USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 559 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 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 171:sc= -0.455 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc=-0.00811 X(o=-0.0081,f=-0.1) USER MOD Single : A 34 CYS SG : rot 11:sc= -1.03 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.525 X(o=-0.52,f=-0.32) USER MOD Single : A 49 SER OG : rot -55:sc= 1.16 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.636 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 68 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.143) USER MOD Single : A 71 HIS : no HD1:sc= -0.175 X(o=-0.18,f=-0.0033) USER MOD Single : A 73 SER OG : rot -150:sc= -1.07 USER MOD Single : A 78 GLN : amide:sc= -2.64 X(o=-2.6,f=-2.2!) USER MOD Single : A 88 GLN : amide:sc= -1.6 K(o=-1.6,f=-3.3!) USER MOD Single : A 91 HIS : no HE2:sc= 0.602 K(o=0.6,f=-2.8!) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 -4.769 -0.950 0.726 1.00 0.00 N ATOM 2 CA MET A 23 -4.183 0.332 1.080 1.00 0.00 C ATOM 3 C MET A 23 -3.091 0.730 0.085 1.00 0.00 C ATOM 4 O MET A 23 -1.951 0.282 0.198 1.00 0.00 O ATOM 5 CB MET A 23 -3.588 0.251 2.487 1.00 0.00 C ATOM 6 CG MET A 23 -4.650 -0.161 3.509 1.00 0.00 C ATOM 7 SD MET A 23 -4.144 -1.654 4.347 1.00 0.00 S ATOM 8 CE MET A 23 -5.741 -2.321 4.783 1.00 0.00 C ATOM 0 HA MET A 23 -4.967 1.089 1.051 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.769 -0.468 2.498 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.167 1.218 2.764 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.799 0.640 4.233 1.00 0.00 H new ATOM 0 HG3 MET A 23 -5.605 -0.321 3.009 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.609 -3.262 5.317 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.269 -1.612 5.421 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.322 -2.497 3.877 1.00 0.00 H new ATOM 18 N SER A 24 -3.478 1.567 -0.866 1.00 0.00 N ATOM 19 CA SER A 24 -2.546 2.030 -1.880 1.00 0.00 C ATOM 20 C SER A 24 -2.183 3.495 -1.627 1.00 0.00 C ATOM 21 O SER A 24 -2.943 4.396 -1.979 1.00 0.00 O ATOM 22 CB SER A 24 -3.130 1.863 -3.283 1.00 0.00 C ATOM 23 OG SER A 24 -4.542 1.668 -3.254 1.00 0.00 O ATOM 0 H SER A 24 -4.424 1.937 -0.956 1.00 0.00 H new ATOM 0 HA SER A 24 -1.643 1.422 -1.817 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.898 2.745 -3.880 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.657 1.013 -3.774 1.00 0.00 H new ATOM 0 HG SER A 24 -4.897 1.711 -4.166 1.00 0.00 H new ATOM 29 N ILE A 25 -1.021 3.688 -1.020 1.00 0.00 N ATOM 30 CA ILE A 25 -0.549 5.028 -0.717 1.00 0.00 C ATOM 31 C ILE A 25 -0.388 5.815 -2.019 1.00 0.00 C ATOM 32 O ILE A 25 0.181 5.312 -2.986 1.00 0.00 O ATOM 33 CB ILE A 25 0.726 4.968 0.127 1.00 0.00 C ATOM 34 CG1 ILE A 25 1.831 4.201 -0.603 1.00 0.00 C ATOM 35 CG2 ILE A 25 0.441 4.384 1.512 1.00 0.00 C ATOM 36 CD1 ILE A 25 2.737 5.155 -1.384 1.00 0.00 C ATOM 0 H ILE A 25 -0.393 2.939 -0.730 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.281 5.562 -0.111 1.00 0.00 H new ATOM 0 HB ILE A 25 1.085 5.986 0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.425 3.638 0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.386 3.476 -1.285 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.364 4.353 2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.289 5.008 2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.045 3.374 1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.513 4.584 -1.893 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.145 5.699 -2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.199 5.863 -0.696 1.00 0.00 H new ATOM 48 N GLU A 26 -0.901 7.036 -2.002 1.00 0.00 N ATOM 49 CA GLU A 26 -0.822 7.898 -3.170 1.00 0.00 C ATOM 50 C GLU A 26 0.117 9.075 -2.898 1.00 0.00 C ATOM 51 O GLU A 26 0.436 9.367 -1.747 1.00 0.00 O ATOM 52 CB GLU A 26 -2.211 8.388 -3.585 1.00 0.00 C ATOM 53 CG GLU A 26 -2.330 8.472 -5.108 1.00 0.00 C ATOM 54 CD GLU A 26 -2.655 9.899 -5.554 1.00 0.00 C ATOM 55 OE1 GLU A 26 -2.123 10.830 -4.911 1.00 0.00 O ATOM 56 OE2 GLU A 26 -3.428 10.027 -6.528 1.00 0.00 O ATOM 0 H GLU A 26 -1.373 7.450 -1.198 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.415 7.318 -3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.971 7.712 -3.194 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.401 9.368 -3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.397 8.147 -5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.109 7.793 -5.454 1.00 0.00 H new ATOM 63 N ILE A 27 0.533 9.720 -3.978 1.00 0.00 N ATOM 64 CA ILE A 27 1.429 10.859 -3.871 1.00 0.00 C ATOM 65 C ILE A 27 0.989 11.943 -4.857 1.00 0.00 C ATOM 66 O ILE A 27 0.326 11.650 -5.852 1.00 0.00 O ATOM 67 CB ILE A 27 2.882 10.416 -4.052 1.00 0.00 C ATOM 68 CG1 ILE A 27 3.052 9.602 -5.336 1.00 0.00 C ATOM 69 CG2 ILE A 27 3.381 9.656 -2.821 1.00 0.00 C ATOM 70 CD1 ILE A 27 2.921 10.494 -6.572 1.00 0.00 C ATOM 0 H ILE A 27 0.266 9.475 -4.932 1.00 0.00 H new ATOM 0 HA ILE A 27 1.375 11.294 -2.873 1.00 0.00 H new ATOM 0 HB ILE A 27 3.501 11.308 -4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.027 9.116 -5.336 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.302 8.812 -5.372 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.416 9.352 -2.976 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.319 10.302 -1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.763 8.772 -2.664 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.046 9.891 -7.471 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.936 10.960 -6.582 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.688 11.268 -6.545 1.00 0.00 H new ATOM 82 N ASP A 28 1.375 13.172 -4.548 1.00 0.00 N ATOM 83 CA ASP A 28 1.029 14.300 -5.394 1.00 0.00 C ATOM 84 C ASP A 28 2.262 15.185 -5.587 1.00 0.00 C ATOM 85 O ASP A 28 2.520 16.080 -4.783 1.00 0.00 O ATOM 86 CB ASP A 28 -0.069 15.153 -4.754 1.00 0.00 C ATOM 87 CG ASP A 28 -1.152 15.643 -5.718 1.00 0.00 C ATOM 88 OD1 ASP A 28 -1.682 16.745 -5.462 1.00 0.00 O ATOM 89 OD2 ASP A 28 -1.424 14.904 -6.688 1.00 0.00 O ATOM 0 H ASP A 28 1.925 13.411 -3.723 1.00 0.00 H new ATOM 0 HA ASP A 28 0.673 13.909 -6.347 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.544 14.573 -3.962 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.394 16.019 -4.281 1.00 0.00 H new ATOM 94 N SER A 29 2.991 14.904 -6.657 1.00 0.00 N ATOM 95 CA SER A 29 4.191 15.663 -6.966 1.00 0.00 C ATOM 96 C SER A 29 3.813 17.055 -7.477 1.00 0.00 C ATOM 97 O SER A 29 4.571 18.009 -7.310 1.00 0.00 O ATOM 98 CB SER A 29 5.053 14.935 -7.998 1.00 0.00 C ATOM 99 OG SER A 29 6.108 14.197 -7.388 1.00 0.00 O ATOM 0 H SER A 29 2.774 14.161 -7.321 1.00 0.00 H new ATOM 0 HA SER A 29 4.776 15.765 -6.052 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.427 14.259 -8.580 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.474 15.660 -8.695 1.00 0.00 H new ATOM 0 HG SER A 29 6.634 13.745 -8.080 1.00 0.00 H new ATOM 105 N GLU A 30 2.640 17.127 -8.091 1.00 0.00 N ATOM 106 CA GLU A 30 2.153 18.386 -8.627 1.00 0.00 C ATOM 107 C GLU A 30 2.185 19.471 -7.549 1.00 0.00 C ATOM 108 O GLU A 30 2.704 20.562 -7.777 1.00 0.00 O ATOM 109 CB GLU A 30 0.744 18.227 -9.204 1.00 0.00 C ATOM 110 CG GLU A 30 0.710 18.618 -10.683 1.00 0.00 C ATOM 111 CD GLU A 30 -0.667 18.342 -11.291 1.00 0.00 C ATOM 112 OE1 GLU A 30 -1.043 17.150 -11.326 1.00 0.00 O ATOM 113 OE2 GLU A 30 -1.312 19.328 -11.707 1.00 0.00 O ATOM 0 H GLU A 30 2.014 16.334 -8.229 1.00 0.00 H new ATOM 0 HA GLU A 30 2.811 18.691 -9.440 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.415 17.194 -9.089 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.045 18.848 -8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.953 19.675 -10.789 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.471 18.060 -11.228 1.00 0.00 H new ATOM 120 N GLN A 31 1.623 19.132 -6.398 1.00 0.00 N ATOM 121 CA GLN A 31 1.581 20.064 -5.283 1.00 0.00 C ATOM 122 C GLN A 31 2.690 19.742 -4.280 1.00 0.00 C ATOM 123 O GLN A 31 3.202 20.635 -3.607 1.00 0.00 O ATOM 124 CB GLN A 31 0.208 20.049 -4.608 1.00 0.00 C ATOM 125 CG GLN A 31 -0.685 21.163 -5.156 1.00 0.00 C ATOM 126 CD GLN A 31 -1.433 21.873 -4.025 1.00 0.00 C ATOM 127 OE1 GLN A 31 -0.847 22.399 -3.093 1.00 0.00 O ATOM 128 NE2 GLN A 31 -2.756 21.859 -4.159 1.00 0.00 N ATOM 0 H GLN A 31 1.193 18.226 -6.213 1.00 0.00 H new ATOM 0 HA GLN A 31 1.748 21.070 -5.668 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.270 19.083 -4.769 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.327 20.170 -3.531 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.078 21.884 -5.704 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.401 20.745 -5.864 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.182 21.401 -4.964 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.345 22.307 -3.456 1.00 0.00 H new ATOM 137 N GLY A 32 3.028 18.462 -4.210 1.00 0.00 N ATOM 138 CA GLY A 32 4.066 18.011 -3.300 1.00 0.00 C ATOM 139 C GLY A 32 3.459 17.379 -2.046 1.00 0.00 C ATOM 140 O GLY A 32 4.148 17.194 -1.044 1.00 0.00 O ATOM 0 H GLY A 32 2.601 17.724 -4.769 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.706 17.286 -3.803 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.698 18.853 -3.018 1.00 0.00 H new ATOM 144 N VAL A 33 2.176 17.063 -2.143 1.00 0.00 N ATOM 145 CA VAL A 33 1.469 16.455 -1.029 1.00 0.00 C ATOM 146 C VAL A 33 1.243 14.971 -1.323 1.00 0.00 C ATOM 147 O VAL A 33 1.215 14.561 -2.482 1.00 0.00 O ATOM 148 CB VAL A 33 0.169 17.215 -0.757 1.00 0.00 C ATOM 149 CG1 VAL A 33 -0.661 16.514 0.320 1.00 0.00 C ATOM 150 CG2 VAL A 33 0.453 18.668 -0.372 1.00 0.00 C ATOM 0 H VAL A 33 1.608 17.217 -2.976 1.00 0.00 H new ATOM 0 HA VAL A 33 2.064 16.519 -0.118 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.414 17.221 -1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.579 17.075 0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.909 15.505 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.087 16.462 1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.488 19.185 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.067 18.693 0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.983 19.163 -1.186 1.00 0.00 H new ATOM 160 N CYS A 34 1.088 14.206 -0.252 1.00 0.00 N ATOM 161 CA CYS A 34 0.867 12.775 -0.380 1.00 0.00 C ATOM 162 C CYS A 34 -0.401 12.414 0.396 1.00 0.00 C ATOM 163 O CYS A 34 -0.658 12.967 1.464 1.00 0.00 O ATOM 164 CB CYS A 34 2.077 11.970 0.097 1.00 0.00 C ATOM 165 SG CYS A 34 2.817 12.766 1.569 1.00 0.00 S ATOM 0 H CYS A 34 1.111 14.550 0.708 1.00 0.00 H new ATOM 0 HA CYS A 34 0.735 12.518 -1.431 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.774 10.951 0.338 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.817 11.903 -0.701 1.00 0.00 H new ATOM 0 HG CYS A 34 2.014 13.686 2.014 1.00 0.00 H new ATOM 171 N SER A 35 -1.161 11.489 -0.171 1.00 0.00 N ATOM 172 CA SER A 35 -2.396 11.048 0.455 1.00 0.00 C ATOM 173 C SER A 35 -2.610 9.555 0.195 1.00 0.00 C ATOM 174 O SER A 35 -2.488 9.095 -0.939 1.00 0.00 O ATOM 175 CB SER A 35 -3.592 11.852 -0.059 1.00 0.00 C ATOM 176 OG SER A 35 -4.086 11.345 -1.295 1.00 0.00 O ATOM 0 H SER A 35 -0.945 11.033 -1.057 1.00 0.00 H new ATOM 0 HA SER A 35 -2.314 11.216 1.529 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.388 11.832 0.685 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.300 12.895 -0.186 1.00 0.00 H new ATOM 0 HG SER A 35 -4.850 11.885 -1.588 1.00 0.00 H new ATOM 182 N VAL A 36 -2.925 8.840 1.265 1.00 0.00 N ATOM 183 CA VAL A 36 -3.157 7.409 1.167 1.00 0.00 C ATOM 184 C VAL A 36 -4.663 7.141 1.148 1.00 0.00 C ATOM 185 O VAL A 36 -5.448 7.957 1.628 1.00 0.00 O ATOM 186 CB VAL A 36 -2.435 6.683 2.304 1.00 0.00 C ATOM 187 CG1 VAL A 36 -2.791 7.296 3.660 1.00 0.00 C ATOM 188 CG2 VAL A 36 -2.745 5.185 2.282 1.00 0.00 C ATOM 0 H VAL A 36 -3.025 9.225 2.204 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.746 7.018 0.236 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.363 6.806 2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.264 6.761 4.451 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.497 8.345 3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.866 7.219 3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.219 4.693 3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.818 5.034 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.418 4.760 1.333 1.00 0.00 H new ATOM 198 N GLU A 37 -5.021 5.995 0.588 1.00 0.00 N ATOM 199 CA GLU A 37 -6.419 5.609 0.500 1.00 0.00 C ATOM 200 C GLU A 37 -6.676 4.352 1.332 1.00 0.00 C ATOM 201 O GLU A 37 -5.926 3.381 1.244 1.00 0.00 O ATOM 202 CB GLU A 37 -6.839 5.398 -0.956 1.00 0.00 C ATOM 203 CG GLU A 37 -6.214 4.124 -1.528 1.00 0.00 C ATOM 204 CD GLU A 37 -5.728 4.348 -2.962 1.00 0.00 C ATOM 205 OE1 GLU A 37 -6.227 3.623 -3.850 1.00 0.00 O ATOM 206 OE2 GLU A 37 -4.868 5.238 -3.137 1.00 0.00 O ATOM 0 H GLU A 37 -4.367 5.321 0.190 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.025 6.419 0.905 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.925 5.334 -1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.535 6.257 -1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.378 3.812 -0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.945 3.316 -1.510 1.00 0.00 H new ATOM 213 N ILE A 38 -7.739 4.410 2.121 1.00 0.00 N ATOM 214 CA ILE A 38 -8.104 3.288 2.969 1.00 0.00 C ATOM 215 C ILE A 38 -9.628 3.149 2.995 1.00 0.00 C ATOM 216 O ILE A 38 -10.290 3.696 3.876 1.00 0.00 O ATOM 217 CB ILE A 38 -7.477 3.438 4.356 1.00 0.00 C ATOM 218 CG1 ILE A 38 -7.157 4.903 4.658 1.00 0.00 C ATOM 219 CG2 ILE A 38 -6.246 2.540 4.501 1.00 0.00 C ATOM 220 CD1 ILE A 38 -7.079 5.148 6.166 1.00 0.00 C ATOM 0 H ILE A 38 -8.359 5.217 2.191 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.705 2.358 2.563 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.205 3.109 5.097 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.210 5.175 4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.923 5.544 4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.819 2.666 5.496 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.536 1.499 4.360 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.505 2.815 3.751 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.850 6.197 6.353 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.035 4.898 6.625 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.296 4.524 6.596 1.00 0.00 H new ATOM 232 N GLU A 39 -10.140 2.414 2.018 1.00 0.00 N ATOM 233 CA GLU A 39 -11.573 2.197 1.918 1.00 0.00 C ATOM 234 C GLU A 39 -12.326 3.511 2.134 1.00 0.00 C ATOM 235 O GLU A 39 -13.482 3.506 2.555 1.00 0.00 O ATOM 236 CB GLU A 39 -12.036 1.129 2.912 1.00 0.00 C ATOM 237 CG GLU A 39 -11.691 1.531 4.348 1.00 0.00 C ATOM 238 CD GLU A 39 -12.323 0.566 5.353 1.00 0.00 C ATOM 239 OE1 GLU A 39 -13.517 0.772 5.664 1.00 0.00 O ATOM 240 OE2 GLU A 39 -11.599 -0.355 5.789 1.00 0.00 O ATOM 0 H GLU A 39 -9.588 1.962 1.289 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.797 1.834 0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.112 0.983 2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.564 0.176 2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.609 1.539 4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.043 2.545 4.540 1.00 0.00 H new ATOM 247 N GLY A 40 -11.640 4.605 1.836 1.00 0.00 N ATOM 248 CA GLY A 40 -12.230 5.923 1.993 1.00 0.00 C ATOM 249 C GLY A 40 -11.147 6.992 2.158 1.00 0.00 C ATOM 250 O GLY A 40 -11.106 7.688 3.171 1.00 0.00 O ATOM 0 H GLY A 40 -10.682 4.605 1.487 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.846 6.155 1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.888 5.930 2.862 1.00 0.00 H new ATOM 254 N SER A 41 -10.296 7.088 1.147 1.00 0.00 N ATOM 255 CA SER A 41 -9.216 8.060 1.167 1.00 0.00 C ATOM 256 C SER A 41 -9.700 9.367 1.798 1.00 0.00 C ATOM 257 O SER A 41 -10.792 9.842 1.490 1.00 0.00 O ATOM 258 CB SER A 41 -8.681 8.318 -0.243 1.00 0.00 C ATOM 259 OG SER A 41 -9.731 8.542 -1.180 1.00 0.00 O ATOM 0 H SER A 41 -10.333 6.508 0.308 1.00 0.00 H new ATOM 0 HA SER A 41 -8.402 7.654 1.767 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.019 9.184 -0.227 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.083 7.466 -0.565 1.00 0.00 H new ATOM 0 HG SER A 41 -9.348 8.704 -2.067 1.00 0.00 H new ATOM 265 N ARG A 42 -8.864 9.911 2.670 1.00 0.00 N ATOM 266 CA ARG A 42 -9.193 11.153 3.347 1.00 0.00 C ATOM 267 C ARG A 42 -8.027 11.600 4.232 1.00 0.00 C ATOM 268 O ARG A 42 -8.230 12.005 5.376 1.00 0.00 O ATOM 269 CB ARG A 42 -10.447 10.996 4.209 1.00 0.00 C ATOM 270 CG ARG A 42 -11.552 11.948 3.748 1.00 0.00 C ATOM 271 CD ARG A 42 -11.637 13.173 4.661 1.00 0.00 C ATOM 272 NE ARG A 42 -12.133 12.775 5.997 1.00 0.00 N ATOM 273 CZ ARG A 42 -12.333 13.630 7.009 1.00 0.00 C ATOM 274 NH1 ARG A 42 -12.081 14.935 6.843 1.00 0.00 N ATOM 275 NH2 ARG A 42 -12.785 13.179 8.188 1.00 0.00 N ATOM 0 H ARG A 42 -7.959 9.514 2.923 1.00 0.00 H new ATOM 0 HA ARG A 42 -9.384 11.906 2.583 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.803 9.967 4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.203 11.195 5.252 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.359 12.266 2.724 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.509 11.426 3.744 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.655 13.638 4.752 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.303 13.917 4.224 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.335 11.788 6.158 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.737 15.278 5.946 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.233 15.586 7.613 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.977 12.185 8.314 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.937 13.830 8.959 1.00 0.00 H new ATOM 289 N HIS A 43 -6.831 11.512 3.669 1.00 0.00 N ATOM 290 CA HIS A 43 -5.633 11.903 4.392 1.00 0.00 C ATOM 291 C HIS A 43 -4.923 13.030 3.640 1.00 0.00 C ATOM 292 O HIS A 43 -5.407 13.493 2.608 1.00 0.00 O ATOM 293 CB HIS A 43 -4.728 10.693 4.638 1.00 0.00 C ATOM 294 CG HIS A 43 -3.948 10.762 5.929 1.00 0.00 C ATOM 295 ND1 HIS A 43 -2.626 10.365 6.028 1.00 0.00 N ATOM 296 CD2 HIS A 43 -4.317 11.187 7.172 1.00 0.00 C ATOM 297 CE1 HIS A 43 -2.228 10.545 7.279 1.00 0.00 C ATOM 298 NE2 HIS A 43 -3.277 11.054 7.986 1.00 0.00 N ATOM 0 H HIS A 43 -6.666 11.176 2.720 1.00 0.00 H new ATOM 0 HA HIS A 43 -5.907 12.286 5.375 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.339 9.790 4.642 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.028 10.601 3.807 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.290 11.567 7.447 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.245 10.327 7.670 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -3.265 11.293 8.977 1.00 0.00 H new ATOM 306 N ARG A 44 -3.788 13.440 4.185 1.00 0.00 N ATOM 307 CA ARG A 44 -3.007 14.504 3.579 1.00 0.00 C ATOM 308 C ARG A 44 -1.779 14.817 4.437 1.00 0.00 C ATOM 309 O ARG A 44 -1.902 15.064 5.636 1.00 0.00 O ATOM 310 CB ARG A 44 -3.843 15.775 3.414 1.00 0.00 C ATOM 311 CG ARG A 44 -3.409 16.559 2.173 1.00 0.00 C ATOM 312 CD ARG A 44 -4.622 16.994 1.348 1.00 0.00 C ATOM 313 NE ARG A 44 -4.797 18.461 1.441 1.00 0.00 N ATOM 314 CZ ARG A 44 -5.370 19.085 2.479 1.00 0.00 C ATOM 315 NH1 ARG A 44 -5.827 18.374 3.519 1.00 0.00 N ATOM 316 NH2 ARG A 44 -5.487 20.420 2.477 1.00 0.00 N ATOM 0 H ARG A 44 -3.390 13.054 5.041 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.688 14.162 2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.898 15.513 3.333 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.738 16.402 4.300 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.836 17.436 2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.750 15.943 1.561 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.488 16.701 0.307 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.518 16.489 1.709 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.460 19.033 0.666 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.739 17.358 3.520 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.263 18.849 4.309 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.140 20.961 1.685 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.923 20.895 3.267 1.00 0.00 H new ATOM 330 N ALA A 45 -0.623 14.798 3.789 1.00 0.00 N ATOM 331 CA ALA A 45 0.625 15.076 4.478 1.00 0.00 C ATOM 332 C ALA A 45 1.682 15.501 3.457 1.00 0.00 C ATOM 333 O ALA A 45 1.554 15.210 2.268 1.00 0.00 O ATOM 334 CB ALA A 45 1.051 13.846 5.281 1.00 0.00 C ATOM 0 H ALA A 45 -0.525 14.594 2.794 1.00 0.00 H new ATOM 0 HA ALA A 45 0.499 15.897 5.184 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.988 14.055 5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.280 13.604 6.012 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.190 13.001 4.606 1.00 0.00 H new ATOM 340 N PRO A 46 2.730 16.199 3.970 1.00 0.00 N ATOM 341 CA PRO A 46 3.809 16.667 3.116 1.00 0.00 C ATOM 342 C PRO A 46 4.730 15.512 2.716 1.00 0.00 C ATOM 343 O PRO A 46 5.126 14.708 3.558 1.00 0.00 O ATOM 344 CB PRO A 46 4.518 17.738 3.929 1.00 0.00 C ATOM 345 CG PRO A 46 4.105 17.507 5.373 1.00 0.00 C ATOM 346 CD PRO A 46 2.915 16.562 5.373 1.00 0.00 C ATOM 0 HA PRO A 46 3.451 17.075 2.171 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.599 17.663 3.815 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.231 18.735 3.596 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.931 17.081 5.942 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.843 18.451 5.850 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.108 15.683 5.988 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.026 17.045 5.778 1.00 0.00 H new ATOM 354 N VAL A 47 5.044 15.468 1.429 1.00 0.00 N ATOM 355 CA VAL A 47 5.912 14.425 0.907 1.00 0.00 C ATOM 356 C VAL A 47 7.288 14.535 1.567 1.00 0.00 C ATOM 357 O VAL A 47 8.004 13.542 1.685 1.00 0.00 O ATOM 358 CB VAL A 47 5.972 14.511 -0.620 1.00 0.00 C ATOM 359 CG1 VAL A 47 7.108 13.649 -1.173 1.00 0.00 C ATOM 360 CG2 VAL A 47 4.632 14.119 -1.244 1.00 0.00 C ATOM 0 H VAL A 47 4.714 16.137 0.733 1.00 0.00 H new ATOM 0 HA VAL A 47 5.514 13.439 1.149 1.00 0.00 H new ATOM 0 HB VAL A 47 6.176 15.547 -0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.129 13.728 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.058 13.995 -0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.948 12.609 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.702 14.189 -2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.384 13.096 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.853 14.793 -0.887 1.00 0.00 H new ATOM 370 N ASP A 48 7.616 15.750 1.979 1.00 0.00 N ATOM 371 CA ASP A 48 8.894 16.002 2.623 1.00 0.00 C ATOM 372 C ASP A 48 8.853 15.464 4.055 1.00 0.00 C ATOM 373 O ASP A 48 9.850 15.521 4.772 1.00 0.00 O ATOM 374 CB ASP A 48 9.191 17.502 2.691 1.00 0.00 C ATOM 375 CG ASP A 48 8.196 18.321 3.515 1.00 0.00 C ATOM 376 OD1 ASP A 48 7.615 19.262 2.932 1.00 0.00 O ATOM 377 OD2 ASP A 48 8.040 17.989 4.710 1.00 0.00 O ATOM 0 H ASP A 48 7.019 16.571 1.880 1.00 0.00 H new ATOM 0 HA ASP A 48 9.669 15.507 2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.188 17.641 3.110 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.213 17.899 1.676 1.00 0.00 H new ATOM 382 N SER A 49 7.689 14.953 4.428 1.00 0.00 N ATOM 383 CA SER A 49 7.504 14.404 5.761 1.00 0.00 C ATOM 384 C SER A 49 7.202 12.907 5.673 1.00 0.00 C ATOM 385 O SER A 49 6.420 12.381 6.464 1.00 0.00 O ATOM 386 CB SER A 49 6.382 15.130 6.505 1.00 0.00 C ATOM 387 OG SER A 49 6.059 14.493 7.738 1.00 0.00 O ATOM 0 H SER A 49 6.864 14.907 3.830 1.00 0.00 H new ATOM 0 HA SER A 49 8.427 14.549 6.322 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.682 16.160 6.697 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.494 15.169 5.874 1.00 0.00 H new ATOM 0 HG SER A 49 5.848 13.550 7.574 1.00 0.00 H new ATOM 393 N LEU A 50 7.836 12.263 4.705 1.00 0.00 N ATOM 394 CA LEU A 50 7.645 10.837 4.504 1.00 0.00 C ATOM 395 C LEU A 50 8.875 10.084 5.013 1.00 0.00 C ATOM 396 O LEU A 50 9.921 10.687 5.252 1.00 0.00 O ATOM 397 CB LEU A 50 7.305 10.543 3.041 1.00 0.00 C ATOM 398 CG LEU A 50 5.922 10.994 2.570 1.00 0.00 C ATOM 399 CD1 LEU A 50 5.849 11.033 1.042 1.00 0.00 C ATOM 400 CD2 LEU A 50 4.823 10.116 3.173 1.00 0.00 C ATOM 0 H LEU A 50 8.483 12.703 4.051 1.00 0.00 H new ATOM 0 HA LEU A 50 6.793 10.482 5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.055 11.021 2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.390 9.469 2.878 1.00 0.00 H new ATOM 0 HG LEU A 50 5.755 12.010 2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.855 11.357 0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.593 11.732 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.047 10.038 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.850 10.459 2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.975 9.081 2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.860 10.182 4.260 1.00 0.00 H new ATOM 412 N ARG A 51 8.711 8.778 5.164 1.00 0.00 N ATOM 413 CA ARG A 51 9.795 7.937 5.641 1.00 0.00 C ATOM 414 C ARG A 51 9.521 6.472 5.298 1.00 0.00 C ATOM 415 O ARG A 51 8.426 5.968 5.543 1.00 0.00 O ATOM 416 CB ARG A 51 9.975 8.075 7.154 1.00 0.00 C ATOM 417 CG ARG A 51 11.097 7.165 7.658 1.00 0.00 C ATOM 418 CD ARG A 51 12.461 7.842 7.509 1.00 0.00 C ATOM 419 NE ARG A 51 13.169 7.844 8.809 1.00 0.00 N ATOM 420 CZ ARG A 51 12.927 8.719 9.795 1.00 0.00 C ATOM 421 NH1 ARG A 51 11.993 9.667 9.635 1.00 0.00 N ATOM 422 NH2 ARG A 51 13.618 8.646 10.940 1.00 0.00 N ATOM 0 H ARG A 51 7.843 8.281 4.964 1.00 0.00 H new ATOM 0 HA ARG A 51 10.710 8.264 5.147 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.203 9.111 7.404 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.043 7.823 7.659 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.924 6.914 8.705 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.089 6.229 7.100 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.057 7.318 6.762 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.332 8.864 7.154 1.00 0.00 H new ATOM 0 HE ARG A 51 13.886 7.135 8.964 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.467 9.722 8.763 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.809 10.333 10.385 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.329 7.924 11.062 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.434 9.312 11.690 1.00 0.00 H new ATOM 436 N ILE A 52 10.534 5.829 4.736 1.00 0.00 N ATOM 437 CA ILE A 52 10.415 4.431 4.357 1.00 0.00 C ATOM 438 C ILE A 52 11.210 3.571 5.342 1.00 0.00 C ATOM 439 O ILE A 52 12.290 3.962 5.781 1.00 0.00 O ATOM 440 CB ILE A 52 10.828 4.235 2.897 1.00 0.00 C ATOM 441 CG1 ILE A 52 9.920 5.031 1.959 1.00 0.00 C ATOM 442 CG2 ILE A 52 10.868 2.749 2.533 1.00 0.00 C ATOM 443 CD1 ILE A 52 9.886 4.403 0.564 1.00 0.00 C ATOM 0 H ILE A 52 11.441 6.250 4.534 1.00 0.00 H new ATOM 0 HA ILE A 52 9.376 4.107 4.416 1.00 0.00 H new ATOM 0 HB ILE A 52 11.839 4.624 2.773 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.911 5.069 2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.275 6.059 1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 52 11.164 2.638 1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.588 2.237 3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.880 2.312 2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.233 4.989 -0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 52 10.893 4.389 0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.508 3.383 0.633 1.00 0.00 H new ATOM 455 N GLY A 53 10.644 2.416 5.660 1.00 0.00 N ATOM 456 CA GLY A 53 11.286 1.497 6.584 1.00 0.00 C ATOM 457 C GLY A 53 11.016 0.044 6.189 1.00 0.00 C ATOM 458 O GLY A 53 10.200 -0.223 5.309 1.00 0.00 O ATOM 0 H GLY A 53 9.747 2.096 5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.360 1.680 6.597 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.920 1.677 7.595 1.00 0.00 H new ATOM 462 N THR A 54 11.718 -0.858 6.860 1.00 0.00 N ATOM 463 CA THR A 54 11.565 -2.278 6.590 1.00 0.00 C ATOM 464 C THR A 54 11.171 -3.024 7.866 1.00 0.00 C ATOM 465 O THR A 54 11.733 -2.777 8.932 1.00 0.00 O ATOM 466 CB THR A 54 12.867 -2.784 5.967 1.00 0.00 C ATOM 467 OG1 THR A 54 13.055 -1.950 4.827 1.00 0.00 O ATOM 468 CG2 THR A 54 12.727 -4.190 5.380 1.00 0.00 C ATOM 0 H THR A 54 12.394 -0.633 7.590 1.00 0.00 H new ATOM 0 HA THR A 54 10.757 -2.461 5.882 1.00 0.00 H new ATOM 0 HB THR A 54 13.654 -2.781 6.721 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.879 -2.209 4.364 1.00 0.00 H new ATOM 0 HG21 THR A 54 13.679 -4.501 4.951 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.439 -4.886 6.168 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.963 -4.185 4.603 1.00 0.00 H new ATOM 476 N ASP A 55 10.208 -3.921 7.716 1.00 0.00 N ATOM 477 CA ASP A 55 9.732 -4.705 8.843 1.00 0.00 C ATOM 478 C ASP A 55 10.426 -6.068 8.840 1.00 0.00 C ATOM 479 O ASP A 55 10.074 -6.946 8.053 1.00 0.00 O ATOM 480 CB ASP A 55 8.223 -4.941 8.752 1.00 0.00 C ATOM 481 CG ASP A 55 7.416 -4.434 9.949 1.00 0.00 C ATOM 482 OD1 ASP A 55 6.543 -5.200 10.410 1.00 0.00 O ATOM 483 OD2 ASP A 55 7.690 -3.291 10.375 1.00 0.00 O ATOM 0 H ASP A 55 9.744 -4.123 6.830 1.00 0.00 H new ATOM 0 HA ASP A 55 9.956 -4.153 9.756 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.849 -4.458 7.850 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.044 -6.010 8.639 1.00 0.00 H new ATOM 488 N ALA A 56 11.399 -6.204 9.728 1.00 0.00 N ATOM 489 CA ALA A 56 12.146 -7.446 9.837 1.00 0.00 C ATOM 490 C ALA A 56 11.211 -8.556 10.322 1.00 0.00 C ATOM 491 O ALA A 56 11.569 -9.733 10.286 1.00 0.00 O ATOM 492 CB ALA A 56 13.342 -7.243 10.769 1.00 0.00 C ATOM 0 H ALA A 56 11.688 -5.474 10.379 1.00 0.00 H new ATOM 0 HA ALA A 56 12.538 -7.745 8.865 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.902 -8.175 10.851 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.990 -6.464 10.366 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.988 -6.945 11.756 1.00 0.00 H new ATOM 498 N GLU A 57 10.032 -8.143 10.763 1.00 0.00 N ATOM 499 CA GLU A 57 9.044 -9.088 11.253 1.00 0.00 C ATOM 500 C GLU A 57 8.602 -10.026 10.128 1.00 0.00 C ATOM 501 O GLU A 57 8.394 -11.217 10.354 1.00 0.00 O ATOM 502 CB GLU A 57 7.844 -8.360 11.863 1.00 0.00 C ATOM 503 CG GLU A 57 7.484 -8.945 13.230 1.00 0.00 C ATOM 504 CD GLU A 57 6.296 -9.903 13.121 1.00 0.00 C ATOM 505 OE1 GLU A 57 6.362 -10.792 12.246 1.00 0.00 O ATOM 506 OE2 GLU A 57 5.348 -9.724 13.916 1.00 0.00 O ATOM 0 H GLU A 57 9.739 -7.166 10.791 1.00 0.00 H new ATOM 0 HA GLU A 57 9.502 -9.687 12.040 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.072 -7.299 11.966 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.988 -8.438 11.193 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.344 -9.472 13.642 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.243 -8.139 13.923 1.00 0.00 H new ATOM 513 N ALA A 58 8.471 -9.454 8.941 1.00 0.00 N ATOM 514 CA ALA A 58 8.058 -10.224 7.780 1.00 0.00 C ATOM 515 C ALA A 58 8.976 -9.895 6.602 1.00 0.00 C ATOM 516 O ALA A 58 8.708 -10.296 5.470 1.00 0.00 O ATOM 517 CB ALA A 58 6.587 -9.933 7.472 1.00 0.00 C ATOM 0 H ALA A 58 8.644 -8.466 8.758 1.00 0.00 H new ATOM 0 HA ALA A 58 8.145 -11.292 7.977 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.277 -10.510 6.601 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.974 -10.211 8.329 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.462 -8.870 7.266 1.00 0.00 H new ATOM 523 N ARG A 59 10.041 -9.168 6.907 1.00 0.00 N ATOM 524 CA ARG A 59 11.001 -8.781 5.888 1.00 0.00 C ATOM 525 C ARG A 59 10.290 -8.078 4.730 1.00 0.00 C ATOM 526 O ARG A 59 10.459 -8.456 3.571 1.00 0.00 O ATOM 527 CB ARG A 59 11.755 -9.999 5.350 1.00 0.00 C ATOM 528 CG ARG A 59 12.555 -10.683 6.460 1.00 0.00 C ATOM 529 CD ARG A 59 13.977 -11.002 5.995 1.00 0.00 C ATOM 530 NE ARG A 59 14.891 -9.901 6.370 1.00 0.00 N ATOM 531 CZ ARG A 59 16.227 -10.002 6.373 1.00 0.00 C ATOM 532 NH1 ARG A 59 16.813 -11.154 6.021 1.00 0.00 N ATOM 533 NH2 ARG A 59 16.978 -8.950 6.728 1.00 0.00 N ATOM 0 H ARG A 59 10.260 -8.837 7.846 1.00 0.00 H new ATOM 0 HA ARG A 59 11.716 -8.099 6.348 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.048 -10.707 4.917 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.427 -9.690 4.549 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.592 -10.037 7.337 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.053 -11.602 6.762 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.315 -11.935 6.445 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.992 -11.146 4.915 1.00 0.00 H new ATOM 0 HE ARG A 59 14.478 -9.009 6.643 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.242 -11.955 5.751 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.830 -11.230 6.023 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.532 -8.072 6.996 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.995 -9.027 6.730 1.00 0.00 H new ATOM 547 N LEU A 60 9.510 -7.066 5.083 1.00 0.00 N ATOM 548 CA LEU A 60 8.774 -6.307 4.087 1.00 0.00 C ATOM 549 C LEU A 60 9.012 -4.812 4.313 1.00 0.00 C ATOM 550 O LEU A 60 9.439 -4.404 5.392 1.00 0.00 O ATOM 551 CB LEU A 60 7.296 -6.702 4.098 1.00 0.00 C ATOM 552 CG LEU A 60 6.985 -8.148 3.705 1.00 0.00 C ATOM 553 CD1 LEU A 60 5.484 -8.431 3.800 1.00 0.00 C ATOM 554 CD2 LEU A 60 7.543 -8.471 2.318 1.00 0.00 C ATOM 0 H LEU A 60 9.372 -6.755 6.045 1.00 0.00 H new ATOM 0 HA LEU A 60 9.136 -6.540 3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.901 -6.525 5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.758 -6.039 3.421 1.00 0.00 H new ATOM 0 HG LEU A 60 7.483 -8.810 4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.290 -9.465 3.516 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.147 -8.267 4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.945 -7.763 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.308 -9.504 2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.095 -7.805 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.624 -8.334 2.320 1.00 0.00 H new ATOM 566 N SER A 61 8.727 -4.037 3.277 1.00 0.00 N ATOM 567 CA SER A 61 8.905 -2.597 3.349 1.00 0.00 C ATOM 568 C SER A 61 7.641 -1.940 3.906 1.00 0.00 C ATOM 569 O SER A 61 6.528 -2.339 3.565 1.00 0.00 O ATOM 570 CB SER A 61 9.245 -2.015 1.975 1.00 0.00 C ATOM 571 OG SER A 61 10.433 -2.584 1.433 1.00 0.00 O ATOM 0 H SER A 61 8.374 -4.379 2.383 1.00 0.00 H new ATOM 0 HA SER A 61 9.739 -2.389 4.019 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.414 -2.191 1.291 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.366 -0.935 2.059 1.00 0.00 H new ATOM 0 HG SER A 61 10.615 -2.188 0.555 1.00 0.00 H new ATOM 577 N VAL A 62 7.854 -0.944 4.753 1.00 0.00 N ATOM 578 CA VAL A 62 6.745 -0.228 5.360 1.00 0.00 C ATOM 579 C VAL A 62 6.876 1.265 5.050 1.00 0.00 C ATOM 580 O VAL A 62 7.884 1.701 4.497 1.00 0.00 O ATOM 581 CB VAL A 62 6.689 -0.524 6.860 1.00 0.00 C ATOM 582 CG1 VAL A 62 6.129 -1.923 7.122 1.00 0.00 C ATOM 583 CG2 VAL A 62 8.067 -0.355 7.504 1.00 0.00 C ATOM 0 H VAL A 62 8.778 -0.616 5.033 1.00 0.00 H new ATOM 0 HA VAL A 62 5.797 -0.565 4.940 1.00 0.00 H new ATOM 0 HB VAL A 62 6.014 0.198 7.319 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.100 -2.108 8.196 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.121 -1.994 6.714 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.767 -2.666 6.643 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.999 -0.571 8.570 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.773 -1.043 7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.411 0.669 7.363 1.00 0.00 H new ATOM 593 N LEU A 63 5.842 2.007 5.419 1.00 0.00 N ATOM 594 CA LEU A 63 5.829 3.441 5.188 1.00 0.00 C ATOM 595 C LEU A 63 5.358 4.154 6.457 1.00 0.00 C ATOM 596 O LEU A 63 4.489 3.653 7.168 1.00 0.00 O ATOM 597 CB LEU A 63 4.996 3.776 3.949 1.00 0.00 C ATOM 598 CG LEU A 63 4.466 5.209 3.864 1.00 0.00 C ATOM 599 CD1 LEU A 63 3.400 5.464 4.932 1.00 0.00 C ATOM 600 CD2 LEU A 63 5.610 6.222 3.943 1.00 0.00 C ATOM 0 H LEU A 63 5.007 1.641 5.877 1.00 0.00 H new ATOM 0 HA LEU A 63 6.835 3.802 4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.602 3.581 3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.147 3.093 3.911 1.00 0.00 H new ATOM 0 HG LEU A 63 3.987 5.339 2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.040 6.490 4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.568 4.775 4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.831 5.309 5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.206 7.232 3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.139 6.101 4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.301 6.056 3.117 1.00 0.00 H new ATOM 612 N TYR A 64 5.954 5.312 6.702 1.00 0.00 N ATOM 613 CA TYR A 64 5.606 6.099 7.873 1.00 0.00 C ATOM 614 C TYR A 64 5.060 7.470 7.470 1.00 0.00 C ATOM 615 O TYR A 64 5.621 8.134 6.599 1.00 0.00 O ATOM 616 CB TYR A 64 6.908 6.291 8.653 1.00 0.00 C ATOM 617 CG TYR A 64 7.187 5.191 9.679 1.00 0.00 C ATOM 618 CD1 TYR A 64 6.878 5.393 11.009 1.00 0.00 C ATOM 619 CD2 TYR A 64 7.747 3.996 9.275 1.00 0.00 C ATOM 620 CE1 TYR A 64 7.140 4.357 11.974 1.00 0.00 C ATOM 621 CE2 TYR A 64 8.009 2.960 10.240 1.00 0.00 C ATOM 622 CZ TYR A 64 7.693 3.192 11.542 1.00 0.00 C ATOM 623 OH TYR A 64 7.941 2.214 12.454 1.00 0.00 O ATOM 0 H TYR A 64 6.675 5.724 6.110 1.00 0.00 H new ATOM 0 HA TYR A 64 4.837 5.596 8.459 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.738 6.335 7.948 1.00 0.00 H new ATOM 0 HB3 TYR A 64 6.874 7.252 9.166 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.440 6.328 11.326 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.989 3.838 8.234 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.903 4.502 13.018 1.00 0.00 H new ATOM 0 HE2 TYR A 64 8.446 2.020 9.937 1.00 0.00 H new ATOM 0 HH TYR A 64 8.336 1.439 12.003 1.00 0.00 H new ATOM 633 N ILE A 65 3.972 7.854 8.122 1.00 0.00 N ATOM 634 CA ILE A 65 3.344 9.134 7.842 1.00 0.00 C ATOM 635 C ILE A 65 2.513 9.564 9.052 1.00 0.00 C ATOM 636 O ILE A 65 1.440 9.015 9.300 1.00 0.00 O ATOM 637 CB ILE A 65 2.545 9.065 6.539 1.00 0.00 C ATOM 638 CG1 ILE A 65 1.955 10.432 6.185 1.00 0.00 C ATOM 639 CG2 ILE A 65 1.470 7.978 6.613 1.00 0.00 C ATOM 640 CD1 ILE A 65 1.283 10.399 4.811 1.00 0.00 C ATOM 0 H ILE A 65 3.509 7.301 8.843 1.00 0.00 H new ATOM 0 HA ILE A 65 4.100 9.904 7.684 1.00 0.00 H new ATOM 0 HB ILE A 65 3.226 8.790 5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.228 10.726 6.942 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.743 11.185 6.191 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.916 7.949 5.675 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.942 7.011 6.785 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.785 8.199 7.432 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.872 11.382 4.583 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.018 10.129 4.053 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.480 9.662 4.816 1.00 0.00 H new ATOM 652 N ASP A 66 3.040 10.543 9.774 1.00 0.00 N ATOM 653 CA ASP A 66 2.360 11.053 10.952 1.00 0.00 C ATOM 654 C ASP A 66 2.592 10.097 12.124 1.00 0.00 C ATOM 655 O ASP A 66 1.727 9.943 12.985 1.00 0.00 O ATOM 656 CB ASP A 66 0.851 11.154 10.717 1.00 0.00 C ATOM 657 CG ASP A 66 0.156 12.298 11.458 1.00 0.00 C ATOM 658 OD1 ASP A 66 -0.217 13.274 10.773 1.00 0.00 O ATOM 659 OD2 ASP A 66 0.014 12.170 12.693 1.00 0.00 O ATOM 0 H ASP A 66 3.930 10.996 9.565 1.00 0.00 H new ATOM 0 HA ASP A 66 2.759 12.044 11.168 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.672 11.272 9.648 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.388 10.213 11.016 1.00 0.00 H new ATOM 664 N GLY A 67 3.765 9.481 12.119 1.00 0.00 N ATOM 665 CA GLY A 67 4.122 8.545 13.171 1.00 0.00 C ATOM 666 C GLY A 67 3.261 7.282 13.098 1.00 0.00 C ATOM 667 O GLY A 67 2.776 6.797 14.119 1.00 0.00 O ATOM 0 H GLY A 67 4.480 9.612 11.403 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.175 8.277 13.082 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.995 9.020 14.144 1.00 0.00 H new ATOM 671 N LYS A 68 3.097 6.787 11.880 1.00 0.00 N ATOM 672 CA LYS A 68 2.302 5.590 11.660 1.00 0.00 C ATOM 673 C LYS A 68 3.201 4.480 11.111 1.00 0.00 C ATOM 674 O LYS A 68 4.363 4.721 10.787 1.00 0.00 O ATOM 675 CB LYS A 68 1.098 5.903 10.770 1.00 0.00 C ATOM 676 CG LYS A 68 1.490 5.888 9.291 1.00 0.00 C ATOM 677 CD LYS A 68 0.687 4.837 8.522 1.00 0.00 C ATOM 678 CE LYS A 68 -0.814 5.011 8.760 1.00 0.00 C ATOM 679 NZ LYS A 68 -1.395 3.774 9.327 1.00 0.00 N ATOM 0 H LYS A 68 3.501 7.192 11.036 1.00 0.00 H new ATOM 0 HA LYS A 68 1.888 5.229 12.601 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.310 5.172 10.948 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.692 6.880 11.032 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.318 6.872 8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.555 5.679 9.196 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.902 4.918 7.456 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.995 3.839 8.834 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.986 5.846 9.440 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.311 5.256 7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.364 3.964 9.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.416 3.034 8.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.815 3.454 10.128 1.00 0.00 H new ATOM 693 N ARG A 69 2.628 3.289 11.022 1.00 0.00 N ATOM 694 CA ARG A 69 3.363 2.141 10.518 1.00 0.00 C ATOM 695 C ARG A 69 2.406 1.147 9.856 1.00 0.00 C ATOM 696 O ARG A 69 1.614 0.496 10.536 1.00 0.00 O ATOM 697 CB ARG A 69 4.122 1.435 11.643 1.00 0.00 C ATOM 698 CG ARG A 69 5.416 0.807 11.121 1.00 0.00 C ATOM 699 CD ARG A 69 5.136 -0.530 10.430 1.00 0.00 C ATOM 700 NE ARG A 69 5.976 -1.593 11.026 1.00 0.00 N ATOM 701 CZ ARG A 69 5.667 -2.252 12.151 1.00 0.00 C ATOM 702 NH1 ARG A 69 4.537 -1.962 12.809 1.00 0.00 N ATOM 703 NH2 ARG A 69 6.489 -3.202 12.617 1.00 0.00 N ATOM 0 H ARG A 69 1.663 3.094 11.290 1.00 0.00 H new ATOM 0 HA ARG A 69 4.081 2.504 9.783 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.353 2.148 12.434 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.491 0.663 12.084 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.899 1.489 10.421 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.110 0.655 11.948 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.082 -0.788 10.532 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.342 -0.448 9.363 1.00 0.00 H new ATOM 0 HE ARG A 69 6.844 -1.839 10.551 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.911 -1.239 12.454 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.302 -2.464 13.665 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.349 -3.423 12.115 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.255 -3.704 13.473 1.00 0.00 H new ATOM 717 N LEU A 70 2.511 1.062 8.538 1.00 0.00 N ATOM 718 CA LEU A 70 1.665 0.159 7.777 1.00 0.00 C ATOM 719 C LEU A 70 2.461 -0.408 6.600 1.00 0.00 C ATOM 720 O LEU A 70 3.571 0.042 6.322 1.00 0.00 O ATOM 721 CB LEU A 70 0.369 0.859 7.363 1.00 0.00 C ATOM 722 CG LEU A 70 0.317 1.378 5.924 1.00 0.00 C ATOM 723 CD1 LEU A 70 -0.518 0.452 5.038 1.00 0.00 C ATOM 724 CD2 LEU A 70 -0.186 2.822 5.880 1.00 0.00 C ATOM 0 H LEU A 70 3.169 1.604 7.978 1.00 0.00 H new ATOM 0 HA LEU A 70 1.360 -0.687 8.393 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.458 0.164 7.508 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.202 1.699 8.037 1.00 0.00 H new ATOM 0 HG LEU A 70 1.331 1.379 5.523 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.539 0.843 4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.076 -0.544 5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.535 0.396 5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.213 3.166 4.846 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.188 2.871 6.306 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.485 3.459 6.457 1.00 0.00 H new ATOM 736 N HIS A 71 1.861 -1.388 5.939 1.00 0.00 N ATOM 737 CA HIS A 71 2.500 -2.021 4.798 1.00 0.00 C ATOM 738 C HIS A 71 1.931 -1.439 3.502 1.00 0.00 C ATOM 739 O HIS A 71 0.727 -1.517 3.259 1.00 0.00 O ATOM 740 CB HIS A 71 2.365 -3.543 4.874 1.00 0.00 C ATOM 741 CG HIS A 71 3.096 -4.167 6.038 1.00 0.00 C ATOM 742 ND1 HIS A 71 3.980 -5.221 5.890 1.00 0.00 N ATOM 743 CD2 HIS A 71 3.066 -3.874 7.370 1.00 0.00 C ATOM 744 CE1 HIS A 71 4.454 -5.541 7.085 1.00 0.00 C ATOM 745 NE2 HIS A 71 3.886 -4.705 8.001 1.00 0.00 N ATOM 0 H HIS A 71 0.940 -1.759 6.172 1.00 0.00 H new ATOM 0 HA HIS A 71 3.569 -1.808 4.812 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.308 -3.801 4.942 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.740 -3.977 3.947 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.475 -3.097 7.833 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.165 -6.326 7.297 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.062 -4.717 9.006 1.00 0.00 H new ATOM 753 N ILE A 72 2.822 -0.869 2.705 1.00 0.00 N ATOM 754 CA ILE A 72 2.423 -0.274 1.441 1.00 0.00 C ATOM 755 C ILE A 72 3.009 -1.094 0.289 1.00 0.00 C ATOM 756 O ILE A 72 3.888 -1.928 0.500 1.00 0.00 O ATOM 757 CB ILE A 72 2.808 1.206 1.400 1.00 0.00 C ATOM 758 CG1 ILE A 72 4.326 1.376 1.310 1.00 0.00 C ATOM 759 CG2 ILE A 72 2.216 1.960 2.592 1.00 0.00 C ATOM 760 CD1 ILE A 72 4.692 2.754 0.757 1.00 0.00 C ATOM 0 H ILE A 72 3.819 -0.806 2.910 1.00 0.00 H new ATOM 0 HA ILE A 72 1.339 -0.300 1.333 1.00 0.00 H new ATOM 0 HB ILE A 72 2.381 1.645 0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.769 1.247 2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.745 0.600 0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.505 3.010 2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.129 1.881 2.569 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.592 1.527 3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.777 2.848 0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.268 2.870 -0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.293 3.527 1.413 1.00 0.00 H new ATOM 772 N SER A 73 2.497 -0.829 -0.904 1.00 0.00 N ATOM 773 CA SER A 73 2.958 -1.531 -2.089 1.00 0.00 C ATOM 774 C SER A 73 4.419 -1.175 -2.373 1.00 0.00 C ATOM 775 O SER A 73 4.871 -0.081 -2.039 1.00 0.00 O ATOM 776 CB SER A 73 2.086 -1.199 -3.301 1.00 0.00 C ATOM 777 OG SER A 73 2.827 -0.549 -4.330 1.00 0.00 O ATOM 0 H SER A 73 1.767 -0.137 -1.075 1.00 0.00 H new ATOM 0 HA SER A 73 2.881 -2.602 -1.903 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.647 -2.116 -3.694 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.260 -0.559 -2.989 1.00 0.00 H new ATOM 0 HG SER A 73 2.235 0.049 -4.832 1.00 0.00 H new ATOM 783 N GLU A 74 5.117 -2.120 -2.987 1.00 0.00 N ATOM 784 CA GLU A 74 6.517 -1.920 -3.320 1.00 0.00 C ATOM 785 C GLU A 74 6.673 -0.719 -4.255 1.00 0.00 C ATOM 786 O GLU A 74 7.400 0.224 -3.944 1.00 0.00 O ATOM 787 CB GLU A 74 7.118 -3.181 -3.942 1.00 0.00 C ATOM 788 CG GLU A 74 8.147 -3.818 -3.005 1.00 0.00 C ATOM 789 CD GLU A 74 8.671 -5.135 -3.580 1.00 0.00 C ATOM 790 OE1 GLU A 74 9.320 -5.071 -4.647 1.00 0.00 O ATOM 791 OE2 GLU A 74 8.411 -6.177 -2.940 1.00 0.00 O ATOM 0 H GLU A 74 4.739 -3.026 -3.262 1.00 0.00 H new ATOM 0 HA GLU A 74 7.064 -1.713 -2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.325 -3.897 -4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.591 -2.932 -4.892 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.977 -3.129 -2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.694 -3.997 -2.030 1.00 0.00 H new ATOM 798 N GLU A 75 5.980 -0.792 -5.381 1.00 0.00 N ATOM 799 CA GLU A 75 6.033 0.277 -6.364 1.00 0.00 C ATOM 800 C GLU A 75 5.639 1.608 -5.721 1.00 0.00 C ATOM 801 O GLU A 75 6.276 2.632 -5.963 1.00 0.00 O ATOM 802 CB GLU A 75 5.140 -0.038 -7.565 1.00 0.00 C ATOM 803 CG GLU A 75 3.683 -0.214 -7.134 1.00 0.00 C ATOM 804 CD GLU A 75 2.798 -0.573 -8.329 1.00 0.00 C ATOM 805 OE1 GLU A 75 1.875 0.221 -8.612 1.00 0.00 O ATOM 806 OE2 GLU A 75 3.063 -1.635 -8.934 1.00 0.00 O ATOM 0 H GLU A 75 5.378 -1.575 -5.635 1.00 0.00 H new ATOM 0 HA GLU A 75 7.057 0.360 -6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.212 0.767 -8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.490 -0.947 -8.055 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.615 -0.997 -6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.323 0.706 -6.673 1.00 0.00 H new ATOM 813 N ASP A 76 4.589 1.551 -4.914 1.00 0.00 N ATOM 814 CA ASP A 76 4.102 2.740 -4.235 1.00 0.00 C ATOM 815 C ASP A 76 5.189 3.267 -3.296 1.00 0.00 C ATOM 816 O ASP A 76 5.355 4.477 -3.150 1.00 0.00 O ATOM 817 CB ASP A 76 2.864 2.425 -3.394 1.00 0.00 C ATOM 818 CG ASP A 76 1.532 2.832 -4.027 1.00 0.00 C ATOM 819 OD1 ASP A 76 0.493 2.353 -3.522 1.00 0.00 O ATOM 820 OD2 ASP A 76 1.581 3.612 -5.002 1.00 0.00 O ATOM 0 H ASP A 76 4.062 0.700 -4.715 1.00 0.00 H new ATOM 0 HA ASP A 76 3.845 3.480 -4.993 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.842 1.354 -3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.960 2.927 -2.431 1.00 0.00 H new ATOM 825 N ALA A 77 5.903 2.333 -2.685 1.00 0.00 N ATOM 826 CA ALA A 77 6.969 2.689 -1.764 1.00 0.00 C ATOM 827 C ALA A 77 8.076 3.417 -2.530 1.00 0.00 C ATOM 828 O ALA A 77 8.763 4.271 -1.972 1.00 0.00 O ATOM 829 CB ALA A 77 7.478 1.429 -1.061 1.00 0.00 C ATOM 0 H ALA A 77 5.764 1.330 -2.810 1.00 0.00 H new ATOM 0 HA ALA A 77 6.601 3.366 -0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.278 1.696 -0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.661 0.965 -0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.859 0.727 -1.803 1.00 0.00 H new ATOM 835 N GLN A 78 8.214 3.052 -3.796 1.00 0.00 N ATOM 836 CA GLN A 78 9.225 3.660 -4.644 1.00 0.00 C ATOM 837 C GLN A 78 8.776 5.052 -5.092 1.00 0.00 C ATOM 838 O GLN A 78 9.572 5.990 -5.110 1.00 0.00 O ATOM 839 CB GLN A 78 9.538 2.770 -5.849 1.00 0.00 C ATOM 840 CG GLN A 78 10.872 3.161 -6.488 1.00 0.00 C ATOM 841 CD GLN A 78 10.661 4.154 -7.633 1.00 0.00 C ATOM 842 OE1 GLN A 78 9.656 4.139 -8.325 1.00 0.00 O ATOM 843 NE2 GLN A 78 11.662 5.015 -7.794 1.00 0.00 N ATOM 0 H GLN A 78 7.642 2.343 -4.255 1.00 0.00 H new ATOM 0 HA GLN A 78 10.142 3.765 -4.064 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.573 1.727 -5.536 1.00 0.00 H new ATOM 0 HB3 GLN A 78 8.739 2.855 -6.586 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.525 3.602 -5.735 1.00 0.00 H new ATOM 0 HG3 GLN A 78 11.375 2.270 -6.863 1.00 0.00 H new ATOM 0 HE21 GLN A 78 12.475 4.973 -7.179 1.00 0.00 H new ATOM 0 HE22 GLN A 78 11.617 5.718 -8.532 1.00 0.00 H new ATOM 852 N ARG A 79 7.501 5.143 -5.443 1.00 0.00 N ATOM 853 CA ARG A 79 6.936 6.404 -5.891 1.00 0.00 C ATOM 854 C ARG A 79 7.011 7.446 -4.772 1.00 0.00 C ATOM 855 O ARG A 79 7.105 8.643 -5.038 1.00 0.00 O ATOM 856 CB ARG A 79 5.479 6.233 -6.322 1.00 0.00 C ATOM 857 CG ARG A 79 5.315 6.498 -7.820 1.00 0.00 C ATOM 858 CD ARG A 79 3.838 6.509 -8.217 1.00 0.00 C ATOM 859 NE ARG A 79 3.521 7.752 -8.954 1.00 0.00 N ATOM 860 CZ ARG A 79 2.317 8.033 -9.471 1.00 0.00 C ATOM 861 NH1 ARG A 79 1.309 7.160 -9.334 1.00 0.00 N ATOM 862 NH2 ARG A 79 2.120 9.187 -10.124 1.00 0.00 N ATOM 0 H ARG A 79 6.844 4.363 -5.426 1.00 0.00 H new ATOM 0 HA ARG A 79 7.519 6.743 -6.748 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.143 5.222 -6.089 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.846 6.917 -5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.771 7.454 -8.076 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.842 5.732 -8.388 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.613 5.641 -8.837 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.213 6.435 -7.327 1.00 0.00 H new ATOM 0 HE ARG A 79 4.266 8.438 -9.076 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.459 6.282 -8.836 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.392 7.373 -9.727 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.887 9.852 -10.228 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.203 9.400 -10.517 1.00 0.00 H new ATOM 876 N LEU A 80 6.966 6.951 -3.543 1.00 0.00 N ATOM 877 CA LEU A 80 7.027 7.824 -2.383 1.00 0.00 C ATOM 878 C LEU A 80 8.361 8.574 -2.384 1.00 0.00 C ATOM 879 O LEU A 80 8.404 9.771 -2.105 1.00 0.00 O ATOM 880 CB LEU A 80 6.769 7.030 -1.101 1.00 0.00 C ATOM 881 CG LEU A 80 5.302 6.857 -0.702 1.00 0.00 C ATOM 882 CD1 LEU A 80 5.149 5.775 0.368 1.00 0.00 C ATOM 883 CD2 LEU A 80 4.694 8.190 -0.261 1.00 0.00 C ATOM 0 H LEU A 80 6.888 5.957 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 80 6.238 8.575 -2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.213 6.041 -1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.292 7.522 -0.281 1.00 0.00 H new ATOM 0 HG LEU A 80 4.746 6.523 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.097 5.672 0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.520 4.826 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.721 6.055 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.651 8.040 0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.246 8.576 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.751 8.905 -1.082 1.00 0.00 H new ATOM 895 N VAL A 81 9.416 7.839 -2.702 1.00 0.00 N ATOM 896 CA VAL A 81 10.747 8.420 -2.743 1.00 0.00 C ATOM 897 C VAL A 81 10.840 9.390 -3.923 1.00 0.00 C ATOM 898 O VAL A 81 11.332 10.507 -3.776 1.00 0.00 O ATOM 899 CB VAL A 81 11.800 7.311 -2.797 1.00 0.00 C ATOM 900 CG1 VAL A 81 13.197 7.893 -3.028 1.00 0.00 C ATOM 901 CG2 VAL A 81 11.764 6.459 -1.528 1.00 0.00 C ATOM 0 H VAL A 81 9.376 6.846 -2.934 1.00 0.00 H new ATOM 0 HA VAL A 81 10.942 8.992 -1.836 1.00 0.00 H new ATOM 0 HB VAL A 81 11.563 6.664 -3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.927 7.084 -3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.213 8.437 -3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.447 8.573 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.522 5.678 -1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.964 7.089 -0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.780 6.002 -1.425 1.00 0.00 H new ATOM 911 N VAL A 82 10.357 8.927 -5.067 1.00 0.00 N ATOM 912 CA VAL A 82 10.379 9.740 -6.272 1.00 0.00 C ATOM 913 C VAL A 82 9.639 11.053 -6.009 1.00 0.00 C ATOM 914 O VAL A 82 10.044 12.107 -6.498 1.00 0.00 O ATOM 915 CB VAL A 82 9.798 8.951 -7.446 1.00 0.00 C ATOM 916 CG1 VAL A 82 9.531 9.866 -8.643 1.00 0.00 C ATOM 917 CG2 VAL A 82 10.718 7.792 -7.837 1.00 0.00 C ATOM 0 H VAL A 82 9.948 8.000 -5.185 1.00 0.00 H new ATOM 0 HA VAL A 82 11.404 9.993 -6.544 1.00 0.00 H new ATOM 0 HB VAL A 82 8.845 8.529 -7.127 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.118 9.280 -9.464 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.820 10.641 -8.357 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.464 10.330 -8.962 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.281 7.247 -8.674 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.693 8.183 -8.128 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.836 7.119 -6.988 1.00 0.00 H new ATOM 927 N ALA A 83 8.567 10.947 -5.238 1.00 0.00 N ATOM 928 CA ALA A 83 7.766 12.113 -4.905 1.00 0.00 C ATOM 929 C ALA A 83 8.592 13.061 -4.034 1.00 0.00 C ATOM 930 O ALA A 83 8.435 14.279 -4.115 1.00 0.00 O ATOM 931 CB ALA A 83 6.475 11.665 -4.216 1.00 0.00 C ATOM 0 H ALA A 83 8.234 10.071 -4.834 1.00 0.00 H new ATOM 0 HA ALA A 83 7.483 12.655 -5.807 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.874 12.539 -3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.911 11.016 -4.886 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.719 11.120 -3.304 1.00 0.00 H new ATOM 937 N GLY A 84 9.455 12.468 -3.222 1.00 0.00 N ATOM 938 CA GLY A 84 10.306 13.246 -2.338 1.00 0.00 C ATOM 939 C GLY A 84 10.198 12.748 -0.895 1.00 0.00 C ATOM 940 O GLY A 84 10.158 13.546 0.040 1.00 0.00 O ATOM 0 H GLY A 84 9.583 11.458 -3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.341 13.180 -2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.022 14.297 -2.386 1.00 0.00 H new ATOM 944 N ALA A 85 10.153 11.430 -0.759 1.00 0.00 N ATOM 945 CA ALA A 85 10.049 10.816 0.554 1.00 0.00 C ATOM 946 C ALA A 85 11.425 10.300 0.980 1.00 0.00 C ATOM 947 O ALA A 85 12.295 10.074 0.140 1.00 0.00 O ATOM 948 CB ALA A 85 8.996 9.707 0.517 1.00 0.00 C ATOM 0 H ALA A 85 10.187 10.771 -1.537 1.00 0.00 H new ATOM 0 HA ALA A 85 9.726 11.547 1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.918 9.246 1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.031 10.130 0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.287 8.953 -0.214 1.00 0.00 H new ATOM 954 N GLU A 86 11.580 10.129 2.285 1.00 0.00 N ATOM 955 CA GLU A 86 12.835 9.644 2.832 1.00 0.00 C ATOM 956 C GLU A 86 13.022 8.163 2.499 1.00 0.00 C ATOM 957 O GLU A 86 12.049 7.418 2.397 1.00 0.00 O ATOM 958 CB GLU A 86 12.901 9.879 4.343 1.00 0.00 C ATOM 959 CG GLU A 86 14.151 10.678 4.719 1.00 0.00 C ATOM 960 CD GLU A 86 14.128 12.066 4.076 1.00 0.00 C ATOM 961 OE1 GLU A 86 13.401 12.929 4.613 1.00 0.00 O ATOM 962 OE2 GLU A 86 14.839 12.233 3.062 1.00 0.00 O ATOM 0 H GLU A 86 10.857 10.318 2.979 1.00 0.00 H new ATOM 0 HA GLU A 86 13.650 10.205 2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.010 10.415 4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.907 8.921 4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.212 10.776 5.803 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.042 10.139 4.397 1.00 0.00 H new ATOM 969 N ASP A 87 14.281 7.780 2.339 1.00 0.00 N ATOM 970 CA ASP A 87 14.608 6.401 2.020 1.00 0.00 C ATOM 971 C ASP A 87 15.682 5.899 2.987 1.00 0.00 C ATOM 972 O ASP A 87 16.859 6.224 2.837 1.00 0.00 O ATOM 973 CB ASP A 87 15.159 6.281 0.598 1.00 0.00 C ATOM 974 CG ASP A 87 14.754 5.008 -0.148 1.00 0.00 C ATOM 975 OD1 ASP A 87 14.955 3.920 0.434 1.00 0.00 O ATOM 976 OD2 ASP A 87 14.251 5.151 -1.284 1.00 0.00 O ATOM 0 H ASP A 87 15.086 8.401 2.424 1.00 0.00 H new ATOM 0 HA ASP A 87 13.696 5.810 2.105 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.825 7.144 0.021 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.247 6.328 0.641 1.00 0.00 H new ATOM 981 N GLN A 88 15.238 5.115 3.959 1.00 0.00 N ATOM 982 CA GLN A 88 16.147 4.565 4.950 1.00 0.00 C ATOM 983 C GLN A 88 16.078 3.036 4.943 1.00 0.00 C ATOM 984 O GLN A 88 16.909 2.371 5.560 1.00 0.00 O ATOM 985 CB GLN A 88 15.841 5.121 6.342 1.00 0.00 C ATOM 986 CG GLN A 88 15.764 6.649 6.318 1.00 0.00 C ATOM 987 CD GLN A 88 17.061 7.254 5.778 1.00 0.00 C ATOM 988 OE1 GLN A 88 18.081 6.595 5.657 1.00 0.00 O ATOM 989 NE2 GLN A 88 16.966 8.542 5.461 1.00 0.00 N ATOM 0 H GLN A 88 14.261 4.848 4.081 1.00 0.00 H new ATOM 0 HA GLN A 88 17.162 4.865 4.690 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.897 4.711 6.702 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.614 4.803 7.042 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.925 6.965 5.698 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.575 7.023 7.324 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.082 9.034 5.587 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.777 9.038 5.092 1.00 0.00 H new ATOM 998 N ARG A 89 15.080 2.524 4.239 1.00 0.00 N ATOM 999 CA ARG A 89 14.892 1.086 4.143 1.00 0.00 C ATOM 1000 C ARG A 89 16.205 0.404 3.754 1.00 0.00 C ATOM 1001 O ARG A 89 16.450 -0.741 4.133 1.00 0.00 O ATOM 1002 CB ARG A 89 13.818 0.738 3.110 1.00 0.00 C ATOM 1003 CG ARG A 89 14.384 0.802 1.690 1.00 0.00 C ATOM 1004 CD ARG A 89 13.311 0.450 0.656 1.00 0.00 C ATOM 1005 NE ARG A 89 13.156 1.561 -0.310 1.00 0.00 N ATOM 1006 CZ ARG A 89 13.943 1.742 -1.379 1.00 0.00 C ATOM 1007 NH1 ARG A 89 14.945 0.888 -1.626 1.00 0.00 N ATOM 1008 NH2 ARG A 89 13.728 2.778 -2.202 1.00 0.00 N ATOM 0 H ARG A 89 14.393 3.079 3.729 1.00 0.00 H new ATOM 0 HA ARG A 89 14.568 0.728 5.120 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.430 -0.261 3.306 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.981 1.429 3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 89 14.770 1.802 1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.223 0.113 1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 89 13.587 -0.464 0.130 1.00 0.00 H new ATOM 0 HD3 ARG A 89 12.362 0.257 1.156 1.00 0.00 H new ATOM 0 HE ARG A 89 12.403 2.231 -0.152 1.00 0.00 H new ATOM 0 HH11 ARG A 89 15.109 0.100 -1.000 1.00 0.00 H new ATOM 0 HH12 ARG A 89 15.544 1.026 -2.440 1.00 0.00 H new ATOM 0 HH21 ARG A 89 12.965 3.429 -2.014 1.00 0.00 H new ATOM 0 HH22 ARG A 89 14.327 2.916 -3.016 1.00 0.00 H new ATOM 1022 N ARG A 90 17.015 1.135 3.003 1.00 0.00 N ATOM 1023 CA ARG A 90 18.296 0.615 2.559 1.00 0.00 C ATOM 1024 C ARG A 90 19.022 1.653 1.701 1.00 0.00 C ATOM 1025 O ARG A 90 20.048 2.195 2.110 1.00 0.00 O ATOM 1026 CB ARG A 90 18.118 -0.671 1.748 1.00 0.00 C ATOM 1027 CG ARG A 90 19.352 -1.567 1.864 1.00 0.00 C ATOM 1028 CD ARG A 90 19.061 -2.793 2.732 1.00 0.00 C ATOM 1029 NE ARG A 90 19.628 -2.601 4.085 1.00 0.00 N ATOM 1030 CZ ARG A 90 19.527 -3.498 5.076 1.00 0.00 C ATOM 1031 NH1 ARG A 90 18.879 -4.653 4.871 1.00 0.00 N ATOM 1032 NH2 ARG A 90 20.072 -3.239 6.272 1.00 0.00 N ATOM 0 H ARG A 90 16.809 2.084 2.691 1.00 0.00 H new ATOM 0 HA ARG A 90 18.888 0.393 3.447 1.00 0.00 H new ATOM 0 HB2 ARG A 90 17.239 -1.209 2.102 1.00 0.00 H new ATOM 0 HB3 ARG A 90 17.941 -0.424 0.701 1.00 0.00 H new ATOM 0 HG2 ARG A 90 19.668 -1.887 0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 90 20.178 -1.000 2.294 1.00 0.00 H new ATOM 0 HD2 ARG A 90 17.985 -2.954 2.799 1.00 0.00 H new ATOM 0 HD3 ARG A 90 19.489 -3.684 2.272 1.00 0.00 H new ATOM 0 HE ARG A 90 20.127 -1.732 4.276 1.00 0.00 H new ATOM 0 HH11 ARG A 90 18.463 -4.850 3.961 1.00 0.00 H new ATOM 0 HH12 ARG A 90 18.802 -5.336 5.625 1.00 0.00 H new ATOM 0 HH21 ARG A 90 20.564 -2.359 6.429 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.995 -3.922 7.026 1.00 0.00 H new ATOM 1046 N HIS A 91 18.461 1.900 0.526 1.00 0.00 N ATOM 1047 CA HIS A 91 19.042 2.864 -0.393 1.00 0.00 C ATOM 1048 C HIS A 91 18.155 2.991 -1.633 1.00 0.00 C ATOM 1049 O HIS A 91 17.192 2.241 -1.791 1.00 0.00 O ATOM 1050 CB HIS A 91 20.486 2.489 -0.733 1.00 0.00 C ATOM 1051 CG HIS A 91 21.498 3.549 -0.368 1.00 0.00 C ATOM 1052 ND1 HIS A 91 21.631 4.047 0.916 1.00 0.00 N ATOM 1053 CD2 HIS A 91 22.424 4.197 -1.131 1.00 0.00 C ATOM 1054 CE1 HIS A 91 22.596 4.956 0.914 1.00 0.00 C ATOM 1055 NE2 HIS A 91 23.085 5.047 -0.356 1.00 0.00 N ATOM 0 H HIS A 91 17.610 1.449 0.189 1.00 0.00 H new ATOM 0 HA HIS A 91 19.085 3.844 0.082 1.00 0.00 H new ATOM 0 HB2 HIS A 91 20.742 1.564 -0.216 1.00 0.00 H new ATOM 0 HB3 HIS A 91 20.556 2.287 -1.802 1.00 0.00 H new ATOM 0 HD1 HIS A 91 21.080 3.763 1.726 1.00 0.00 H new ATOM 0 HD2 HIS A 91 22.591 4.044 -2.187 1.00 0.00 H new ATOM 0 HE1 HIS A 91 22.935 5.524 1.767 1.00 0.00 H new ATOM 1063 N LEU A 92 18.510 3.945 -2.481 1.00 0.00 N ATOM 1064 CA LEU A 92 17.758 4.179 -3.702 1.00 0.00 C ATOM 1065 C LEU A 92 18.589 5.046 -4.649 1.00 0.00 C ATOM 1066 O LEU A 92 19.290 5.957 -4.209 1.00 0.00 O ATOM 1067 CB LEU A 92 16.382 4.765 -3.379 1.00 0.00 C ATOM 1068 CG LEU A 92 16.357 6.245 -2.993 1.00 0.00 C ATOM 1069 CD1 LEU A 92 17.333 6.530 -1.850 1.00 0.00 C ATOM 1070 CD2 LEU A 92 16.625 7.134 -4.210 1.00 0.00 C ATOM 0 H LEU A 92 19.309 4.565 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 92 17.565 3.238 -4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 92 15.737 4.625 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 92 15.947 4.190 -2.562 1.00 0.00 H new ATOM 0 HG LEU A 92 15.358 6.487 -2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.296 7.589 -1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 92 17.056 5.937 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 92 18.344 6.267 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.602 8.181 -3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 92 17.605 6.898 -4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.859 6.957 -4.965 1.00 0.00 H new ATOM 1082 N MET A 93 18.484 4.734 -5.932 1.00 0.00 N ATOM 1083 CA MET A 93 19.217 5.473 -6.945 1.00 0.00 C ATOM 1084 C MET A 93 18.570 5.307 -8.322 1.00 0.00 C ATOM 1085 O MET A 93 17.843 4.343 -8.557 1.00 0.00 O ATOM 1086 CB MET A 93 20.662 4.973 -6.997 1.00 0.00 C ATOM 1087 CG MET A 93 20.716 3.491 -7.374 1.00 0.00 C ATOM 1088 SD MET A 93 21.928 3.232 -8.659 1.00 0.00 S ATOM 1089 CE MET A 93 22.902 1.937 -7.910 1.00 0.00 C ATOM 0 H MET A 93 17.902 3.979 -6.293 1.00 0.00 H new ATOM 0 HA MET A 93 19.198 6.530 -6.680 1.00 0.00 H new ATOM 0 HB2 MET A 93 21.227 5.557 -7.723 1.00 0.00 H new ATOM 0 HB3 MET A 93 21.138 5.123 -6.028 1.00 0.00 H new ATOM 0 HG2 MET A 93 20.969 2.893 -6.498 1.00 0.00 H new ATOM 0 HG3 MET A 93 19.736 3.158 -7.715 1.00 0.00 H new ATOM 0 HE1 MET A 93 23.710 1.653 -8.584 1.00 0.00 H new ATOM 0 HE2 MET A 93 23.323 2.295 -6.970 1.00 0.00 H new ATOM 0 HE3 MET A 93 22.269 1.071 -7.717 1.00 0.00 H new ATOM 1099 N ALA A 94 18.857 6.261 -9.195 1.00 0.00 N ATOM 1100 CA ALA A 94 18.312 6.233 -10.541 1.00 0.00 C ATOM 1101 C ALA A 94 19.049 5.173 -11.363 1.00 0.00 C ATOM 1102 O ALA A 94 20.249 4.971 -11.188 1.00 0.00 O ATOM 1103 CB ALA A 94 18.413 7.627 -11.163 1.00 0.00 C ATOM 0 H ALA A 94 19.460 7.059 -8.996 1.00 0.00 H new ATOM 0 HA ALA A 94 17.257 5.961 -10.522 1.00 0.00 H new ATOM 0 HB1 ALA A 94 18.004 7.605 -12.173 1.00 0.00 H new ATOM 0 HB2 ALA A 94 17.849 8.337 -10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 94 19.458 7.933 -11.202 1.00 0.00 H new ATOM 1109 N ASP A 95 18.298 4.524 -12.241 1.00 0.00 N ATOM 1110 CA ASP A 95 18.865 3.490 -13.090 1.00 0.00 C ATOM 1111 C ASP A 95 18.054 3.398 -14.384 1.00 0.00 C ATOM 1112 O ASP A 95 16.837 3.222 -14.347 1.00 0.00 O ATOM 1113 CB ASP A 95 18.816 2.125 -12.403 1.00 0.00 C ATOM 1114 CG ASP A 95 17.427 1.489 -12.325 1.00 0.00 C ATOM 1115 OD1 ASP A 95 17.015 0.899 -13.348 1.00 0.00 O ATOM 1116 OD2 ASP A 95 16.808 1.607 -11.246 1.00 0.00 O ATOM 0 H ASP A 95 17.302 4.694 -12.383 1.00 0.00 H new ATOM 0 HA ASP A 95 19.903 3.753 -13.295 1.00 0.00 H new ATOM 0 HB2 ASP A 95 19.481 1.444 -12.934 1.00 0.00 H new ATOM 0 HB3 ASP A 95 19.208 2.230 -11.391 1.00 0.00 H new ATOM 1121 N ASP A 96 18.761 3.520 -15.498 1.00 0.00 N ATOM 1122 CA ASP A 96 18.122 3.452 -16.801 1.00 0.00 C ATOM 1123 C ASP A 96 19.098 2.847 -17.812 1.00 0.00 C ATOM 1124 O ASP A 96 20.208 3.348 -17.985 1.00 0.00 O ATOM 1125 CB ASP A 96 17.732 4.846 -17.297 1.00 0.00 C ATOM 1126 CG ASP A 96 16.742 4.864 -18.463 1.00 0.00 C ATOM 1127 OD1 ASP A 96 15.962 5.838 -18.531 1.00 0.00 O ATOM 1128 OD2 ASP A 96 16.789 3.903 -19.262 1.00 0.00 O ATOM 0 H ASP A 96 19.770 3.666 -15.525 1.00 0.00 H new ATOM 0 HA ASP A 96 17.226 2.839 -16.705 1.00 0.00 H new ATOM 0 HB2 ASP A 96 17.301 5.404 -16.465 1.00 0.00 H new ATOM 0 HB3 ASP A 96 18.636 5.374 -17.600 1.00 0.00 H new TER 1133 ASP A 96