USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 713 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 4 GLN : amide:sc= -2.31! C(o=-2.3!,f=-5.4!) USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 92 THR OG1 : rot 140:sc= -0.0232 USER MOD Single : A 1 VAL N :NH3+ 158:sc= -0.986 (180deg=-2.29!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.011 K(o=-0.011,f=-1.5!) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0253 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0865 USER MOD Single : A 16 LYS NZ :NH3+ -143:sc= 0.0748 (180deg=-0.405) USER MOD Single : A 17 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.163) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.25 X(o=-1.3,f=-1.1!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -7.89! C(o=-7.9!,f=-8.5!) USER MOD Single : A 52 ASN : amide:sc= -1.75 K(o=-1.7,f=-0.15) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0449 K(o=-0.045,f=-1.3) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 71 GLN : amide:sc= -0.429 K(o=-0.43,f=-3.8!) USER MOD Single : A 82 THR OG1 : rot -159:sc= -1.9! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -0.512 -11.769 0.261 1.00 0.00 N ATOM 2 CA VAL A 1 0.269 -11.599 1.520 1.00 0.00 C ATOM 3 C VAL A 1 -0.631 -11.044 2.628 1.00 0.00 C ATOM 4 O VAL A 1 -0.560 -9.882 2.974 1.00 0.00 O ATOM 5 CB VAL A 1 1.370 -10.597 1.173 1.00 0.00 C ATOM 6 CG1 VAL A 1 2.468 -11.302 0.373 1.00 0.00 C ATOM 7 CG2 VAL A 1 0.781 -9.459 0.337 1.00 0.00 C ATOM 0 H1 VAL A 1 0.137 -11.779 -0.551 1.00 0.00 H new ATOM 0 H2 VAL A 1 -1.037 -12.666 0.296 1.00 0.00 H new ATOM 0 H3 VAL A 1 -1.182 -10.980 0.159 1.00 0.00 H new ATOM 0 HA VAL A 1 0.677 -12.542 1.883 1.00 0.00 H new ATOM 0 HB VAL A 1 1.793 -10.191 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 1 3.253 -10.588 0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 1 2.889 -12.112 0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 1 2.045 -11.709 -0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 1 1.566 -8.745 0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 1 0.357 -9.864 -0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -0.001 -8.956 0.906 1.00 0.00 H new ATOM 19 N THR A 2 -1.478 -11.866 3.183 1.00 0.00 N ATOM 20 CA THR A 2 -2.384 -11.383 4.266 1.00 0.00 C ATOM 21 C THR A 2 -1.713 -11.547 5.632 1.00 0.00 C ATOM 22 O THR A 2 -0.900 -12.428 5.835 1.00 0.00 O ATOM 23 CB THR A 2 -3.625 -12.272 4.166 1.00 0.00 C ATOM 24 OG1 THR A 2 -4.130 -12.228 2.839 1.00 0.00 O ATOM 25 CG2 THR A 2 -4.694 -11.772 5.138 1.00 0.00 C ATOM 0 H THR A 2 -1.583 -12.850 2.935 1.00 0.00 H new ATOM 0 HA THR A 2 -2.629 -10.326 4.160 1.00 0.00 H new ATOM 0 HB THR A 2 -3.359 -13.298 4.421 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.924 -12.798 2.772 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.577 -12.407 5.065 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.305 -11.807 6.156 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.963 -10.746 4.887 1.00 0.00 H new ATOM 33 N VAL A 3 -2.048 -10.705 6.573 1.00 0.00 N ATOM 34 CA VAL A 3 -1.429 -10.812 7.925 1.00 0.00 C ATOM 35 C VAL A 3 -2.118 -11.914 8.734 1.00 0.00 C ATOM 36 O VAL A 3 -3.220 -11.746 9.212 1.00 0.00 O ATOM 37 CB VAL A 3 -1.663 -9.447 8.575 1.00 0.00 C ATOM 38 CG1 VAL A 3 -1.171 -9.480 10.022 1.00 0.00 C ATOM 39 CG2 VAL A 3 -0.897 -8.373 7.801 1.00 0.00 C ATOM 0 H VAL A 3 -2.723 -9.948 6.463 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.370 -11.066 7.877 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.728 -9.216 8.558 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.338 -8.508 10.485 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.718 -10.244 10.575 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.106 -9.712 10.039 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.064 -7.401 8.265 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.168 -8.604 7.816 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.248 -8.348 6.769 1.00 0.00 H new ATOM 49 N GLN A 4 -1.480 -13.041 8.888 1.00 0.00 N ATOM 50 CA GLN A 4 -2.111 -14.146 9.665 1.00 0.00 C ATOM 51 C GLN A 4 -1.400 -14.326 11.008 1.00 0.00 C ATOM 52 O GLN A 4 -0.205 -14.537 11.066 1.00 0.00 O ATOM 53 CB GLN A 4 -1.939 -15.392 8.796 1.00 0.00 C ATOM 54 CG GLN A 4 -2.698 -16.561 9.427 1.00 0.00 C ATOM 55 CD GLN A 4 -2.345 -17.858 8.696 1.00 0.00 C ATOM 56 OE1 GLN A 4 -1.196 -18.249 8.650 1.00 0.00 O ATOM 57 NE2 GLN A 4 -3.292 -18.545 8.119 1.00 0.00 N ATOM 0 H GLN A 4 -0.554 -13.245 8.512 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.159 -13.945 9.887 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.313 -15.202 7.790 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.882 -15.639 8.701 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.442 -16.646 10.483 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.772 -16.382 9.373 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -4.257 -18.216 8.158 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.068 -19.411 7.629 1.00 0.00 H new ATOM 66 N ASP A 5 -2.127 -14.246 12.090 1.00 0.00 N ATOM 67 CA ASP A 5 -1.493 -14.413 13.429 1.00 0.00 C ATOM 68 C ASP A 5 -1.749 -15.827 13.960 1.00 0.00 C ATOM 69 O ASP A 5 -1.398 -16.154 15.076 1.00 0.00 O ATOM 70 CB ASP A 5 -2.176 -13.376 14.322 1.00 0.00 C ATOM 71 CG ASP A 5 -1.805 -11.971 13.845 1.00 0.00 C ATOM 72 OD1 ASP A 5 -0.872 -11.857 13.068 1.00 0.00 O ATOM 73 OD2 ASP A 5 -2.462 -11.032 14.264 1.00 0.00 O ATOM 0 H ASP A 5 -3.132 -14.072 12.104 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.412 -14.275 13.395 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.257 -13.509 14.291 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.868 -13.513 15.359 1.00 0.00 H new ATOM 78 N GLY A 6 -2.356 -16.666 13.167 1.00 0.00 N ATOM 79 CA GLY A 6 -2.632 -18.057 13.626 1.00 0.00 C ATOM 80 C GLY A 6 -3.267 -18.854 12.485 1.00 0.00 C ATOM 81 O GLY A 6 -2.864 -18.753 11.343 1.00 0.00 O ATOM 0 H GLY A 6 -2.673 -16.449 12.222 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.707 -18.536 13.947 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.299 -18.041 14.488 1.00 0.00 H new ATOM 85 N ASN A 7 -4.255 -19.651 12.787 1.00 0.00 N ATOM 86 CA ASN A 7 -4.914 -20.458 11.721 1.00 0.00 C ATOM 87 C ASN A 7 -5.907 -19.594 10.940 1.00 0.00 C ATOM 88 O ASN A 7 -6.555 -20.053 10.020 1.00 0.00 O ATOM 89 CB ASN A 7 -5.647 -21.573 12.468 1.00 0.00 C ATOM 90 CG ASN A 7 -4.632 -22.437 13.220 1.00 0.00 C ATOM 91 OD1 ASN A 7 -3.451 -22.397 12.933 1.00 0.00 O ATOM 92 ND2 ASN A 7 -5.044 -23.221 14.178 1.00 0.00 N ATOM 0 H ASN A 7 -4.634 -19.778 13.725 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.199 -20.851 10.998 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.365 -21.145 13.167 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.212 -22.185 11.765 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.376 -23.800 14.686 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.035 -23.255 14.419 1.00 0.00 H new ATOM 99 N PHE A 8 -6.032 -18.345 11.298 1.00 0.00 N ATOM 100 CA PHE A 8 -6.983 -17.454 10.575 1.00 0.00 C ATOM 101 C PHE A 8 -6.223 -16.318 9.886 1.00 0.00 C ATOM 102 O PHE A 8 -5.400 -15.654 10.485 1.00 0.00 O ATOM 103 CB PHE A 8 -7.908 -16.902 11.659 1.00 0.00 C ATOM 104 CG PHE A 8 -8.595 -18.051 12.359 1.00 0.00 C ATOM 105 CD1 PHE A 8 -8.002 -18.640 13.482 1.00 0.00 C ATOM 106 CD2 PHE A 8 -9.822 -18.528 11.883 1.00 0.00 C ATOM 107 CE1 PHE A 8 -8.638 -19.706 14.129 1.00 0.00 C ATOM 108 CE2 PHE A 8 -10.456 -19.594 12.530 1.00 0.00 C ATOM 109 CZ PHE A 8 -9.864 -20.184 13.653 1.00 0.00 C ATOM 0 H PHE A 8 -5.517 -17.903 12.060 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.536 -17.982 9.798 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.336 -16.313 12.376 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.648 -16.235 11.217 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.055 -18.272 13.849 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.279 -18.073 11.017 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.182 -20.160 14.996 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -11.403 -19.962 12.163 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.353 -21.008 14.152 1.00 0.00 H new ATOM 119 N SER A 9 -6.491 -16.091 8.629 1.00 0.00 N ATOM 120 CA SER A 9 -5.785 -15.000 7.900 1.00 0.00 C ATOM 121 C SER A 9 -6.512 -13.669 8.111 1.00 0.00 C ATOM 122 O SER A 9 -7.723 -13.595 8.043 1.00 0.00 O ATOM 123 CB SER A 9 -5.832 -15.414 6.429 1.00 0.00 C ATOM 124 OG SER A 9 -5.211 -16.682 6.273 1.00 0.00 O ATOM 0 H SER A 9 -7.169 -16.615 8.075 1.00 0.00 H new ATOM 0 HA SER A 9 -4.762 -14.860 8.250 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.866 -15.459 6.086 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.324 -14.671 5.815 1.00 0.00 H new ATOM 0 HG SER A 9 -5.243 -16.948 5.330 1.00 0.00 H new ATOM 130 N PHE A 10 -5.782 -12.617 8.365 1.00 0.00 N ATOM 131 CA PHE A 10 -6.434 -11.293 8.577 1.00 0.00 C ATOM 132 C PHE A 10 -6.031 -10.321 7.464 1.00 0.00 C ATOM 133 O PHE A 10 -4.861 -10.101 7.211 1.00 0.00 O ATOM 134 CB PHE A 10 -5.914 -10.802 9.930 1.00 0.00 C ATOM 135 CG PHE A 10 -6.467 -11.673 11.033 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.847 -11.717 11.262 1.00 0.00 C ATOM 137 CD2 PHE A 10 -5.601 -12.432 11.830 1.00 0.00 C ATOM 138 CE1 PHE A 10 -8.361 -12.522 12.286 1.00 0.00 C ATOM 139 CE2 PHE A 10 -6.116 -13.238 12.853 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.496 -13.281 13.082 1.00 0.00 C ATOM 0 H PHE A 10 -4.764 -12.617 8.435 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.522 -11.364 8.561 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.824 -10.829 9.944 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.209 -9.765 10.090 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.515 -11.130 10.649 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.536 -12.396 11.656 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.426 -12.557 12.462 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.448 -13.826 13.465 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.893 -13.900 13.873 1.00 0.00 H new ATOM 150 N SER A 11 -6.989 -9.737 6.797 1.00 0.00 N ATOM 151 CA SER A 11 -6.660 -8.779 5.702 1.00 0.00 C ATOM 152 C SER A 11 -6.135 -7.466 6.289 1.00 0.00 C ATOM 153 O SER A 11 -6.198 -7.239 7.482 1.00 0.00 O ATOM 154 CB SER A 11 -7.982 -8.546 4.970 1.00 0.00 C ATOM 155 OG SER A 11 -7.762 -7.700 3.850 1.00 0.00 O ATOM 0 H SER A 11 -7.985 -9.881 6.963 1.00 0.00 H new ATOM 0 HA SER A 11 -5.887 -9.162 5.036 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.401 -9.498 4.643 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.708 -8.092 5.645 1.00 0.00 H new ATOM 0 HG SER A 11 -8.609 -7.552 3.380 1.00 0.00 H new ATOM 161 N LEU A 12 -5.614 -6.599 5.464 1.00 0.00 N ATOM 162 CA LEU A 12 -5.084 -5.305 5.982 1.00 0.00 C ATOM 163 C LEU A 12 -6.095 -4.179 5.742 1.00 0.00 C ATOM 164 O LEU A 12 -5.892 -3.053 6.152 1.00 0.00 O ATOM 165 CB LEU A 12 -3.803 -5.052 5.184 1.00 0.00 C ATOM 166 CG LEU A 12 -2.732 -6.064 5.595 1.00 0.00 C ATOM 167 CD1 LEU A 12 -2.613 -6.093 7.121 1.00 0.00 C ATOM 168 CD2 LEU A 12 -3.121 -7.454 5.088 1.00 0.00 C ATOM 0 H LEU A 12 -5.532 -6.730 4.456 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.898 -5.339 7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.006 -5.136 4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.446 -4.038 5.362 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.775 -5.774 5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.850 -6.814 7.413 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.334 -5.103 7.483 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.570 -6.382 7.555 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.358 -8.175 5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.079 -7.744 5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.204 -7.435 4.001 1.00 0.00 H new ATOM 180 N GLU A 13 -7.182 -4.470 5.081 1.00 0.00 N ATOM 181 CA GLU A 13 -8.199 -3.410 4.818 1.00 0.00 C ATOM 182 C GLU A 13 -8.909 -3.016 6.117 1.00 0.00 C ATOM 183 O GLU A 13 -8.688 -1.951 6.659 1.00 0.00 O ATOM 184 CB GLU A 13 -9.192 -4.041 3.842 1.00 0.00 C ATOM 185 CG GLU A 13 -8.465 -4.442 2.558 1.00 0.00 C ATOM 186 CD GLU A 13 -9.465 -5.059 1.579 1.00 0.00 C ATOM 187 OE1 GLU A 13 -10.576 -5.340 1.995 1.00 0.00 O ATOM 188 OE2 GLU A 13 -9.103 -5.239 0.428 1.00 0.00 O ATOM 0 H GLU A 13 -7.410 -5.393 4.712 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.747 -2.504 4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.658 -4.915 4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.991 -3.336 3.614 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.990 -3.570 2.108 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.673 -5.156 2.783 1.00 0.00 H new ATOM 195 N SER A 14 -9.764 -3.867 6.616 1.00 0.00 N ATOM 196 CA SER A 14 -10.495 -3.543 7.876 1.00 0.00 C ATOM 197 C SER A 14 -9.561 -2.876 8.885 1.00 0.00 C ATOM 198 O SER A 14 -9.866 -1.832 9.430 1.00 0.00 O ATOM 199 CB SER A 14 -10.973 -4.889 8.415 1.00 0.00 C ATOM 200 OG SER A 14 -11.544 -5.648 7.358 1.00 0.00 O ATOM 0 H SER A 14 -9.989 -4.773 6.206 1.00 0.00 H new ATOM 0 HA SER A 14 -11.318 -2.851 7.699 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.138 -5.433 8.857 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.708 -4.736 9.205 1.00 0.00 H new ATOM 0 HG SER A 14 -11.849 -6.513 7.704 1.00 0.00 H new ATOM 206 N VAL A 15 -8.424 -3.461 9.139 1.00 0.00 N ATOM 207 CA VAL A 15 -7.479 -2.847 10.112 1.00 0.00 C ATOM 208 C VAL A 15 -7.017 -1.485 9.594 1.00 0.00 C ATOM 209 O VAL A 15 -7.043 -0.501 10.306 1.00 0.00 O ATOM 210 CB VAL A 15 -6.315 -3.828 10.216 1.00 0.00 C ATOM 211 CG1 VAL A 15 -6.823 -5.131 10.836 1.00 0.00 C ATOM 212 CG2 VAL A 15 -5.739 -4.107 8.823 1.00 0.00 C ATOM 0 H VAL A 15 -8.109 -4.334 8.717 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.933 -2.674 11.088 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.530 -3.401 10.840 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.000 -5.841 10.916 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.225 -4.929 11.829 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.606 -5.553 10.206 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.909 -4.808 8.906 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.514 -4.536 8.188 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.384 -3.175 8.383 1.00 0.00 H new ATOM 222 N LYS A 16 -6.613 -1.410 8.356 1.00 0.00 N ATOM 223 CA LYS A 16 -6.173 -0.099 7.803 1.00 0.00 C ATOM 224 C LYS A 16 -7.304 0.919 7.964 1.00 0.00 C ATOM 225 O LYS A 16 -7.133 1.965 8.559 1.00 0.00 O ATOM 226 CB LYS A 16 -5.890 -0.364 6.326 1.00 0.00 C ATOM 227 CG LYS A 16 -5.440 0.933 5.653 1.00 0.00 C ATOM 228 CD LYS A 16 -5.214 0.675 4.163 1.00 0.00 C ATOM 229 CE LYS A 16 -6.553 0.366 3.491 1.00 0.00 C ATOM 230 NZ LYS A 16 -6.788 1.510 2.564 1.00 0.00 N ATOM 0 H LYS A 16 -6.569 -2.195 7.707 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.296 0.302 8.310 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.118 -1.126 6.224 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.785 -0.749 5.837 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.194 1.708 5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.522 1.297 6.115 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.754 1.547 3.698 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.526 -0.159 4.028 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.515 -0.580 2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.354 0.281 4.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.801 1.744 2.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.246 2.337 2.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.480 1.249 1.605 1.00 0.00 H new ATOM 244 N LYS A 17 -8.466 0.610 7.453 1.00 0.00 N ATOM 245 CA LYS A 17 -9.617 1.546 7.593 1.00 0.00 C ATOM 246 C LYS A 17 -10.235 1.391 8.985 1.00 0.00 C ATOM 247 O LYS A 17 -11.270 1.954 9.283 1.00 0.00 O ATOM 248 CB LYS A 17 -10.615 1.115 6.519 1.00 0.00 C ATOM 249 CG LYS A 17 -10.001 1.319 5.133 1.00 0.00 C ATOM 250 CD LYS A 17 -11.037 0.962 4.065 1.00 0.00 C ATOM 251 CE LYS A 17 -10.388 1.015 2.681 1.00 0.00 C ATOM 252 NZ LYS A 17 -11.285 0.203 1.807 1.00 0.00 N ATOM 0 H LYS A 17 -8.667 -0.251 6.944 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.324 2.589 7.477 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.884 0.068 6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.534 1.694 6.609 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.680 2.354 5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.115 0.695 5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.438 -0.034 4.252 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.876 1.657 4.111 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.308 2.041 2.321 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.378 0.604 2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.062 0.392 0.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.143 -0.808 2.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.276 0.458 1.994 1.00 0.00 H new ATOM 266 N LEU A 18 -9.601 0.630 9.836 1.00 0.00 N ATOM 267 CA LEU A 18 -10.136 0.429 11.210 1.00 0.00 C ATOM 268 C LEU A 18 -10.370 1.781 11.887 1.00 0.00 C ATOM 269 O LEU A 18 -11.314 1.958 12.631 1.00 0.00 O ATOM 270 CB LEU A 18 -9.044 -0.369 11.926 1.00 0.00 C ATOM 271 CG LEU A 18 -9.526 -0.793 13.315 1.00 0.00 C ATOM 272 CD1 LEU A 18 -10.948 -1.350 13.214 1.00 0.00 C ATOM 273 CD2 LEU A 18 -8.594 -1.877 13.868 1.00 0.00 C ATOM 0 H LEU A 18 -8.731 0.137 9.636 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.095 -0.089 11.224 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.782 -1.249 11.339 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.141 0.235 12.015 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.519 0.070 13.981 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.292 -1.652 14.203 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.612 -0.582 12.818 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.954 -2.213 12.549 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.936 -2.180 14.858 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.603 -2.739 13.201 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.580 -1.483 13.939 1.00 0.00 H new ATOM 285 N LYS A 19 -9.526 2.744 11.626 1.00 0.00 N ATOM 286 CA LYS A 19 -9.718 4.085 12.248 1.00 0.00 C ATOM 287 C LYS A 19 -11.119 4.605 11.919 1.00 0.00 C ATOM 288 O LYS A 19 -11.804 5.154 12.758 1.00 0.00 O ATOM 289 CB LYS A 19 -8.647 4.976 11.618 1.00 0.00 C ATOM 290 CG LYS A 19 -8.676 6.356 12.280 1.00 0.00 C ATOM 291 CD LYS A 19 -7.665 7.275 11.589 1.00 0.00 C ATOM 292 CE LYS A 19 -7.601 8.613 12.329 1.00 0.00 C ATOM 293 NZ LYS A 19 -7.493 9.639 11.254 1.00 0.00 N ATOM 0 H LYS A 19 -8.716 2.660 11.012 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.628 4.061 13.334 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.663 4.523 11.741 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.822 5.071 10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.677 6.783 12.212 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.438 6.268 13.340 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.681 6.807 11.577 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.954 7.435 10.550 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.491 8.771 12.938 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.744 8.653 13.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.444 10.586 11.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.633 9.467 10.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.326 9.581 10.634 1.00 0.00 H new ATOM 307 N ASP A 20 -11.553 4.423 10.700 1.00 0.00 N ATOM 308 CA ASP A 20 -12.913 4.891 10.310 1.00 0.00 C ATOM 309 C ASP A 20 -13.869 3.698 10.233 1.00 0.00 C ATOM 310 O ASP A 20 -13.812 2.904 9.315 1.00 0.00 O ATOM 311 CB ASP A 20 -12.739 5.529 8.932 1.00 0.00 C ATOM 312 CG ASP A 20 -14.082 6.084 8.455 1.00 0.00 C ATOM 313 OD1 ASP A 20 -15.001 6.129 9.257 1.00 0.00 O ATOM 314 OD2 ASP A 20 -14.170 6.456 7.297 1.00 0.00 O ATOM 0 H ASP A 20 -11.022 3.969 9.957 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.332 5.595 11.029 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.999 6.328 8.980 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.365 4.791 8.222 1.00 0.00 H new ATOM 319 N LEU A 21 -14.742 3.561 11.192 1.00 0.00 N ATOM 320 CA LEU A 21 -15.696 2.415 11.179 1.00 0.00 C ATOM 321 C LEU A 21 -16.330 2.258 9.795 1.00 0.00 C ATOM 322 O LEU A 21 -16.481 1.162 9.293 1.00 0.00 O ATOM 323 CB LEU A 21 -16.758 2.772 12.219 1.00 0.00 C ATOM 324 CG LEU A 21 -17.445 1.496 12.710 1.00 0.00 C ATOM 325 CD1 LEU A 21 -16.387 0.487 13.159 1.00 0.00 C ATOM 326 CD2 LEU A 21 -18.359 1.831 13.889 1.00 0.00 C ATOM 0 H LEU A 21 -14.837 4.194 11.986 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.203 1.470 11.405 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -16.299 3.296 13.058 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -17.494 3.449 11.785 1.00 0.00 H new ATOM 0 HG LEU A 21 -18.036 1.068 11.900 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.876 -0.422 13.509 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.733 0.247 12.320 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.796 0.915 13.969 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -18.849 0.922 14.239 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -17.767 2.259 14.698 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -19.114 2.551 13.571 1.00 0.00 H new ATOM 338 N GLN A 22 -16.707 3.343 9.175 1.00 0.00 N ATOM 339 CA GLN A 22 -17.337 3.248 7.826 1.00 0.00 C ATOM 340 C GLN A 22 -16.332 2.708 6.805 1.00 0.00 C ATOM 341 O GLN A 22 -15.383 3.373 6.441 1.00 0.00 O ATOM 342 CB GLN A 22 -17.742 4.680 7.478 1.00 0.00 C ATOM 343 CG GLN A 22 -18.807 5.159 8.465 1.00 0.00 C ATOM 344 CD GLN A 22 -19.205 6.597 8.131 1.00 0.00 C ATOM 345 OE1 GLN A 22 -18.509 7.279 7.406 1.00 0.00 O ATOM 346 NE2 GLN A 22 -20.303 7.090 8.634 1.00 0.00 N ATOM 0 H GLN A 22 -16.607 4.289 9.543 1.00 0.00 H new ATOM 0 HA GLN A 22 -18.190 2.569 7.816 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -16.872 5.336 7.518 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -18.128 4.723 6.460 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -19.680 4.509 8.417 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -18.424 5.104 9.484 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -20.887 6.517 9.243 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -20.577 8.048 8.418 1.00 0.00 H new ATOM 355 N GLU A 23 -16.535 1.505 6.340 1.00 0.00 N ATOM 356 CA GLU A 23 -15.594 0.922 5.341 1.00 0.00 C ATOM 357 C GLU A 23 -16.370 0.430 4.114 1.00 0.00 C ATOM 358 O GLU A 23 -17.322 -0.315 4.245 1.00 0.00 O ATOM 359 CB GLU A 23 -14.931 -0.252 6.062 1.00 0.00 C ATOM 360 CG GLU A 23 -14.343 0.230 7.391 1.00 0.00 C ATOM 361 CD GLU A 23 -14.439 -0.891 8.427 1.00 0.00 C ATOM 362 OE1 GLU A 23 -14.236 -2.034 8.055 1.00 0.00 O ATOM 363 OE2 GLU A 23 -14.713 -0.586 9.576 1.00 0.00 O ATOM 0 H GLU A 23 -17.312 0.901 6.609 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.862 1.648 4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -15.661 -1.042 6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -14.146 -0.679 5.438 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.303 0.526 7.255 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.882 1.111 7.741 1.00 0.00 H new ATOM 370 N PRO A 24 -15.942 0.863 2.956 1.00 0.00 N ATOM 371 CA PRO A 24 -16.610 0.461 1.695 1.00 0.00 C ATOM 372 C PRO A 24 -16.517 -1.055 1.497 1.00 0.00 C ATOM 373 O PRO A 24 -15.627 -1.705 2.008 1.00 0.00 O ATOM 374 CB PRO A 24 -15.801 1.208 0.632 1.00 0.00 C ATOM 375 CG PRO A 24 -14.690 2.016 1.332 1.00 0.00 C ATOM 376 CD PRO A 24 -14.777 1.770 2.844 1.00 0.00 C ATOM 0 HA PRO A 24 -17.674 0.697 1.668 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -15.366 0.503 -0.076 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.450 1.873 0.062 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -13.712 1.716 0.957 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -14.802 3.078 1.115 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -13.868 1.312 3.233 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -14.930 2.697 3.398 1.00 0.00 H new ATOM 384 N GLN A 25 -17.431 -1.622 0.757 1.00 0.00 N ATOM 385 CA GLN A 25 -17.396 -3.095 0.528 1.00 0.00 C ATOM 386 C GLN A 25 -16.078 -3.500 -0.141 1.00 0.00 C ATOM 387 O GLN A 25 -15.590 -2.832 -1.030 1.00 0.00 O ATOM 388 CB GLN A 25 -18.575 -3.379 -0.404 1.00 0.00 C ATOM 389 CG GLN A 25 -19.886 -3.066 0.319 1.00 0.00 C ATOM 390 CD GLN A 25 -21.063 -3.374 -0.609 1.00 0.00 C ATOM 391 OE1 GLN A 25 -20.884 -3.545 -1.799 1.00 0.00 O ATOM 392 NE2 GLN A 25 -22.267 -3.452 -0.113 1.00 0.00 N ATOM 0 H GLN A 25 -18.200 -1.130 0.302 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.465 -3.657 1.460 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.492 -2.774 -1.307 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.561 -4.423 -0.718 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.962 -3.659 1.230 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.908 -2.018 0.618 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -22.417 -3.309 0.886 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -23.058 -3.656 -0.724 1.00 0.00 H new ATOM 401 N GLU A 26 -15.502 -4.593 0.279 1.00 0.00 N ATOM 402 CA GLU A 26 -14.219 -5.045 -0.333 1.00 0.00 C ATOM 403 C GLU A 26 -14.374 -6.467 -0.882 1.00 0.00 C ATOM 404 O GLU A 26 -14.000 -7.425 -0.234 1.00 0.00 O ATOM 405 CB GLU A 26 -13.201 -5.016 0.807 1.00 0.00 C ATOM 406 CG GLU A 26 -12.461 -3.677 0.796 1.00 0.00 C ATOM 407 CD GLU A 26 -11.654 -3.551 -0.497 1.00 0.00 C ATOM 408 OE1 GLU A 26 -11.181 -4.567 -0.979 1.00 0.00 O ATOM 409 OE2 GLU A 26 -11.520 -2.440 -0.983 1.00 0.00 O ATOM 0 H GLU A 26 -15.864 -5.193 1.020 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.911 -4.412 -1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.705 -5.157 1.763 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.492 -5.836 0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.173 -2.855 0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.799 -3.608 1.659 1.00 0.00 H new ATOM 416 N PRO A 27 -14.929 -6.556 -2.061 1.00 0.00 N ATOM 417 CA PRO A 27 -15.149 -7.869 -2.712 1.00 0.00 C ATOM 418 C PRO A 27 -13.818 -8.590 -2.947 1.00 0.00 C ATOM 419 O PRO A 27 -13.443 -9.477 -2.206 1.00 0.00 O ATOM 420 CB PRO A 27 -15.810 -7.480 -4.039 1.00 0.00 C ATOM 421 CG PRO A 27 -15.940 -5.945 -4.096 1.00 0.00 C ATOM 422 CD PRO A 27 -15.365 -5.350 -2.805 1.00 0.00 C ATOM 0 HA PRO A 27 -15.751 -8.556 -2.117 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -15.214 -7.840 -4.878 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -16.792 -7.946 -4.123 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.406 -5.553 -4.962 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -16.986 -5.659 -4.210 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.534 -4.674 -3.005 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -16.113 -4.781 -2.253 1.00 0.00 H new ATOM 430 N ARG A 28 -13.106 -8.221 -3.974 1.00 0.00 N ATOM 431 CA ARG A 28 -11.805 -8.892 -4.258 1.00 0.00 C ATOM 432 C ARG A 28 -10.758 -7.868 -4.704 1.00 0.00 C ATOM 433 O ARG A 28 -11.073 -6.868 -5.318 1.00 0.00 O ATOM 434 CB ARG A 28 -12.104 -9.871 -5.393 1.00 0.00 C ATOM 435 CG ARG A 28 -13.067 -10.952 -4.899 1.00 0.00 C ATOM 436 CD ARG A 28 -13.279 -11.986 -6.008 1.00 0.00 C ATOM 437 NE ARG A 28 -14.366 -12.871 -5.504 1.00 0.00 N ATOM 438 CZ ARG A 28 -14.716 -13.927 -6.187 1.00 0.00 C ATOM 439 NH1 ARG A 28 -13.879 -14.464 -7.033 1.00 0.00 N ATOM 440 NH2 ARG A 28 -15.903 -14.444 -6.025 1.00 0.00 N ATOM 0 H ARG A 28 -13.367 -7.484 -4.629 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.403 -9.392 -3.377 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.541 -9.340 -6.239 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.179 -10.327 -5.746 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.664 -11.434 -4.008 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.020 -10.505 -4.616 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.562 -11.507 -6.946 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.367 -12.551 -6.201 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.837 -12.652 -4.626 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.952 -14.058 -7.160 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.152 -15.289 -7.567 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -16.557 -14.023 -5.365 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.177 -15.269 -6.558 1.00 0.00 H new ATOM 454 N VAL A 29 -9.510 -8.117 -4.407 1.00 0.00 N ATOM 455 CA VAL A 29 -8.434 -7.170 -4.818 1.00 0.00 C ATOM 456 C VAL A 29 -8.832 -5.726 -4.497 1.00 0.00 C ATOM 457 O VAL A 29 -9.594 -5.108 -5.213 1.00 0.00 O ATOM 458 CB VAL A 29 -8.296 -7.366 -6.328 1.00 0.00 C ATOM 459 CG1 VAL A 29 -7.070 -6.603 -6.833 1.00 0.00 C ATOM 460 CG2 VAL A 29 -8.133 -8.855 -6.635 1.00 0.00 C ATOM 0 H VAL A 29 -9.189 -8.939 -3.895 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.499 -7.358 -4.291 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.188 -6.987 -6.826 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.972 -6.743 -7.910 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.187 -5.542 -6.614 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.176 -6.980 -6.335 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.035 -8.996 -7.711 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.241 -9.234 -6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.007 -9.398 -6.276 1.00 0.00 H new ATOM 470 N GLY A 30 -8.313 -5.182 -3.430 1.00 0.00 N ATOM 471 CA GLY A 30 -8.655 -3.777 -3.069 1.00 0.00 C ATOM 472 C GLY A 30 -7.698 -2.824 -3.787 1.00 0.00 C ATOM 473 O GLY A 30 -6.847 -3.241 -4.548 1.00 0.00 O ATOM 0 H GLY A 30 -7.668 -5.649 -2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.685 -3.557 -3.351 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.583 -3.639 -1.990 1.00 0.00 H new ATOM 477 N LYS A 31 -7.830 -1.546 -3.554 1.00 0.00 N ATOM 478 CA LYS A 31 -6.925 -0.570 -4.227 1.00 0.00 C ATOM 479 C LYS A 31 -5.601 -0.458 -3.464 1.00 0.00 C ATOM 480 O LYS A 31 -4.763 -1.336 -3.530 1.00 0.00 O ATOM 481 CB LYS A 31 -7.683 0.758 -4.195 1.00 0.00 C ATOM 482 CG LYS A 31 -8.972 0.628 -5.011 1.00 0.00 C ATOM 483 CD LYS A 31 -9.667 1.989 -5.086 1.00 0.00 C ATOM 484 CE LYS A 31 -11.026 1.830 -5.774 1.00 0.00 C ATOM 485 NZ LYS A 31 -11.894 2.867 -5.147 1.00 0.00 N ATOM 0 H LYS A 31 -8.524 -1.136 -2.928 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.675 -0.871 -5.244 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.917 1.031 -3.166 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.060 1.555 -4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.745 0.268 -6.014 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.634 -0.106 -4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.800 2.397 -4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.048 2.696 -5.639 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.944 1.981 -6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.432 0.830 -5.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.845 2.823 -5.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.958 2.694 -4.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.486 3.809 -5.314 1.00 0.00 H new ATOM 499 N LEU A 32 -5.403 0.609 -2.740 1.00 0.00 N ATOM 500 CA LEU A 32 -4.132 0.766 -1.977 1.00 0.00 C ATOM 501 C LEU A 32 -4.395 0.608 -0.477 1.00 0.00 C ATOM 502 O LEU A 32 -5.413 1.034 0.031 1.00 0.00 O ATOM 503 CB LEU A 32 -3.653 2.183 -2.289 1.00 0.00 C ATOM 504 CG LEU A 32 -3.496 2.347 -3.801 1.00 0.00 C ATOM 505 CD1 LEU A 32 -2.911 3.727 -4.106 1.00 0.00 C ATOM 506 CD2 LEU A 32 -2.556 1.265 -4.337 1.00 0.00 C ATOM 0 H LEU A 32 -6.066 1.379 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.390 0.016 -2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.367 2.912 -1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.703 2.375 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.471 2.251 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.799 3.845 -5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.580 4.498 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.937 3.823 -3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.444 1.382 -5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.581 1.360 -3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.972 0.281 -4.120 1.00 0.00 H new ATOM 518 N ARG A 33 -3.488 -0.002 0.235 1.00 0.00 N ATOM 519 CA ARG A 33 -3.694 -0.184 1.701 1.00 0.00 C ATOM 520 C ARG A 33 -2.532 0.435 2.483 1.00 0.00 C ATOM 521 O ARG A 33 -1.782 -0.253 3.146 1.00 0.00 O ATOM 522 CB ARG A 33 -3.741 -1.698 1.909 1.00 0.00 C ATOM 523 CG ARG A 33 -4.942 -2.279 1.159 1.00 0.00 C ATOM 524 CD ARG A 33 -5.089 -3.763 1.502 1.00 0.00 C ATOM 525 NE ARG A 33 -3.811 -4.386 1.054 1.00 0.00 N ATOM 526 CZ ARG A 33 -3.675 -5.685 1.077 1.00 0.00 C ATOM 527 NH1 ARG A 33 -4.440 -6.406 1.850 1.00 0.00 N ATOM 528 NH2 ARG A 33 -2.775 -6.260 0.328 1.00 0.00 N ATOM 0 H ARG A 33 -2.616 -0.382 -0.133 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.603 0.303 2.054 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.819 -2.154 1.549 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -3.817 -1.928 2.972 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.850 -1.740 1.431 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.808 -2.155 0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.246 -3.908 2.571 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.945 -4.204 0.991 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.043 -3.798 0.730 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.143 -5.955 2.435 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.335 -7.420 1.869 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.177 -5.695 -0.276 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.669 -7.274 0.346 1.00 0.00 H new ATOM 542 N ASN A 34 -2.380 1.730 2.414 1.00 0.00 N ATOM 543 CA ASN A 34 -1.268 2.391 3.155 1.00 0.00 C ATOM 544 C ASN A 34 -1.796 3.596 3.940 1.00 0.00 C ATOM 545 O ASN A 34 -1.044 4.443 4.379 1.00 0.00 O ATOM 546 CB ASN A 34 -0.283 2.844 2.076 1.00 0.00 C ATOM 547 CG ASN A 34 -0.839 4.076 1.361 1.00 0.00 C ATOM 548 OD1 ASN A 34 -0.903 5.147 1.931 1.00 0.00 O ATOM 549 ND2 ASN A 34 -1.246 3.971 0.125 1.00 0.00 N ATOM 0 H ASN A 34 -2.978 2.358 1.877 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.801 1.722 3.877 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.683 3.076 2.525 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -0.117 2.039 1.360 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.617 4.787 -0.361 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.193 3.072 -0.355 1.00 0.00 H new ATOM 556 N PHE A 35 -3.086 3.680 4.116 1.00 0.00 N ATOM 557 CA PHE A 35 -3.665 4.828 4.870 1.00 0.00 C ATOM 558 C PHE A 35 -3.876 4.450 6.339 1.00 0.00 C ATOM 559 O PHE A 35 -4.462 5.191 7.103 1.00 0.00 O ATOM 560 CB PHE A 35 -5.007 5.106 4.191 1.00 0.00 C ATOM 561 CG PHE A 35 -5.661 6.305 4.835 1.00 0.00 C ATOM 562 CD1 PHE A 35 -5.384 7.593 4.362 1.00 0.00 C ATOM 563 CD2 PHE A 35 -6.545 6.127 5.907 1.00 0.00 C ATOM 564 CE1 PHE A 35 -5.991 8.704 4.959 1.00 0.00 C ATOM 565 CE2 PHE A 35 -7.152 7.238 6.503 1.00 0.00 C ATOM 566 CZ PHE A 35 -6.875 8.527 6.030 1.00 0.00 C ATOM 0 H PHE A 35 -3.765 3.002 3.770 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.011 5.700 4.860 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.857 5.289 3.127 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.657 4.235 4.276 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.702 7.730 3.536 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.758 5.133 6.273 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.777 9.698 4.593 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -7.835 7.101 7.329 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.343 9.384 6.491 1.00 0.00 H new ATOM 576 N ALA A 36 -3.405 3.300 6.741 1.00 0.00 N ATOM 577 CA ALA A 36 -3.583 2.879 8.161 1.00 0.00 C ATOM 578 C ALA A 36 -2.790 3.805 9.092 1.00 0.00 C ATOM 579 O ALA A 36 -1.665 4.157 8.800 1.00 0.00 O ATOM 580 CB ALA A 36 -3.027 1.456 8.224 1.00 0.00 C ATOM 0 H ALA A 36 -2.906 2.636 6.149 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.625 2.926 8.478 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.122 1.073 9.240 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.587 0.816 7.542 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.976 1.463 7.935 1.00 0.00 H new ATOM 586 N PRO A 37 -3.405 4.168 10.189 1.00 0.00 N ATOM 587 CA PRO A 37 -2.750 5.060 11.175 1.00 0.00 C ATOM 588 C PRO A 37 -1.498 4.392 11.755 1.00 0.00 C ATOM 589 O PRO A 37 -0.829 3.626 11.091 1.00 0.00 O ATOM 590 CB PRO A 37 -3.832 5.228 12.246 1.00 0.00 C ATOM 591 CG PRO A 37 -5.075 4.419 11.826 1.00 0.00 C ATOM 592 CD PRO A 37 -4.779 3.709 10.499 1.00 0.00 C ATOM 0 HA PRO A 37 -2.412 6.007 10.754 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.464 4.881 13.212 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.088 6.281 12.362 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.328 3.690 12.596 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.935 5.079 11.717 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.832 2.625 10.598 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.487 3.993 9.720 1.00 0.00 H new ATOM 600 N ILE A 38 -1.180 4.676 12.989 1.00 0.00 N ATOM 601 CA ILE A 38 0.025 4.055 13.609 1.00 0.00 C ATOM 602 C ILE A 38 -0.375 3.255 14.853 1.00 0.00 C ATOM 603 O ILE A 38 -1.450 3.440 15.387 1.00 0.00 O ATOM 604 CB ILE A 38 0.929 5.230 13.993 1.00 0.00 C ATOM 605 CG1 ILE A 38 0.110 6.283 14.749 1.00 0.00 C ATOM 606 CG2 ILE A 38 1.529 5.848 12.727 1.00 0.00 C ATOM 607 CD1 ILE A 38 -0.552 7.243 13.757 1.00 0.00 C ATOM 0 H ILE A 38 -1.702 5.310 13.594 1.00 0.00 H new ATOM 0 HA ILE A 38 0.526 3.363 12.932 1.00 0.00 H new ATOM 0 HB ILE A 38 1.735 4.875 14.636 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.651 5.795 15.358 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.756 6.838 15.429 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.172 6.684 13.000 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.115 5.097 12.198 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.727 6.204 12.080 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.132 7.987 14.303 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.216 7.743 13.166 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.212 6.683 13.095 1.00 0.00 H new ATOM 619 N PRO A 39 0.508 2.389 15.273 1.00 0.00 N ATOM 620 CA PRO A 39 0.250 1.548 16.465 1.00 0.00 C ATOM 621 C PRO A 39 0.064 2.423 17.708 1.00 0.00 C ATOM 622 O PRO A 39 0.360 3.601 17.699 1.00 0.00 O ATOM 623 CB PRO A 39 1.526 0.709 16.568 1.00 0.00 C ATOM 624 CG PRO A 39 2.475 1.108 15.420 1.00 0.00 C ATOM 625 CD PRO A 39 1.805 2.205 14.582 1.00 0.00 C ATOM 0 HA PRO A 39 -0.655 0.945 16.389 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.009 0.873 17.531 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.286 -0.353 16.508 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.423 1.466 15.821 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.699 0.242 14.798 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.393 3.123 14.571 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.672 1.899 13.544 1.00 0.00 H new ATOM 633 N GLY A 40 -0.426 1.857 18.776 1.00 0.00 N ATOM 634 CA GLY A 40 -0.630 2.657 20.016 1.00 0.00 C ATOM 635 C GLY A 40 -2.113 3.005 20.157 1.00 0.00 C ATOM 636 O GLY A 40 -2.499 3.780 21.009 1.00 0.00 O ATOM 0 H GLY A 40 -0.694 0.875 18.844 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.293 2.093 20.886 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.033 3.568 19.977 1.00 0.00 H new ATOM 640 N GLU A 41 -2.947 2.438 19.329 1.00 0.00 N ATOM 641 CA GLU A 41 -4.406 2.736 19.417 1.00 0.00 C ATOM 642 C GLU A 41 -5.198 1.439 19.605 1.00 0.00 C ATOM 643 O GLU A 41 -5.811 0.949 18.679 1.00 0.00 O ATOM 644 CB GLU A 41 -4.758 3.389 18.081 1.00 0.00 C ATOM 645 CG GLU A 41 -6.245 3.747 18.065 1.00 0.00 C ATOM 646 CD GLU A 41 -6.421 5.216 18.453 1.00 0.00 C ATOM 647 OE1 GLU A 41 -5.585 5.717 19.187 1.00 0.00 O ATOM 648 OE2 GLU A 41 -7.386 5.815 18.010 1.00 0.00 O ATOM 0 H GLU A 41 -2.682 1.781 18.595 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.646 3.382 20.262 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.156 4.285 17.932 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.528 2.710 17.260 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.662 3.569 17.074 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.791 3.109 18.760 1.00 0.00 H new ATOM 655 N PRO A 42 -5.154 0.925 20.806 1.00 0.00 N ATOM 656 CA PRO A 42 -5.872 -0.330 21.129 1.00 0.00 C ATOM 657 C PRO A 42 -7.378 -0.166 20.901 1.00 0.00 C ATOM 658 O PRO A 42 -7.948 0.870 21.177 1.00 0.00 O ATOM 659 CB PRO A 42 -5.557 -0.525 22.615 1.00 0.00 C ATOM 660 CG PRO A 42 -4.661 0.638 23.087 1.00 0.00 C ATOM 661 CD PRO A 42 -4.391 1.570 21.899 1.00 0.00 C ATOM 0 HA PRO A 42 -5.572 -1.177 20.511 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.479 -0.552 23.196 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.053 -1.478 22.772 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.148 1.186 23.893 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.722 0.253 23.485 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.738 2.585 22.092 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.328 1.635 21.668 1.00 0.00 H new ATOM 669 N VAL A 43 -8.022 -1.182 20.398 1.00 0.00 N ATOM 670 CA VAL A 43 -9.488 -1.088 20.152 1.00 0.00 C ATOM 671 C VAL A 43 -10.226 -2.175 20.937 1.00 0.00 C ATOM 672 O VAL A 43 -10.925 -2.994 20.374 1.00 0.00 O ATOM 673 CB VAL A 43 -9.648 -1.307 18.647 1.00 0.00 C ATOM 674 CG1 VAL A 43 -8.761 -0.316 17.891 1.00 0.00 C ATOM 675 CG2 VAL A 43 -9.232 -2.737 18.293 1.00 0.00 C ATOM 0 H VAL A 43 -7.596 -2.074 20.146 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.903 -0.132 20.471 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.689 -1.151 18.365 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.874 -0.471 16.818 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.056 0.702 18.143 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.720 -0.472 18.172 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.346 -2.894 17.220 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.191 -2.893 18.574 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.863 -3.444 18.832 1.00 0.00 H new ATOM 685 N VAL A 44 -10.075 -2.191 22.234 1.00 0.00 N ATOM 686 CA VAL A 44 -10.767 -3.229 23.052 1.00 0.00 C ATOM 687 C VAL A 44 -11.305 -2.613 24.351 1.00 0.00 C ATOM 688 O VAL A 44 -10.870 -2.966 25.430 1.00 0.00 O ATOM 689 CB VAL A 44 -9.692 -4.277 23.353 1.00 0.00 C ATOM 690 CG1 VAL A 44 -10.354 -5.564 23.855 1.00 0.00 C ATOM 691 CG2 VAL A 44 -8.903 -4.581 22.078 1.00 0.00 C ATOM 0 H VAL A 44 -9.503 -1.531 22.762 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.622 -3.662 22.533 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.018 -3.891 24.118 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.587 -6.308 24.069 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.918 -5.353 24.764 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.029 -5.948 23.090 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.138 -5.327 22.293 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.580 -4.965 21.314 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.429 -3.668 21.717 1.00 0.00 H new ATOM 701 N PRO A 45 -12.244 -1.713 24.201 1.00 0.00 N ATOM 702 CA PRO A 45 -12.862 -1.040 25.370 1.00 0.00 C ATOM 703 C PRO A 45 -13.523 -2.080 26.285 1.00 0.00 C ATOM 704 O PRO A 45 -12.884 -3.016 26.722 1.00 0.00 O ATOM 705 CB PRO A 45 -13.894 -0.114 24.712 1.00 0.00 C ATOM 706 CG PRO A 45 -13.821 -0.296 23.184 1.00 0.00 C ATOM 707 CD PRO A 45 -12.733 -1.327 22.858 1.00 0.00 C ATOM 0 HA PRO A 45 -12.160 -0.500 26.005 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.896 -0.348 25.073 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.694 0.924 24.978 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.784 -0.629 22.798 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.596 0.655 22.701 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.134 -2.181 22.311 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.940 -0.900 22.245 1.00 0.00 H new ATOM 715 N ILE A 46 -14.794 -1.950 26.564 1.00 0.00 N ATOM 716 CA ILE A 46 -15.459 -2.965 27.428 1.00 0.00 C ATOM 717 C ILE A 46 -15.493 -4.279 26.657 1.00 0.00 C ATOM 718 O ILE A 46 -15.364 -5.354 27.206 1.00 0.00 O ATOM 719 CB ILE A 46 -16.872 -2.433 27.666 1.00 0.00 C ATOM 720 CG1 ILE A 46 -16.793 -1.008 28.220 1.00 0.00 C ATOM 721 CG2 ILE A 46 -17.594 -3.332 28.672 1.00 0.00 C ATOM 722 CD1 ILE A 46 -15.779 -0.961 29.364 1.00 0.00 C ATOM 0 H ILE A 46 -15.393 -1.193 26.234 1.00 0.00 H new ATOM 0 HA ILE A 46 -14.949 -3.135 28.376 1.00 0.00 H new ATOM 0 HB ILE A 46 -17.422 -2.428 26.725 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -16.500 -0.315 27.431 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -17.773 -0.690 28.575 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -18.602 -2.952 28.842 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -17.650 -4.347 28.278 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -17.045 -3.338 29.614 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -15.722 0.053 29.759 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -16.092 -1.642 30.156 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -14.799 -1.261 28.994 1.00 0.00 H new ATOM 734 N LEU A 47 -15.633 -4.171 25.369 1.00 0.00 N ATOM 735 CA LEU A 47 -15.644 -5.366 24.492 1.00 0.00 C ATOM 736 C LEU A 47 -14.773 -5.057 23.275 1.00 0.00 C ATOM 737 O LEU A 47 -13.582 -5.299 23.276 1.00 0.00 O ATOM 738 CB LEU A 47 -17.109 -5.561 24.094 1.00 0.00 C ATOM 739 CG LEU A 47 -17.965 -5.712 25.355 1.00 0.00 C ATOM 740 CD1 LEU A 47 -19.413 -6.002 24.955 1.00 0.00 C ATOM 741 CD2 LEU A 47 -17.430 -6.866 26.204 1.00 0.00 C ATOM 0 H LEU A 47 -15.743 -3.284 24.878 1.00 0.00 H new ATOM 0 HA LEU A 47 -15.256 -6.267 24.967 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -17.454 -4.710 23.507 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -17.211 -6.445 23.464 1.00 0.00 H new ATOM 0 HG LEU A 47 -17.924 -4.789 25.933 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -20.024 -6.110 25.852 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -19.796 -5.179 24.352 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -19.453 -6.925 24.376 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -18.041 -6.972 27.101 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -17.469 -7.790 25.628 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -16.399 -6.660 26.490 1.00 0.00 H new ATOM 753 N CYS A 48 -15.347 -4.505 22.241 1.00 0.00 N ATOM 754 CA CYS A 48 -14.544 -4.158 21.036 1.00 0.00 C ATOM 755 C CYS A 48 -14.789 -2.688 20.679 1.00 0.00 C ATOM 756 O CYS A 48 -15.897 -2.198 20.765 1.00 0.00 O ATOM 757 CB CYS A 48 -15.062 -5.080 19.931 1.00 0.00 C ATOM 758 SG CYS A 48 -14.709 -6.801 20.367 1.00 0.00 S ATOM 0 H CYS A 48 -16.340 -4.279 22.179 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.472 -4.285 21.187 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -16.135 -4.940 19.799 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.588 -4.830 18.982 1.00 0.00 H new ATOM 763 N SER A 49 -13.766 -1.975 20.298 1.00 0.00 N ATOM 764 CA SER A 49 -13.950 -0.533 19.960 1.00 0.00 C ATOM 765 C SER A 49 -14.890 -0.363 18.764 1.00 0.00 C ATOM 766 O SER A 49 -16.022 0.053 18.906 1.00 0.00 O ATOM 767 CB SER A 49 -12.551 -0.022 19.620 1.00 0.00 C ATOM 768 OG SER A 49 -12.535 1.396 19.693 1.00 0.00 O ATOM 0 H SER A 49 -12.813 -2.326 20.206 1.00 0.00 H new ATOM 0 HA SER A 49 -14.401 0.019 20.785 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.821 -0.441 20.313 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.266 -0.349 18.620 1.00 0.00 H new ATOM 0 HG SER A 49 -11.637 1.725 19.477 1.00 0.00 H new ATOM 774 N ASN A 50 -14.424 -0.668 17.587 1.00 0.00 N ATOM 775 CA ASN A 50 -15.280 -0.509 16.375 1.00 0.00 C ATOM 776 C ASN A 50 -16.248 -1.690 16.232 1.00 0.00 C ATOM 777 O ASN A 50 -15.830 -2.806 15.994 1.00 0.00 O ATOM 778 CB ASN A 50 -14.298 -0.478 15.205 1.00 0.00 C ATOM 779 CG ASN A 50 -13.879 0.967 14.934 1.00 0.00 C ATOM 780 OD1 ASN A 50 -14.668 1.879 15.080 1.00 0.00 O ATOM 781 ND2 ASN A 50 -12.660 1.218 14.543 1.00 0.00 N ATOM 0 H ASN A 50 -13.484 -1.022 17.409 1.00 0.00 H new ATOM 0 HA ASN A 50 -15.894 0.390 16.424 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.423 -1.086 15.434 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.760 -0.907 14.316 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.371 2.179 14.360 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.996 0.453 14.420 1.00 0.00 H new ATOM 788 N PRO A 51 -17.520 -1.402 16.373 1.00 0.00 N ATOM 789 CA PRO A 51 -18.562 -2.451 16.248 1.00 0.00 C ATOM 790 C PRO A 51 -18.586 -3.010 14.822 1.00 0.00 C ATOM 791 O PRO A 51 -19.269 -3.972 14.532 1.00 0.00 O ATOM 792 CB PRO A 51 -19.850 -1.683 16.553 1.00 0.00 C ATOM 793 CG PRO A 51 -19.494 -0.211 16.839 1.00 0.00 C ATOM 794 CD PRO A 51 -17.982 -0.026 16.668 1.00 0.00 C ATOM 0 HA PRO A 51 -18.405 -3.307 16.904 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -20.537 -1.748 15.709 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -20.357 -2.122 17.412 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -20.034 0.447 16.158 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -19.795 0.060 17.851 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -17.747 0.663 15.857 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.518 0.373 17.570 1.00 0.00 H new ATOM 802 N ASN A 52 -17.838 -2.416 13.933 1.00 0.00 N ATOM 803 CA ASN A 52 -17.810 -2.910 12.528 1.00 0.00 C ATOM 804 C ASN A 52 -16.362 -3.110 12.076 1.00 0.00 C ATOM 805 O ASN A 52 -16.032 -2.944 10.918 1.00 0.00 O ATOM 806 CB ASN A 52 -18.490 -1.815 11.704 1.00 0.00 C ATOM 807 CG ASN A 52 -19.953 -1.686 12.132 1.00 0.00 C ATOM 808 OD1 ASN A 52 -20.512 -0.608 12.110 1.00 0.00 O ATOM 809 ND2 ASN A 52 -20.599 -2.748 12.524 1.00 0.00 N ATOM 0 H ASN A 52 -17.244 -1.608 14.120 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.315 -3.869 12.414 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -17.974 -0.865 11.846 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.431 -2.055 10.642 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -21.575 -2.674 12.812 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -20.129 -3.653 12.542 1.00 0.00 H new ATOM 816 N PHE A 53 -15.500 -3.477 12.983 1.00 0.00 N ATOM 817 CA PHE A 53 -14.072 -3.704 12.613 1.00 0.00 C ATOM 818 C PHE A 53 -13.939 -5.084 11.971 1.00 0.00 C ATOM 819 O PHE A 53 -14.924 -5.772 11.793 1.00 0.00 O ATOM 820 CB PHE A 53 -13.300 -3.629 13.938 1.00 0.00 C ATOM 821 CG PHE A 53 -13.267 -4.991 14.600 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.463 -5.663 14.879 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.038 -5.580 14.937 1.00 0.00 C ATOM 824 CE1 PHE A 53 -14.434 -6.921 15.494 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.011 -6.840 15.552 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.208 -7.510 15.829 1.00 0.00 C ATOM 0 H PHE A 53 -15.722 -3.630 13.967 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.692 -2.976 11.897 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.284 -3.280 13.756 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.772 -2.905 14.602 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.409 -5.211 14.620 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.114 -5.063 14.723 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.358 -7.437 15.710 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.066 -7.294 15.812 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.187 -8.481 16.301 1.00 0.00 H new ATOM 836 N PRO A 54 -12.730 -5.462 11.653 1.00 0.00 N ATOM 837 CA PRO A 54 -12.498 -6.786 11.044 1.00 0.00 C ATOM 838 C PRO A 54 -13.001 -7.869 11.998 1.00 0.00 C ATOM 839 O PRO A 54 -12.236 -8.531 12.669 1.00 0.00 O ATOM 840 CB PRO A 54 -10.976 -6.821 10.879 1.00 0.00 C ATOM 841 CG PRO A 54 -10.394 -5.489 11.393 1.00 0.00 C ATOM 842 CD PRO A 54 -11.546 -4.603 11.886 1.00 0.00 C ATOM 0 HA PRO A 54 -13.014 -6.955 10.099 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.554 -7.658 11.436 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.712 -6.970 9.832 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.687 -5.673 12.202 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.844 -4.985 10.598 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.435 -4.341 12.938 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.606 -3.668 11.329 1.00 0.00 H new ATOM 850 N GLU A 55 -14.293 -8.025 12.078 1.00 0.00 N ATOM 851 CA GLU A 55 -14.878 -9.033 13.005 1.00 0.00 C ATOM 852 C GLU A 55 -14.036 -10.309 13.011 1.00 0.00 C ATOM 853 O GLU A 55 -13.921 -10.976 14.020 1.00 0.00 O ATOM 854 CB GLU A 55 -16.278 -9.300 12.461 1.00 0.00 C ATOM 855 CG GLU A 55 -17.015 -10.261 13.396 1.00 0.00 C ATOM 856 CD GLU A 55 -18.389 -10.588 12.812 1.00 0.00 C ATOM 857 OE1 GLU A 55 -18.669 -10.131 11.716 1.00 0.00 O ATOM 858 OE2 GLU A 55 -19.140 -11.289 13.469 1.00 0.00 O ATOM 0 H GLU A 55 -14.974 -7.493 11.536 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.905 -8.681 14.036 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.831 -8.364 12.375 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -16.215 -9.726 11.460 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.436 -11.175 13.525 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.125 -9.812 14.383 1.00 0.00 H new ATOM 865 N GLU A 56 -13.428 -10.651 11.909 1.00 0.00 N ATOM 866 CA GLU A 56 -12.580 -11.876 11.897 1.00 0.00 C ATOM 867 C GLU A 56 -11.583 -11.791 13.055 1.00 0.00 C ATOM 868 O GLU A 56 -11.112 -12.788 13.566 1.00 0.00 O ATOM 869 CB GLU A 56 -11.853 -11.856 10.552 1.00 0.00 C ATOM 870 CG GLU A 56 -11.176 -13.208 10.319 1.00 0.00 C ATOM 871 CD GLU A 56 -10.438 -13.187 8.980 1.00 0.00 C ATOM 872 OE1 GLU A 56 -10.345 -12.120 8.394 1.00 0.00 O ATOM 873 OE2 GLU A 56 -9.978 -14.237 8.562 1.00 0.00 O ATOM 0 H GLU A 56 -13.480 -10.143 11.026 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.155 -12.794 12.015 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.559 -11.647 9.748 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.110 -11.058 10.540 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.477 -13.420 11.128 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.920 -14.004 10.323 1.00 0.00 H new ATOM 880 N LEU A 57 -11.282 -10.593 13.482 1.00 0.00 N ATOM 881 CA LEU A 57 -10.335 -10.406 14.618 1.00 0.00 C ATOM 882 C LEU A 57 -11.096 -10.513 15.942 1.00 0.00 C ATOM 883 O LEU A 57 -10.533 -10.372 17.010 1.00 0.00 O ATOM 884 CB LEU A 57 -9.772 -8.996 14.441 1.00 0.00 C ATOM 885 CG LEU A 57 -8.910 -8.942 13.177 1.00 0.00 C ATOM 886 CD1 LEU A 57 -8.552 -7.489 12.867 1.00 0.00 C ATOM 887 CD2 LEU A 57 -7.626 -9.738 13.398 1.00 0.00 C ATOM 0 H LEU A 57 -11.655 -9.729 13.088 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.545 -11.157 14.631 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.586 -8.275 14.369 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.177 -8.719 15.311 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.466 -9.370 12.343 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.938 -7.450 11.967 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.465 -6.915 12.709 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.997 -7.065 13.704 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.014 -9.698 12.497 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.071 -9.309 14.233 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.875 -10.775 13.622 1.00 0.00 H new ATOM 899 N LYS A 58 -12.377 -10.763 15.874 1.00 0.00 N ATOM 900 CA LYS A 58 -13.187 -10.883 17.119 1.00 0.00 C ATOM 901 C LYS A 58 -12.413 -11.660 18.190 1.00 0.00 C ATOM 902 O LYS A 58 -12.312 -11.211 19.315 1.00 0.00 O ATOM 903 CB LYS A 58 -14.452 -11.636 16.701 1.00 0.00 C ATOM 904 CG LYS A 58 -15.148 -12.201 17.943 1.00 0.00 C ATOM 905 CD LYS A 58 -15.209 -13.727 17.847 1.00 0.00 C ATOM 906 CE LYS A 58 -16.201 -14.129 16.754 1.00 0.00 C ATOM 907 NZ LYS A 58 -16.439 -15.584 16.968 1.00 0.00 N ATOM 0 H LYS A 58 -12.898 -10.889 15.006 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.422 -9.911 17.553 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.126 -10.966 16.167 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.197 -12.444 16.016 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.608 -11.904 18.842 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.155 -11.791 18.026 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.221 -14.128 17.622 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.514 -14.151 18.804 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.128 -13.561 16.834 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.794 -13.937 15.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.111 -15.934 16.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.540 -16.099 16.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.833 -15.735 17.919 1.00 0.00 H new ATOM 921 N PRO A 59 -11.884 -12.800 17.818 1.00 0.00 N ATOM 922 CA PRO A 59 -11.116 -13.618 18.780 1.00 0.00 C ATOM 923 C PRO A 59 -10.002 -12.788 19.422 1.00 0.00 C ATOM 924 O PRO A 59 -9.739 -12.899 20.603 1.00 0.00 O ATOM 925 CB PRO A 59 -10.553 -14.737 17.899 1.00 0.00 C ATOM 926 CG PRO A 59 -11.038 -14.514 16.453 1.00 0.00 C ATOM 927 CD PRO A 59 -12.015 -13.331 16.439 1.00 0.00 C ATOM 0 HA PRO A 59 -11.710 -13.995 19.612 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -9.464 -14.737 17.937 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.885 -15.709 18.264 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -10.191 -14.312 15.797 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.527 -15.412 16.076 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.744 -12.588 15.689 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.035 -13.648 16.220 1.00 0.00 H new ATOM 935 N LEU A 60 -9.343 -11.951 18.662 1.00 0.00 N ATOM 936 CA LEU A 60 -8.254 -11.125 19.253 1.00 0.00 C ATOM 937 C LEU A 60 -8.841 -10.110 20.237 1.00 0.00 C ATOM 938 O LEU A 60 -8.210 -9.736 21.205 1.00 0.00 O ATOM 939 CB LEU A 60 -7.602 -10.413 18.067 1.00 0.00 C ATOM 940 CG LEU A 60 -6.994 -11.446 17.111 1.00 0.00 C ATOM 941 CD1 LEU A 60 -5.917 -10.776 16.255 1.00 0.00 C ATOM 942 CD2 LEU A 60 -6.363 -12.587 17.912 1.00 0.00 C ATOM 0 H LEU A 60 -9.512 -11.806 17.667 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.533 -11.726 19.807 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.342 -9.809 17.542 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.828 -9.732 18.421 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.780 -11.845 16.470 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.484 -11.510 15.575 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.363 -9.965 15.678 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.136 -10.375 16.901 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.933 -13.318 17.227 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.580 -12.189 18.557 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.127 -13.068 18.523 1.00 0.00 H new ATOM 954 N CYS A 61 -10.045 -9.666 20.000 1.00 0.00 N ATOM 955 CA CYS A 61 -10.669 -8.680 20.927 1.00 0.00 C ATOM 956 C CYS A 61 -10.986 -9.347 22.267 1.00 0.00 C ATOM 957 O CYS A 61 -11.039 -8.702 23.295 1.00 0.00 O ATOM 958 CB CYS A 61 -11.955 -8.239 20.226 1.00 0.00 C ATOM 959 SG CYS A 61 -12.775 -6.965 21.218 1.00 0.00 S ATOM 0 H CYS A 61 -10.623 -9.943 19.206 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.013 -7.836 21.140 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.726 -7.851 19.233 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.619 -9.093 20.090 1.00 0.00 H new ATOM 964 N LYS A 62 -11.189 -10.636 22.266 1.00 0.00 N ATOM 965 CA LYS A 62 -11.491 -11.343 23.544 1.00 0.00 C ATOM 966 C LYS A 62 -10.200 -11.932 24.102 1.00 0.00 C ATOM 967 O LYS A 62 -10.210 -12.850 24.898 1.00 0.00 O ATOM 968 CB LYS A 62 -12.469 -12.455 23.166 1.00 0.00 C ATOM 969 CG LYS A 62 -13.746 -11.841 22.588 1.00 0.00 C ATOM 970 CD LYS A 62 -14.755 -12.952 22.289 1.00 0.00 C ATOM 971 CE LYS A 62 -15.995 -12.350 21.626 1.00 0.00 C ATOM 972 NZ LYS A 62 -17.022 -12.309 22.706 1.00 0.00 N ATOM 0 H LYS A 62 -11.159 -11.230 21.437 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.912 -10.685 24.304 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.012 -13.123 22.436 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.707 -13.057 24.043 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.172 -11.129 23.294 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.517 -11.288 21.677 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.306 -13.699 21.634 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -15.034 -13.462 23.211 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.791 -11.353 21.236 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.329 -12.958 20.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.905 -11.908 22.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.200 -13.273 23.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.678 -11.718 23.489 1.00 0.00 H new ATOM 986 N GLU A 63 -9.087 -11.413 23.670 1.00 0.00 N ATOM 987 CA GLU A 63 -7.779 -11.937 24.144 1.00 0.00 C ATOM 988 C GLU A 63 -7.037 -10.874 24.953 1.00 0.00 C ATOM 989 O GLU A 63 -7.067 -9.707 24.614 1.00 0.00 O ATOM 990 CB GLU A 63 -7.010 -12.243 22.860 1.00 0.00 C ATOM 991 CG GLU A 63 -6.889 -13.755 22.653 1.00 0.00 C ATOM 992 CD GLU A 63 -8.058 -14.483 23.321 1.00 0.00 C ATOM 993 OE1 GLU A 63 -9.103 -14.582 22.700 1.00 0.00 O ATOM 994 OE2 GLU A 63 -7.887 -14.930 24.445 1.00 0.00 O ATOM 0 H GLU A 63 -9.027 -10.643 23.004 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.891 -12.807 24.791 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.520 -11.793 22.008 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.017 -11.796 22.909 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.873 -13.982 21.587 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.946 -14.111 23.069 1.00 0.00 H new ATOM 1001 N PRO A 64 -6.376 -11.312 25.990 1.00 0.00 N ATOM 1002 CA PRO A 64 -5.599 -10.385 26.836 1.00 0.00 C ATOM 1003 C PRO A 64 -4.479 -9.755 26.005 1.00 0.00 C ATOM 1004 O PRO A 64 -4.019 -8.666 26.283 1.00 0.00 O ATOM 1005 CB PRO A 64 -5.036 -11.307 27.920 1.00 0.00 C ATOM 1006 CG PRO A 64 -5.522 -12.745 27.645 1.00 0.00 C ATOM 1007 CD PRO A 64 -6.370 -12.744 26.368 1.00 0.00 C ATOM 0 HA PRO A 64 -6.178 -9.558 27.248 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.947 -11.269 27.920 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.366 -10.978 28.905 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.671 -13.416 27.532 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.108 -13.113 28.487 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.932 -13.368 25.589 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.377 -13.120 26.549 1.00 0.00 H new ATOM 1015 N ASN A 65 -4.037 -10.441 24.981 1.00 0.00 N ATOM 1016 CA ASN A 65 -2.945 -9.886 24.131 1.00 0.00 C ATOM 1017 C ASN A 65 -3.522 -8.977 23.040 1.00 0.00 C ATOM 1018 O ASN A 65 -2.793 -8.349 22.297 1.00 0.00 O ATOM 1019 CB ASN A 65 -2.272 -11.110 23.508 1.00 0.00 C ATOM 1020 CG ASN A 65 -1.766 -12.034 24.619 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -1.596 -11.612 25.745 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -1.518 -13.286 24.347 1.00 0.00 N ATOM 0 H ASN A 65 -4.385 -11.358 24.699 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.245 -9.279 24.706 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.979 -11.642 22.871 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.443 -10.799 22.873 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.181 -13.910 25.080 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.661 -13.640 23.401 1.00 0.00 H new ATOM 1029 N ALA A 66 -4.822 -8.896 22.935 1.00 0.00 N ATOM 1030 CA ALA A 66 -5.428 -8.024 21.889 1.00 0.00 C ATOM 1031 C ALA A 66 -4.722 -6.667 21.862 1.00 0.00 C ATOM 1032 O ALA A 66 -4.509 -6.087 20.816 1.00 0.00 O ATOM 1033 CB ALA A 66 -6.889 -7.858 22.307 1.00 0.00 C ATOM 0 H ALA A 66 -5.487 -9.394 23.526 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.337 -8.452 20.891 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.405 -7.226 21.584 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.370 -8.835 22.343 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.935 -7.394 23.292 1.00 0.00 H new ATOM 1039 N GLN A 67 -4.359 -6.154 23.006 1.00 0.00 N ATOM 1040 CA GLN A 67 -3.669 -4.834 23.046 1.00 0.00 C ATOM 1041 C GLN A 67 -2.368 -4.892 22.243 1.00 0.00 C ATOM 1042 O GLN A 67 -2.032 -3.972 21.522 1.00 0.00 O ATOM 1043 CB GLN A 67 -3.379 -4.585 24.525 1.00 0.00 C ATOM 1044 CG GLN A 67 -4.700 -4.435 25.284 1.00 0.00 C ATOM 1045 CD GLN A 67 -4.411 -4.201 26.767 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -3.307 -4.419 27.226 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -5.365 -3.764 27.544 1.00 0.00 N ATOM 0 H GLN A 67 -4.511 -6.592 23.915 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.273 -4.038 22.610 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.802 -5.412 24.938 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -2.775 -3.685 24.642 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.273 -3.601 24.878 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.308 -5.331 25.158 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.292 -3.581 27.160 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.183 -3.606 28.535 1.00 0.00 H new ATOM 1056 N GLU A 68 -1.633 -5.965 22.354 1.00 0.00 N ATOM 1057 CA GLU A 68 -0.358 -6.074 21.589 1.00 0.00 C ATOM 1058 C GLU A 68 -0.646 -6.485 20.142 1.00 0.00 C ATOM 1059 O GLU A 68 -0.027 -6.003 19.214 1.00 0.00 O ATOM 1060 CB GLU A 68 0.444 -7.159 22.307 1.00 0.00 C ATOM 1061 CG GLU A 68 0.751 -6.701 23.735 1.00 0.00 C ATOM 1062 CD GLU A 68 1.571 -7.777 24.449 1.00 0.00 C ATOM 1063 OE1 GLU A 68 1.696 -8.860 23.901 1.00 0.00 O ATOM 1064 OE2 GLU A 68 2.059 -7.499 25.533 1.00 0.00 O ATOM 0 H GLU A 68 -1.859 -6.769 22.940 1.00 0.00 H new ATOM 0 HA GLU A 68 0.183 -5.129 21.549 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.120 -8.092 22.325 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.371 -7.358 21.769 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.302 -5.761 23.716 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.177 -6.516 24.277 1.00 0.00 H new ATOM 1071 N ILE A 69 -1.584 -7.372 19.944 1.00 0.00 N ATOM 1072 CA ILE A 69 -1.912 -7.815 18.558 1.00 0.00 C ATOM 1073 C ILE A 69 -2.443 -6.636 17.740 1.00 0.00 C ATOM 1074 O ILE A 69 -2.021 -6.400 16.625 1.00 0.00 O ATOM 1075 CB ILE A 69 -3.000 -8.875 18.724 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.454 -10.049 19.539 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -3.438 -9.371 17.344 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.579 -11.052 19.805 1.00 0.00 C ATOM 0 H ILE A 69 -2.137 -7.809 20.682 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.039 -8.204 18.034 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.854 -8.441 19.245 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.641 -10.533 18.999 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.041 -9.690 20.482 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.214 -10.128 17.459 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.829 -8.535 16.764 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.583 -9.804 16.825 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.191 -11.889 20.386 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.378 -10.563 20.363 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.971 -11.419 18.856 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.368 -5.897 18.285 1.00 0.00 N ATOM 1091 CA LEU A 70 -3.930 -4.735 17.541 1.00 0.00 C ATOM 1092 C LEU A 70 -2.803 -3.820 17.061 1.00 0.00 C ATOM 1093 O LEU A 70 -2.707 -3.498 15.893 1.00 0.00 O ATOM 1094 CB LEU A 70 -4.819 -4.008 18.552 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.262 -2.659 17.977 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -4.131 -1.641 18.136 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -5.603 -2.816 16.494 1.00 0.00 C ATOM 0 H LEU A 70 -3.760 -6.047 19.215 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.488 -5.042 16.656 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.691 -4.618 18.787 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.276 -3.856 19.485 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.144 -2.311 18.514 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.446 -0.681 17.727 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.892 -1.524 19.193 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.248 -1.991 17.601 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.918 -1.854 16.089 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.724 -3.167 15.954 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.411 -3.539 16.381 1.00 0.00 H new ATOM 1109 N GLN A 71 -1.946 -3.398 17.949 1.00 0.00 N ATOM 1110 CA GLN A 71 -0.827 -2.504 17.537 1.00 0.00 C ATOM 1111 C GLN A 71 -0.122 -3.067 16.302 1.00 0.00 C ATOM 1112 O GLN A 71 0.011 -2.404 15.294 1.00 0.00 O ATOM 1113 CB GLN A 71 0.128 -2.491 18.729 1.00 0.00 C ATOM 1114 CG GLN A 71 -0.557 -1.841 19.932 1.00 0.00 C ATOM 1115 CD GLN A 71 0.414 -1.817 21.113 1.00 0.00 C ATOM 1116 OE1 GLN A 71 0.647 -2.829 21.745 1.00 0.00 O ATOM 1117 NE2 GLN A 71 0.998 -0.697 21.438 1.00 0.00 N ATOM 0 H GLN A 71 -1.972 -3.633 18.941 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.176 -1.505 17.277 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.430 -3.509 18.976 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.035 -1.942 18.475 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.870 -0.827 19.683 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.457 -2.396 20.197 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.803 0.152 20.908 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.650 -0.671 22.222 1.00 0.00 H new ATOM 1126 N ARG A 72 0.333 -4.287 16.377 1.00 0.00 N ATOM 1127 CA ARG A 72 1.035 -4.894 15.211 1.00 0.00 C ATOM 1128 C ARG A 72 0.201 -4.714 13.940 1.00 0.00 C ATOM 1129 O ARG A 72 0.681 -4.229 12.935 1.00 0.00 O ATOM 1130 CB ARG A 72 1.174 -6.376 15.560 1.00 0.00 C ATOM 1131 CG ARG A 72 2.075 -6.527 16.788 1.00 0.00 C ATOM 1132 CD ARG A 72 2.319 -8.012 17.061 1.00 0.00 C ATOM 1133 NE ARG A 72 3.045 -8.047 18.362 1.00 0.00 N ATOM 1134 CZ ARG A 72 3.106 -9.158 19.046 1.00 0.00 C ATOM 1135 NH1 ARG A 72 4.250 -9.768 19.200 1.00 0.00 N ATOM 1136 NH2 ARG A 72 2.023 -9.658 19.578 1.00 0.00 N ATOM 0 H ARG A 72 0.249 -4.890 17.195 1.00 0.00 H new ATOM 0 HA ARG A 72 2.003 -4.429 15.022 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.193 -6.807 15.760 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.596 -6.922 14.716 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.023 -6.016 16.622 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.608 -6.059 17.655 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.380 -8.563 17.117 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.909 -8.468 16.266 1.00 0.00 H new ATOM 0 HE ARG A 72 3.494 -7.203 18.718 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.096 -9.377 18.786 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.297 -10.636 19.734 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.129 -9.181 19.459 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.071 -10.526 20.112 1.00 0.00 H new ATOM 1150 N LEU A 73 -1.044 -5.100 13.977 1.00 0.00 N ATOM 1151 CA LEU A 73 -1.908 -4.950 12.769 1.00 0.00 C ATOM 1152 C LEU A 73 -1.864 -3.504 12.267 1.00 0.00 C ATOM 1153 O LEU A 73 -1.665 -3.249 11.097 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.317 -5.304 13.243 1.00 0.00 C ATOM 1155 CG LEU A 73 -3.331 -6.731 13.795 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -4.769 -7.129 14.131 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.768 -7.691 12.746 1.00 0.00 C ATOM 0 H LEU A 73 -1.502 -5.513 14.790 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.581 -5.586 11.946 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.639 -4.603 14.013 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.022 -5.216 12.416 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.718 -6.780 14.695 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.783 -8.145 14.525 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.171 -6.445 14.879 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.380 -7.081 13.230 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.778 -8.707 13.140 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.380 -7.645 11.845 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.744 -7.406 12.504 1.00 0.00 H new ATOM 1169 N GLU A 74 -2.055 -2.559 13.145 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.030 -1.129 12.722 1.00 0.00 C ATOM 1171 C GLU A 74 -0.721 -0.801 11.996 1.00 0.00 C ATOM 1172 O GLU A 74 -0.716 -0.120 10.990 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.131 -0.328 14.021 1.00 0.00 C ATOM 1174 CG GLU A 74 -3.424 -0.693 14.752 1.00 0.00 C ATOM 1175 CD GLU A 74 -3.684 0.326 15.863 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -2.753 1.024 16.230 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -4.809 0.390 16.330 1.00 0.00 O ATOM 0 H GLU A 74 -2.228 -2.714 14.138 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.840 -0.897 12.030 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.271 -0.538 14.657 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.114 0.740 13.803 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.259 -0.706 14.052 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.346 -1.695 15.173 1.00 0.00 H new ATOM 1184 N GLU A 75 0.392 -1.264 12.502 1.00 0.00 N ATOM 1185 CA GLU A 75 1.697 -0.961 11.843 1.00 0.00 C ATOM 1186 C GLU A 75 1.749 -1.558 10.433 1.00 0.00 C ATOM 1187 O GLU A 75 1.984 -0.863 9.465 1.00 0.00 O ATOM 1188 CB GLU A 75 2.747 -1.616 12.739 1.00 0.00 C ATOM 1189 CG GLU A 75 4.146 -1.215 12.266 1.00 0.00 C ATOM 1190 CD GLU A 75 5.196 -1.939 13.111 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.806 -2.679 13.999 1.00 0.00 O ATOM 1192 OE2 GLU A 75 6.372 -1.741 12.856 1.00 0.00 O ATOM 0 H GLU A 75 0.454 -1.838 13.343 1.00 0.00 H new ATOM 0 HA GLU A 75 1.858 0.111 11.730 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.600 -1.308 13.774 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.639 -2.700 12.710 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.272 -1.469 11.213 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.275 -0.136 12.352 1.00 0.00 H new ATOM 1199 N ILE A 76 1.534 -2.839 10.309 1.00 0.00 N ATOM 1200 CA ILE A 76 1.575 -3.469 8.957 1.00 0.00 C ATOM 1201 C ILE A 76 0.484 -2.869 8.068 1.00 0.00 C ATOM 1202 O ILE A 76 0.680 -2.643 6.890 1.00 0.00 O ATOM 1203 CB ILE A 76 1.316 -4.955 9.205 1.00 0.00 C ATOM 1204 CG1 ILE A 76 2.387 -5.510 10.146 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.366 -5.710 7.874 1.00 0.00 C ATOM 1206 CD1 ILE A 76 2.045 -6.955 10.512 1.00 0.00 C ATOM 0 H ILE A 76 1.333 -3.475 11.081 1.00 0.00 H new ATOM 0 HA ILE A 76 2.525 -3.304 8.448 1.00 0.00 H new ATOM 0 HB ILE A 76 0.333 -5.082 9.659 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.365 -5.467 9.667 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.446 -4.900 11.047 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.181 -6.770 8.050 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.603 -5.315 7.203 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.349 -5.583 7.420 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.808 -7.351 11.182 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.075 -6.985 11.008 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.008 -7.561 9.607 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.661 -2.600 8.631 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.765 -2.006 7.827 1.00 0.00 C ATOM 1220 C ALA A 77 -1.320 -0.660 7.250 1.00 0.00 C ATOM 1221 O ALA A 77 -1.726 -0.266 6.175 1.00 0.00 O ATOM 1222 CB ALA A 77 -2.917 -1.813 8.814 1.00 0.00 C ATOM 0 H ALA A 77 -0.880 -2.766 9.613 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.055 -2.637 6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.771 -1.378 8.296 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.201 -2.778 9.235 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.601 -1.146 9.616 1.00 0.00 H new ATOM 1228 N GLU A 78 -0.485 0.048 7.962 1.00 0.00 N ATOM 1229 CA GLU A 78 -0.011 1.370 7.463 1.00 0.00 C ATOM 1230 C GLU A 78 0.762 1.204 6.151 1.00 0.00 C ATOM 1231 O GLU A 78 0.673 2.030 5.264 1.00 0.00 O ATOM 1232 CB GLU A 78 0.909 1.900 8.563 1.00 0.00 C ATOM 1233 CG GLU A 78 1.335 3.331 8.226 1.00 0.00 C ATOM 1234 CD GLU A 78 2.334 3.826 9.273 1.00 0.00 C ATOM 1235 OE1 GLU A 78 2.650 3.062 10.169 1.00 0.00 O ATOM 1236 OE2 GLU A 78 2.763 4.962 9.162 1.00 0.00 O ATOM 0 H GLU A 78 -0.111 -0.233 8.868 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.837 2.050 7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.394 1.879 9.524 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.787 1.261 8.657 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.786 3.364 7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.463 3.985 8.202 1.00 0.00 H new ATOM 1243 N ASP A 79 1.523 0.152 6.018 1.00 0.00 N ATOM 1244 CA ASP A 79 2.296 -0.044 4.757 1.00 0.00 C ATOM 1245 C ASP A 79 2.816 -1.483 4.658 1.00 0.00 C ATOM 1246 O ASP A 79 3.057 -2.128 5.660 1.00 0.00 O ATOM 1247 CB ASP A 79 3.464 0.938 4.854 1.00 0.00 C ATOM 1248 CG ASP A 79 3.039 2.294 4.287 1.00 0.00 C ATOM 1249 OD1 ASP A 79 2.898 2.391 3.079 1.00 0.00 O ATOM 1250 OD2 ASP A 79 2.863 3.213 5.069 1.00 0.00 O ATOM 0 H ASP A 79 1.643 -0.576 6.722 1.00 0.00 H new ATOM 0 HA ASP A 79 1.683 0.129 3.872 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.775 1.048 5.893 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.322 0.554 4.303 1.00 0.00 H new ATOM 1255 N PRO A 80 2.973 -1.937 3.441 1.00 0.00 N ATOM 1256 CA PRO A 80 3.470 -3.309 3.186 1.00 0.00 C ATOM 1257 C PRO A 80 4.885 -3.483 3.738 1.00 0.00 C ATOM 1258 O PRO A 80 5.852 -3.523 3.003 1.00 0.00 O ATOM 1259 CB PRO A 80 3.461 -3.389 1.656 1.00 0.00 C ATOM 1260 CG PRO A 80 2.958 -2.046 1.092 1.00 0.00 C ATOM 1261 CD PRO A 80 2.658 -1.100 2.261 1.00 0.00 C ATOM 0 HA PRO A 80 2.872 -4.086 3.662 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.463 -3.604 1.283 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.816 -4.203 1.324 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.709 -1.608 0.435 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.061 -2.201 0.492 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.275 -0.202 2.225 1.00 0.00 H new ATOM 0 HD3 PRO A 80 1.618 -0.773 2.262 1.00 0.00 H new ATOM 1269 N GLY A 81 5.006 -3.601 5.029 1.00 0.00 N ATOM 1270 CA GLY A 81 6.354 -3.790 5.635 1.00 0.00 C ATOM 1271 C GLY A 81 6.951 -5.091 5.095 1.00 0.00 C ATOM 1272 O GLY A 81 6.883 -5.371 3.915 1.00 0.00 O ATOM 0 H GLY A 81 4.231 -3.575 5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.000 -2.947 5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.279 -3.830 6.722 1.00 0.00 H new ATOM 1276 N THR A 82 7.523 -5.897 5.944 1.00 0.00 N ATOM 1277 CA THR A 82 8.103 -7.183 5.466 1.00 0.00 C ATOM 1278 C THR A 82 6.971 -8.175 5.186 1.00 0.00 C ATOM 1279 O THR A 82 7.126 -9.129 4.450 1.00 0.00 O ATOM 1280 CB THR A 82 8.983 -7.677 6.615 1.00 0.00 C ATOM 1281 OG1 THR A 82 8.175 -7.920 7.757 1.00 0.00 O ATOM 1282 CG2 THR A 82 10.034 -6.616 6.946 1.00 0.00 C ATOM 0 H THR A 82 7.614 -5.722 6.945 1.00 0.00 H new ATOM 0 HA THR A 82 8.676 -7.072 4.545 1.00 0.00 H new ATOM 0 HB THR A 82 9.482 -8.600 6.321 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.734 -7.909 8.562 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.661 -6.968 7.765 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.653 -6.431 6.068 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.537 -5.692 7.241 1.00 0.00 H new ATOM 1290 N CYS A 83 5.829 -7.943 5.770 1.00 0.00 N ATOM 1291 CA CYS A 83 4.679 -8.862 5.544 1.00 0.00 C ATOM 1292 C CYS A 83 4.331 -8.884 4.054 1.00 0.00 C ATOM 1293 O CYS A 83 4.136 -9.927 3.465 1.00 0.00 O ATOM 1294 CB CYS A 83 3.526 -8.277 6.362 1.00 0.00 C ATOM 1295 SG CYS A 83 2.230 -9.521 6.561 1.00 0.00 S ATOM 0 H CYS A 83 5.642 -7.158 6.393 1.00 0.00 H new ATOM 0 HA CYS A 83 4.896 -9.887 5.843 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.887 -7.954 7.339 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.124 -7.395 5.863 1.00 0.00 H new ATOM 1300 N GLU A 84 4.256 -7.737 3.441 1.00 0.00 N ATOM 1301 CA GLU A 84 3.921 -7.687 1.991 1.00 0.00 C ATOM 1302 C GLU A 84 4.939 -8.484 1.169 1.00 0.00 C ATOM 1303 O GLU A 84 4.616 -9.022 0.128 1.00 0.00 O ATOM 1304 CB GLU A 84 3.984 -6.208 1.622 1.00 0.00 C ATOM 1305 CG GLU A 84 3.528 -6.028 0.172 1.00 0.00 C ATOM 1306 CD GLU A 84 2.038 -6.358 0.065 1.00 0.00 C ATOM 1307 OE1 GLU A 84 1.355 -6.251 1.071 1.00 0.00 O ATOM 1308 OE2 GLU A 84 1.607 -6.712 -1.018 1.00 0.00 O ATOM 0 H GLU A 84 4.412 -6.831 3.882 1.00 0.00 H new ATOM 0 HA GLU A 84 2.944 -8.124 1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.348 -5.627 2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.000 -5.834 1.745 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.710 -5.004 -0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.104 -6.679 -0.486 1.00 0.00 H new ATOM 1315 N ILE A 85 6.165 -8.561 1.613 1.00 0.00 N ATOM 1316 CA ILE A 85 7.185 -9.320 0.831 1.00 0.00 C ATOM 1317 C ILE A 85 7.449 -10.682 1.479 1.00 0.00 C ATOM 1318 O ILE A 85 8.397 -11.365 1.146 1.00 0.00 O ATOM 1319 CB ILE A 85 8.443 -8.449 0.871 1.00 0.00 C ATOM 1320 CG1 ILE A 85 8.998 -8.412 2.296 1.00 0.00 C ATOM 1321 CG2 ILE A 85 8.094 -7.029 0.424 1.00 0.00 C ATOM 1322 CD1 ILE A 85 10.078 -7.335 2.396 1.00 0.00 C ATOM 0 H ILE A 85 6.503 -8.135 2.476 1.00 0.00 H new ATOM 0 HA ILE A 85 6.859 -9.517 -0.190 1.00 0.00 H new ATOM 0 HB ILE A 85 9.194 -8.868 0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.196 -8.204 3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.414 -9.384 2.561 1.00 0.00 H new ATOM 0 HG21 ILE A 85 8.990 -6.408 0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 85 7.702 -7.054 -0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.342 -6.611 1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.473 -7.309 3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.884 -7.562 1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 85 9.648 -6.364 2.149 1.00 0.00 H new ATOM 1334 N CYS A 86 6.616 -11.083 2.399 1.00 0.00 N ATOM 1335 CA CYS A 86 6.820 -12.402 3.065 1.00 0.00 C ATOM 1336 C CYS A 86 8.171 -12.430 3.784 1.00 0.00 C ATOM 1337 O CYS A 86 8.656 -13.475 4.172 1.00 0.00 O ATOM 1338 CB CYS A 86 6.795 -13.426 1.930 1.00 0.00 C ATOM 1339 SG CYS A 86 6.337 -15.048 2.588 1.00 0.00 S ATOM 0 H CYS A 86 5.803 -10.556 2.719 1.00 0.00 H new ATOM 0 HA CYS A 86 6.058 -12.607 3.817 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.083 -13.118 1.164 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.773 -13.479 1.452 1.00 0.00 H new ATOM 1344 N ALA A 87 8.783 -11.293 3.965 1.00 0.00 N ATOM 1345 CA ALA A 87 10.101 -11.259 4.661 1.00 0.00 C ATOM 1346 C ALA A 87 9.941 -11.718 6.112 1.00 0.00 C ATOM 1347 O ALA A 87 10.886 -12.139 6.750 1.00 0.00 O ATOM 1348 CB ALA A 87 10.541 -9.797 4.607 1.00 0.00 C ATOM 0 H ALA A 87 8.428 -10.386 3.662 1.00 0.00 H new ATOM 0 HA ALA A 87 10.832 -11.921 4.196 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.507 -9.689 5.101 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.628 -9.481 3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.803 -9.176 5.114 1.00 0.00 H new ATOM 1354 N TYR A 88 8.751 -11.639 6.639 1.00 0.00 N ATOM 1355 CA TYR A 88 8.528 -12.068 8.048 1.00 0.00 C ATOM 1356 C TYR A 88 7.310 -12.992 8.138 1.00 0.00 C ATOM 1357 O TYR A 88 6.528 -13.097 7.214 1.00 0.00 O ATOM 1358 CB TYR A 88 8.273 -10.772 8.819 1.00 0.00 C ATOM 1359 CG TYR A 88 9.513 -10.392 9.592 1.00 0.00 C ATOM 1360 CD1 TYR A 88 10.597 -9.803 8.930 1.00 0.00 C ATOM 1361 CD2 TYR A 88 9.579 -10.627 10.971 1.00 0.00 C ATOM 1362 CE1 TYR A 88 11.746 -9.448 9.646 1.00 0.00 C ATOM 1363 CE2 TYR A 88 10.727 -10.272 11.687 1.00 0.00 C ATOM 1364 CZ TYR A 88 11.811 -9.683 11.025 1.00 0.00 C ATOM 1365 OH TYR A 88 12.944 -9.333 11.731 1.00 0.00 O ATOM 0 H TYR A 88 7.922 -11.295 6.154 1.00 0.00 H new ATOM 0 HA TYR A 88 9.376 -12.624 8.448 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.003 -9.973 8.128 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.432 -10.902 9.501 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.547 -9.623 7.866 1.00 0.00 H new ATOM 0 HD2 TYR A 88 8.743 -11.082 11.482 1.00 0.00 H new ATOM 0 HE1 TYR A 88 12.582 -8.993 9.135 1.00 0.00 H new ATOM 0 HE2 TYR A 88 10.777 -10.452 12.751 1.00 0.00 H new ATOM 0 HH TYR A 88 12.825 -9.563 12.676 1.00 0.00 H new ATOM 1375 N ALA A 89 7.145 -13.662 9.245 1.00 0.00 N ATOM 1376 CA ALA A 89 5.979 -14.580 9.397 1.00 0.00 C ATOM 1377 C ALA A 89 4.679 -13.776 9.518 1.00 0.00 C ATOM 1378 O ALA A 89 3.613 -14.328 9.703 1.00 0.00 O ATOM 1379 CB ALA A 89 6.253 -15.354 10.686 1.00 0.00 C ATOM 0 H ALA A 89 7.767 -13.614 10.052 1.00 0.00 H new ATOM 0 HA ALA A 89 5.861 -15.242 8.539 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.438 -16.054 10.870 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.189 -15.904 10.588 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.328 -14.657 11.520 1.00 0.00 H new ATOM 1385 N ALA A 90 4.759 -12.477 9.414 1.00 0.00 N ATOM 1386 CA ALA A 90 3.528 -11.641 9.523 1.00 0.00 C ATOM 1387 C ALA A 90 2.589 -11.918 8.347 1.00 0.00 C ATOM 1388 O ALA A 90 1.384 -11.954 8.498 1.00 0.00 O ATOM 1389 CB ALA A 90 4.027 -10.197 9.478 1.00 0.00 C ATOM 0 H ALA A 90 5.623 -11.958 9.258 1.00 0.00 H new ATOM 0 HA ALA A 90 2.966 -11.853 10.433 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.179 -9.516 9.553 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.708 -10.021 10.311 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.550 -10.022 8.538 1.00 0.00 H new ATOM 1395 N CYS A 91 3.129 -12.107 7.173 1.00 0.00 N ATOM 1396 CA CYS A 91 2.261 -12.371 5.991 1.00 0.00 C ATOM 1397 C CYS A 91 2.385 -13.830 5.543 1.00 0.00 C ATOM 1398 O CYS A 91 3.433 -14.267 5.111 1.00 0.00 O ATOM 1399 CB CYS A 91 2.782 -11.438 4.903 1.00 0.00 C ATOM 1400 SG CYS A 91 1.672 -10.018 4.744 1.00 0.00 S ATOM 0 H CYS A 91 4.131 -12.090 6.982 1.00 0.00 H new ATOM 0 HA CYS A 91 1.208 -12.199 6.214 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.789 -11.100 5.150 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.848 -11.970 3.954 1.00 0.00 H new ATOM 1405 N THR A 92 1.326 -14.583 5.641 1.00 0.00 N ATOM 1406 CA THR A 92 1.387 -16.011 5.219 1.00 0.00 C ATOM 1407 C THR A 92 0.778 -16.178 3.824 1.00 0.00 C ATOM 1408 O THR A 92 0.279 -15.238 3.237 1.00 0.00 O ATOM 1409 CB THR A 92 0.561 -16.765 6.261 1.00 0.00 C ATOM 1410 OG1 THR A 92 -0.806 -16.399 6.133 1.00 0.00 O ATOM 1411 CG2 THR A 92 1.060 -16.406 7.661 1.00 0.00 C ATOM 0 H THR A 92 0.421 -14.273 5.995 1.00 0.00 H new ATOM 0 HA THR A 92 2.410 -16.383 5.163 1.00 0.00 H new ATOM 0 HB THR A 92 0.665 -17.839 6.104 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.369 -17.192 6.249 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.472 -16.943 8.406 1.00 0.00 H new ATOM 0 HG22 THR A 92 2.109 -16.686 7.756 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.955 -15.333 7.821 1.00 0.00 H new ATOM 1419 N GLY A 93 0.815 -17.369 3.289 1.00 0.00 N ATOM 1420 CA GLY A 93 0.239 -17.596 1.933 1.00 0.00 C ATOM 1421 C GLY A 93 1.272 -17.216 0.869 1.00 0.00 C ATOM 1422 O GLY A 93 0.962 -17.110 -0.301 1.00 0.00 O ATOM 0 H GLY A 93 1.219 -18.194 3.733 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.049 -18.641 1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.665 -17.001 1.806 1.00 0.00 H new ATOM 1426 N CYS A 94 2.498 -17.010 1.267 1.00 0.00 N ATOM 1427 CA CYS A 94 3.550 -16.636 0.278 1.00 0.00 C ATOM 1428 C CYS A 94 3.444 -17.519 -0.968 1.00 0.00 C ATOM 1429 O CYS A 94 3.088 -18.677 -0.822 1.00 0.00 O ATOM 1430 CB CYS A 94 4.876 -16.883 1.000 1.00 0.00 C ATOM 1431 SG CYS A 94 6.043 -15.564 0.588 1.00 0.00 S ATOM 1432 OXT CYS A 94 3.720 -17.021 -2.048 1.00 0.00 O ATOM 0 H CYS A 94 2.817 -17.084 2.233 1.00 0.00 H new ATOM 0 HA CYS A 94 3.454 -15.603 -0.057 1.00 0.00 H new ATOM 0 HB2 CYS A 94 4.715 -16.917 2.077 1.00 0.00 H new ATOM 0 HB3 CYS A 94 5.286 -17.850 0.709 1.00 0.00 H new TER 1437 CYS A 94