USER MOD reduce.3.24.130724 H: found=0, std=0, add=1130, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1126 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 73 CYS SG : rot 69:sc= 0.127 USER MOD Set 1.2: A 93 MET CE :methyl 152:sc= -0.372 (180deg=-1.15) USER MOD Set 2.1: A 9 CYS SG : rot 170:sc= -0.234 USER MOD Set 2.2: A 12 ASN : amide:sc= -1.5 K(o=-1.2,f=-4.1!) USER MOD Set 2.3: A 16 SER OG : rot -40:sc= 1.4 USER MOD Set 2.4: A 34 SER OG : rot -107:sc= 1.18 USER MOD Set 2.5: A 63 HIS : no HE2:sc= -1.89 K(o=-1.2,f=-4.4!) USER MOD Set 2.6: A 82 MET CE :methyl -174:sc= -0.19 (180deg=-0.285) USER MOD Single : A 3 ASN : amide:sc= 0.683 K(o=0.68,f=-0.0047) USER MOD Single : A 4 ASN : amide:sc= 0.588 K(o=0.59,f=-0.2) USER MOD Single : A 14 CYS SG : rot -5:sc= 0.0826 USER MOD Single : A 18 THR OG1 : rot 108:sc= 1.28 USER MOD Single : A 24 GLN : amide:sc= 0.74 K(o=0.74,f=-3.8!) USER MOD Single : A 26 TYR OH : rot 30:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= 0.612 K(o=0.61,f=-2.3!) USER MOD Single : A 31 LYS NZ :NH3+ 145:sc= 1.35 (180deg=0.747) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 97:sc= 1.23 USER MOD Single : A 51 SER OG : rot -76:sc= 0.534 USER MOD Single : A 56 HIS : no HD1:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 57 GLN : amide:sc= 0.15 K(o=0.15,f=-0.42) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 5:sc=0.000294 USER MOD Single : A 67 GLN : amide:sc= 0.868 K(o=0.87,f=-0.32) USER MOD Single : A 69 SER OG : rot 180:sc= 0.314 USER MOD Single : A 75 ASN : amide:sc= 0.942 K(o=0.94,f=-0.11) USER MOD Single : A 76 TYR OH : rot 30:sc= 0 USER MOD Single : A 81 THR OG1 : rot 121:sc= 0.178 USER MOD Single : A 84 LYS NZ :NH3+ -173:sc= 2.19 (180deg=2.05) USER MOD Single : A 86 HIS : no HE2:sc= 0.852 K(o=0.85,f=-6.5!) USER MOD Single : A 91 CYS SG : rot 75:sc= 0.453 USER MOD Single : A 97 MET CE :methyl 167:sc= 0 (180deg=-0.0525) USER MOD Single : A 100 LYS NZ :NH3+ -170:sc= 1.27 (180deg=1.15) USER MOD Single : A 102 MET CE :methyl 166:sc= -0.469 (180deg=-0.486) USER MOD Single : A 106 HIS : no HE2:sc= 1.02 K(o=1,f=-3.1!) USER MOD Single : A 109 ASN : amide:sc= -0.28 X(o=-0.28,f=-0.49) USER MOD Single : A 111 CYS SG : rot 88:sc= 0.277 USER MOD Single : A 117 TYR OH : rot 180:sc= 0.205 USER MOD Single : A 119 LYS NZ :NH3+ -169:sc= 1.88 (180deg=1.76) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 82:sc= 0.907 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 76:sc= 1.1 USER MOD Single : A 134 SER OG : rot 81:sc= 1.18 USER MOD Single : A 137 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 140 GLN : amide:sc= 0.0968 X(o=0.097,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 18 N PHE A 2 -4.606 7.986 -12.925 1.00 0.00 N ATOM 19 CA PHE A 2 -4.759 6.616 -12.432 1.00 0.00 C ATOM 20 C PHE A 2 -5.530 6.588 -11.099 1.00 0.00 C ATOM 21 O PHE A 2 -4.989 6.232 -10.055 1.00 0.00 O ATOM 22 CB PHE A 2 -3.380 5.923 -12.373 1.00 0.00 C ATOM 23 CG PHE A 2 -2.226 6.756 -11.826 1.00 0.00 C ATOM 24 CD1 PHE A 2 -1.951 6.801 -10.446 1.00 0.00 C ATOM 25 CD2 PHE A 2 -1.415 7.494 -12.713 1.00 0.00 C ATOM 26 CE1 PHE A 2 -0.894 7.584 -9.955 1.00 0.00 C ATOM 27 CE2 PHE A 2 -0.360 8.282 -12.223 1.00 0.00 C ATOM 28 CZ PHE A 2 -0.101 8.332 -10.842 1.00 0.00 C ATOM 0 HA PHE A 2 -5.369 6.040 -13.128 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -3.474 5.026 -11.761 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -3.118 5.596 -13.379 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -2.558 6.229 -9.760 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -1.606 7.453 -13.775 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -0.690 7.611 -8.895 1.00 0.00 H new ATOM 0 HE2 PHE A 2 0.253 8.850 -12.908 1.00 0.00 H new ATOM 0 HZ PHE A 2 0.705 8.943 -10.464 1.00 0.00 H new ATOM 38 N ASN A 3 -6.803 6.994 -11.118 1.00 0.00 N ATOM 39 CA ASN A 3 -7.628 7.134 -9.915 1.00 0.00 C ATOM 40 C ASN A 3 -7.789 5.813 -9.151 1.00 0.00 C ATOM 41 O ASN A 3 -7.939 5.849 -7.930 1.00 0.00 O ATOM 42 CB ASN A 3 -9.005 7.709 -10.288 1.00 0.00 C ATOM 43 CG ASN A 3 -9.910 7.891 -9.068 1.00 0.00 C ATOM 44 OD1 ASN A 3 -10.746 7.046 -8.769 1.00 0.00 O ATOM 45 ND2 ASN A 3 -9.787 8.999 -8.350 1.00 0.00 N ATOM 0 H ASN A 3 -7.295 7.237 -11.978 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.111 7.823 -9.247 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.872 8.670 -10.785 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.492 7.045 -11.002 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -10.391 9.153 -7.542 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.089 9.697 -8.605 1.00 0.00 H new ATOM 52 N ASN A 4 -7.729 4.668 -9.849 1.00 0.00 N ATOM 53 CA ASN A 4 -7.839 3.357 -9.212 1.00 0.00 C ATOM 54 C ASN A 4 -6.417 2.876 -8.937 1.00 0.00 C ATOM 55 O ASN A 4 -5.636 2.735 -9.884 1.00 0.00 O ATOM 56 CB ASN A 4 -8.524 2.337 -10.145 1.00 0.00 C ATOM 57 CG ASN A 4 -10.048 2.379 -10.173 1.00 0.00 C ATOM 58 OD1 ASN A 4 -10.675 3.383 -9.852 1.00 0.00 O ATOM 59 ND2 ASN A 4 -10.680 1.280 -10.560 1.00 0.00 N ATOM 0 H ASN A 4 -7.604 4.630 -10.861 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.434 3.441 -8.303 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.157 2.497 -11.159 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.213 1.336 -9.848 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -11.699 1.263 -10.593 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.147 0.452 -10.824 1.00 0.00 H new ATOM 66 N ILE A 5 -6.097 2.559 -7.681 1.00 0.00 N ATOM 67 CA ILE A 5 -4.748 2.179 -7.260 1.00 0.00 C ATOM 68 C ILE A 5 -4.882 0.943 -6.366 1.00 0.00 C ATOM 69 O ILE A 5 -5.851 0.834 -5.613 1.00 0.00 O ATOM 70 CB ILE A 5 -4.089 3.370 -6.514 1.00 0.00 C ATOM 71 CG1 ILE A 5 -4.042 4.610 -7.437 1.00 0.00 C ATOM 72 CG2 ILE A 5 -2.700 3.041 -5.921 1.00 0.00 C ATOM 73 CD1 ILE A 5 -3.331 5.828 -6.854 1.00 0.00 C ATOM 0 H ILE A 5 -6.775 2.559 -6.919 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.109 1.939 -8.109 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.717 3.592 -5.651 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.547 4.332 -8.368 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.064 4.893 -7.691 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.303 3.921 -5.415 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.794 2.223 -5.206 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.023 2.746 -6.723 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.352 6.643 -7.578 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.836 6.141 -5.940 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.296 5.571 -6.627 1.00 0.00 H new ATOM 85 N LEU A 6 -3.906 0.035 -6.415 1.00 0.00 N ATOM 86 CA LEU A 6 -3.912 -1.181 -5.604 1.00 0.00 C ATOM 87 C LEU A 6 -2.597 -1.250 -4.833 1.00 0.00 C ATOM 88 O LEU A 6 -1.536 -1.125 -5.443 1.00 0.00 O ATOM 89 CB LEU A 6 -4.064 -2.412 -6.517 1.00 0.00 C ATOM 90 CG LEU A 6 -4.919 -3.556 -5.946 1.00 0.00 C ATOM 91 CD1 LEU A 6 -4.758 -4.782 -6.850 1.00 0.00 C ATOM 92 CD2 LEU A 6 -4.572 -3.969 -4.517 1.00 0.00 C ATOM 0 H LEU A 6 -3.089 0.123 -7.019 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.748 -1.167 -4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.502 -2.090 -7.462 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.071 -2.801 -6.742 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.941 -3.180 -5.916 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.358 -5.604 -6.459 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.091 -4.537 -7.858 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.710 -5.079 -6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.228 -4.781 -4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.535 -4.304 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.704 -3.117 -3.850 1.00 0.00 H new ATOM 104 N VAL A 7 -2.641 -1.475 -3.523 1.00 0.00 N ATOM 105 CA VAL A 7 -1.441 -1.719 -2.728 1.00 0.00 C ATOM 106 C VAL A 7 -1.360 -3.226 -2.482 1.00 0.00 C ATOM 107 O VAL A 7 -2.342 -3.824 -2.039 1.00 0.00 O ATOM 108 CB VAL A 7 -1.480 -0.916 -1.411 1.00 0.00 C ATOM 109 CG1 VAL A 7 -0.094 -0.967 -0.759 1.00 0.00 C ATOM 110 CG2 VAL A 7 -1.870 0.558 -1.612 1.00 0.00 C ATOM 0 H VAL A 7 -3.507 -1.493 -2.984 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.548 -1.384 -3.256 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.243 -1.373 -0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.109 -0.402 0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.172 -2.003 -0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.642 -0.532 -1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.879 1.067 -0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.146 1.039 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.862 0.614 -2.061 1.00 0.00 H new ATOM 120 N VAL A 8 -0.208 -3.840 -2.758 1.00 0.00 N ATOM 121 CA VAL A 8 -0.041 -5.287 -2.700 1.00 0.00 C ATOM 122 C VAL A 8 1.196 -5.571 -1.848 1.00 0.00 C ATOM 123 O VAL A 8 2.298 -5.138 -2.199 1.00 0.00 O ATOM 124 CB VAL A 8 0.080 -5.869 -4.129 1.00 0.00 C ATOM 125 CG1 VAL A 8 0.167 -7.402 -4.087 1.00 0.00 C ATOM 126 CG2 VAL A 8 -1.122 -5.497 -5.011 1.00 0.00 C ATOM 0 H VAL A 8 0.639 -3.341 -3.030 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.906 -5.769 -2.246 1.00 0.00 H new ATOM 0 HB VAL A 8 0.987 -5.440 -4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.251 -7.790 -5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.042 -7.701 -3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.731 -7.805 -3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.992 -5.928 -6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.036 -5.887 -4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.192 -4.412 -5.092 1.00 0.00 H new ATOM 136 N CYS A 9 1.028 -6.302 -0.737 1.00 0.00 N ATOM 137 CA CYS A 9 2.124 -6.572 0.190 1.00 0.00 C ATOM 138 C CYS A 9 2.078 -8.000 0.721 1.00 0.00 C ATOM 139 O CYS A 9 0.996 -8.550 0.926 1.00 0.00 O ATOM 140 CB CYS A 9 2.036 -5.642 1.416 1.00 0.00 C ATOM 141 SG CYS A 9 1.572 -3.936 1.013 1.00 0.00 S ATOM 0 H CYS A 9 0.137 -6.716 -0.462 1.00 0.00 H new ATOM 0 HA CYS A 9 3.045 -6.409 -0.370 1.00 0.00 H new ATOM 0 HB2 CYS A 9 1.308 -6.050 2.118 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.000 -5.635 1.925 1.00 0.00 H new ATOM 0 HG CYS A 9 1.315 -3.286 2.109 1.00 0.00 H new ATOM 147 N VAL A 10 3.248 -8.596 0.967 1.00 0.00 N ATOM 148 CA VAL A 10 3.287 -9.845 1.728 1.00 0.00 C ATOM 149 C VAL A 10 2.942 -9.405 3.163 1.00 0.00 C ATOM 150 O VAL A 10 3.389 -8.334 3.593 1.00 0.00 O ATOM 151 CB VAL A 10 4.622 -10.607 1.544 1.00 0.00 C ATOM 152 CG1 VAL A 10 5.778 -10.142 2.440 1.00 0.00 C ATOM 153 CG2 VAL A 10 4.407 -12.110 1.764 1.00 0.00 C ATOM 0 H VAL A 10 4.156 -8.246 0.660 1.00 0.00 H new ATOM 0 HA VAL A 10 2.576 -10.598 1.388 1.00 0.00 H new ATOM 0 HB VAL A 10 4.923 -10.384 0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.664 -10.741 2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.994 -9.092 2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.498 -10.262 3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.353 -12.636 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.035 -12.280 2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.680 -12.483 1.042 1.00 0.00 H new ATOM 163 N GLY A 11 2.105 -10.152 3.886 1.00 0.00 N ATOM 164 CA GLY A 11 1.565 -9.675 5.159 1.00 0.00 C ATOM 165 C GLY A 11 0.611 -8.494 4.944 1.00 0.00 C ATOM 166 O GLY A 11 0.629 -7.515 5.693 1.00 0.00 O ATOM 0 H GLY A 11 1.789 -11.083 3.614 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.038 -10.486 5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.382 -9.372 5.814 1.00 0.00 H new ATOM 170 N ASN A 12 -0.216 -8.595 3.892 1.00 0.00 N ATOM 171 CA ASN A 12 -1.283 -7.636 3.577 1.00 0.00 C ATOM 172 C ASN A 12 -2.032 -7.122 4.805 1.00 0.00 C ATOM 173 O ASN A 12 -2.311 -5.929 4.839 1.00 0.00 O ATOM 174 CB ASN A 12 -2.231 -8.272 2.534 1.00 0.00 C ATOM 175 CG ASN A 12 -3.681 -7.770 2.414 1.00 0.00 C ATOM 176 OD1 ASN A 12 -4.546 -8.513 1.962 1.00 0.00 O ATOM 177 ND2 ASN A 12 -4.015 -6.551 2.790 1.00 0.00 N ATOM 0 H ASN A 12 -0.159 -9.363 3.223 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.821 -6.744 3.155 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.764 -8.155 1.556 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.273 -9.341 2.742 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.982 -6.237 2.703 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.307 -5.922 3.168 1.00 0.00 H new ATOM 184 N ILE A 13 -2.327 -7.977 5.789 1.00 0.00 N ATOM 185 CA ILE A 13 -3.185 -7.706 6.952 1.00 0.00 C ATOM 186 C ILE A 13 -2.847 -6.432 7.756 1.00 0.00 C ATOM 187 O ILE A 13 -3.640 -6.034 8.609 1.00 0.00 O ATOM 188 CB ILE A 13 -3.221 -8.952 7.871 1.00 0.00 C ATOM 189 CG1 ILE A 13 -1.847 -9.223 8.532 1.00 0.00 C ATOM 190 CG2 ILE A 13 -3.728 -10.183 7.089 1.00 0.00 C ATOM 191 CD1 ILE A 13 -1.875 -10.353 9.567 1.00 0.00 C ATOM 0 H ILE A 13 -1.956 -8.927 5.798 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.173 -7.498 6.542 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.922 -8.750 8.681 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.123 -9.471 7.756 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.499 -8.309 9.014 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.747 -11.050 7.749 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.733 -9.988 6.716 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.061 -10.381 6.249 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.878 -10.486 9.988 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.574 -10.099 10.364 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.192 -11.279 9.087 1.00 0.00 H new ATOM 203 N CYS A 14 -1.705 -5.786 7.513 1.00 0.00 N ATOM 204 CA CYS A 14 -1.330 -4.535 8.159 1.00 0.00 C ATOM 205 C CYS A 14 -0.750 -3.520 7.175 1.00 0.00 C ATOM 206 O CYS A 14 -1.097 -2.342 7.251 1.00 0.00 O ATOM 207 CB CYS A 14 -0.354 -4.829 9.307 1.00 0.00 C ATOM 208 SG CYS A 14 0.991 -5.954 8.823 1.00 0.00 S ATOM 0 H CYS A 14 -1.007 -6.126 6.851 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.232 -4.076 8.563 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.074 -3.892 9.662 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.903 -5.265 10.141 1.00 0.00 H new ATOM 0 HG CYS A 14 0.786 -6.380 7.612 1.00 0.00 H new ATOM 214 N ARG A 15 0.110 -3.939 6.238 1.00 0.00 N ATOM 215 CA ARG A 15 0.849 -3.000 5.387 1.00 0.00 C ATOM 216 C ARG A 15 -0.099 -2.333 4.390 1.00 0.00 C ATOM 217 O ARG A 15 -0.207 -1.104 4.369 1.00 0.00 O ATOM 218 CB ARG A 15 1.996 -3.742 4.671 1.00 0.00 C ATOM 219 CG ARG A 15 3.025 -4.355 5.643 1.00 0.00 C ATOM 220 CD ARG A 15 3.893 -5.422 4.964 1.00 0.00 C ATOM 221 NE ARG A 15 5.165 -4.906 4.429 1.00 0.00 N ATOM 222 CZ ARG A 15 5.919 -5.533 3.516 1.00 0.00 C ATOM 223 NH1 ARG A 15 5.472 -6.600 2.868 1.00 0.00 N ATOM 224 NH2 ARG A 15 7.143 -5.113 3.247 1.00 0.00 N ATOM 0 H ARG A 15 0.311 -4.921 6.051 1.00 0.00 H new ATOM 0 HA ARG A 15 1.285 -2.214 6.003 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.576 -4.534 4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.506 -3.049 4.002 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.664 -3.566 6.039 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.503 -4.798 6.491 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.107 -6.213 5.682 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.325 -5.875 4.151 1.00 0.00 H new ATOM 0 HE ARG A 15 5.495 -4.007 4.779 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.537 -6.959 3.061 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.063 -7.062 2.177 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.523 -4.303 3.737 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.707 -5.599 2.550 1.00 0.00 H new ATOM 238 N SER A 16 -0.819 -3.135 3.601 1.00 0.00 N ATOM 239 CA SER A 16 -1.682 -2.627 2.545 1.00 0.00 C ATOM 240 C SER A 16 -2.789 -1.683 3.058 1.00 0.00 C ATOM 241 O SER A 16 -2.919 -0.599 2.489 1.00 0.00 O ATOM 242 CB SER A 16 -2.268 -3.787 1.730 1.00 0.00 C ATOM 243 OG SER A 16 -1.366 -4.874 1.590 1.00 0.00 O ATOM 0 H SER A 16 -0.816 -4.152 3.680 1.00 0.00 H new ATOM 0 HA SER A 16 -1.056 -2.017 1.894 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.181 -4.138 2.212 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.549 -3.424 0.741 1.00 0.00 H new ATOM 0 HG SER A 16 -0.460 -4.530 1.442 1.00 0.00 H new ATOM 249 N PRO A 17 -3.577 -2.003 4.111 1.00 0.00 N ATOM 250 CA PRO A 17 -4.661 -1.126 4.537 1.00 0.00 C ATOM 251 C PRO A 17 -4.159 0.151 5.207 1.00 0.00 C ATOM 252 O PRO A 17 -4.846 1.170 5.143 1.00 0.00 O ATOM 253 CB PRO A 17 -5.519 -1.945 5.498 1.00 0.00 C ATOM 254 CG PRO A 17 -4.541 -2.962 6.076 1.00 0.00 C ATOM 255 CD PRO A 17 -3.620 -3.233 4.891 1.00 0.00 C ATOM 0 HA PRO A 17 -5.230 -0.789 3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.955 -1.320 6.278 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.345 -2.433 4.981 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -3.997 -2.563 6.932 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.047 -3.867 6.414 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.623 -3.512 5.231 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.995 -4.061 4.289 1.00 0.00 H new ATOM 263 N THR A 18 -2.975 0.132 5.827 1.00 0.00 N ATOM 264 CA THR A 18 -2.401 1.340 6.398 1.00 0.00 C ATOM 265 C THR A 18 -2.021 2.298 5.262 1.00 0.00 C ATOM 266 O THR A 18 -2.400 3.469 5.313 1.00 0.00 O ATOM 267 CB THR A 18 -1.240 0.974 7.339 1.00 0.00 C ATOM 268 OG1 THR A 18 -1.689 0.044 8.304 1.00 0.00 O ATOM 269 CG2 THR A 18 -0.702 2.189 8.098 1.00 0.00 C ATOM 0 H THR A 18 -2.403 -0.705 5.943 1.00 0.00 H new ATOM 0 HA THR A 18 -3.124 1.869 7.019 1.00 0.00 H new ATOM 0 HB THR A 18 -0.447 0.563 6.715 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.304 -0.837 8.114 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.116 1.879 8.749 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.338 2.931 7.387 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.500 2.624 8.700 1.00 0.00 H new ATOM 277 N ALA A 19 -1.371 1.801 4.198 1.00 0.00 N ATOM 278 CA ALA A 19 -1.093 2.608 3.012 1.00 0.00 C ATOM 279 C ALA A 19 -2.388 3.132 2.392 1.00 0.00 C ATOM 280 O ALA A 19 -2.468 4.313 2.064 1.00 0.00 O ATOM 281 CB ALA A 19 -0.347 1.775 1.971 1.00 0.00 C ATOM 0 H ALA A 19 -1.030 0.842 4.140 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.478 3.453 3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.145 2.387 1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.595 1.424 2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.958 0.919 1.685 1.00 0.00 H new ATOM 287 N GLU A 20 -3.391 2.258 2.245 1.00 0.00 N ATOM 288 CA GLU A 20 -4.678 2.622 1.670 1.00 0.00 C ATOM 289 C GLU A 20 -5.285 3.780 2.456 1.00 0.00 C ATOM 290 O GLU A 20 -5.535 4.836 1.885 1.00 0.00 O ATOM 291 CB GLU A 20 -5.600 1.392 1.651 1.00 0.00 C ATOM 292 CG GLU A 20 -6.959 1.664 0.990 1.00 0.00 C ATOM 293 CD GLU A 20 -7.908 0.456 1.096 1.00 0.00 C ATOM 294 OE1 GLU A 20 -7.456 -0.688 0.877 1.00 0.00 O ATOM 295 OE2 GLU A 20 -9.109 0.651 1.392 1.00 0.00 O ATOM 0 H GLU A 20 -3.326 1.279 2.524 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.548 2.956 0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.101 0.581 1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.762 1.052 2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.423 2.531 1.460 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.807 1.914 -0.060 1.00 0.00 H new ATOM 302 N ARG A 21 -5.490 3.628 3.767 1.00 0.00 N ATOM 303 CA ARG A 21 -6.146 4.662 4.564 1.00 0.00 C ATOM 304 C ARG A 21 -5.331 5.946 4.587 1.00 0.00 C ATOM 305 O ARG A 21 -5.928 7.018 4.572 1.00 0.00 O ATOM 306 CB ARG A 21 -6.423 4.146 5.985 1.00 0.00 C ATOM 307 CG ARG A 21 -7.553 3.112 6.024 1.00 0.00 C ATOM 308 CD ARG A 21 -8.948 3.726 5.817 1.00 0.00 C ATOM 309 NE ARG A 21 -9.970 2.659 5.820 1.00 0.00 N ATOM 310 CZ ARG A 21 -10.232 1.849 4.786 1.00 0.00 C ATOM 311 NH1 ARG A 21 -9.709 2.114 3.593 1.00 0.00 N ATOM 312 NH2 ARG A 21 -10.997 0.778 4.956 1.00 0.00 N ATOM 0 H ARG A 21 -5.211 2.801 4.295 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.102 4.899 4.096 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.514 3.701 6.390 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.681 4.986 6.629 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.376 2.362 5.253 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.530 2.595 6.983 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.159 4.447 6.607 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.980 4.270 4.873 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.516 2.530 6.672 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.111 2.931 3.468 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.905 1.500 2.802 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.387 0.570 5.875 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.195 0.162 4.167 1.00 0.00 H new ATOM 326 N LEU A 22 -4.000 5.872 4.588 1.00 0.00 N ATOM 327 CA LEU A 22 -3.159 7.062 4.526 1.00 0.00 C ATOM 328 C LEU A 22 -3.368 7.799 3.204 1.00 0.00 C ATOM 329 O LEU A 22 -3.524 9.019 3.199 1.00 0.00 O ATOM 330 CB LEU A 22 -1.685 6.669 4.700 1.00 0.00 C ATOM 331 CG LEU A 22 -1.283 6.446 6.168 1.00 0.00 C ATOM 332 CD1 LEU A 22 0.032 5.669 6.224 1.00 0.00 C ATOM 333 CD2 LEU A 22 -1.116 7.794 6.880 1.00 0.00 C ATOM 0 H LEU A 22 -3.481 4.995 4.631 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.441 7.735 5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.490 5.757 4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.055 7.450 4.273 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.065 5.876 6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.317 5.511 7.264 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.094 4.705 5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.812 6.237 5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.831 7.624 7.918 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.340 8.375 6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.058 8.342 6.847 1.00 0.00 H new ATOM 345 N LEU A 23 -3.407 7.082 2.080 1.00 0.00 N ATOM 346 CA LEU A 23 -3.647 7.691 0.777 1.00 0.00 C ATOM 347 C LEU A 23 -5.062 8.266 0.709 1.00 0.00 C ATOM 348 O LEU A 23 -5.233 9.386 0.233 1.00 0.00 O ATOM 349 CB LEU A 23 -3.439 6.658 -0.340 1.00 0.00 C ATOM 350 CG LEU A 23 -1.959 6.345 -0.628 1.00 0.00 C ATOM 351 CD1 LEU A 23 -1.815 4.985 -1.323 1.00 0.00 C ATOM 352 CD2 LEU A 23 -1.331 7.442 -1.500 1.00 0.00 C ATOM 0 H LEU A 23 -3.274 6.071 2.050 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.935 8.504 0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.950 5.734 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.908 7.025 -1.253 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.434 6.309 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.761 4.785 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.221 4.203 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.361 4.999 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.285 7.201 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.868 7.506 -2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.394 8.399 -0.982 1.00 0.00 H new ATOM 364 N GLN A 24 -6.066 7.542 1.216 1.00 0.00 N ATOM 365 CA GLN A 24 -7.446 8.019 1.246 1.00 0.00 C ATOM 366 C GLN A 24 -7.573 9.272 2.127 1.00 0.00 C ATOM 367 O GLN A 24 -8.303 10.193 1.771 1.00 0.00 O ATOM 368 CB GLN A 24 -8.387 6.910 1.752 1.00 0.00 C ATOM 369 CG GLN A 24 -8.518 5.688 0.820 1.00 0.00 C ATOM 370 CD GLN A 24 -9.087 6.029 -0.552 1.00 0.00 C ATOM 371 OE1 GLN A 24 -8.419 5.888 -1.571 1.00 0.00 O ATOM 372 NE2 GLN A 24 -10.328 6.476 -0.608 1.00 0.00 N ATOM 0 H GLN A 24 -5.942 6.612 1.615 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.736 8.286 0.230 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.032 6.569 2.725 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.378 7.338 1.906 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.537 5.230 0.694 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.158 4.945 1.296 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -10.869 6.587 0.249 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.746 6.710 -1.509 1.00 0.00 H new ATOM 381 N ARG A 25 -6.855 9.343 3.255 1.00 0.00 N ATOM 382 CA ARG A 25 -6.804 10.522 4.116 1.00 0.00 C ATOM 383 C ARG A 25 -6.311 11.727 3.314 1.00 0.00 C ATOM 384 O ARG A 25 -6.968 12.769 3.327 1.00 0.00 O ATOM 385 CB ARG A 25 -5.926 10.204 5.344 1.00 0.00 C ATOM 386 CG ARG A 25 -5.452 11.412 6.169 1.00 0.00 C ATOM 387 CD ARG A 25 -4.507 10.933 7.281 1.00 0.00 C ATOM 388 NE ARG A 25 -3.764 12.052 7.889 1.00 0.00 N ATOM 389 CZ ARG A 25 -2.522 11.984 8.394 1.00 0.00 C ATOM 390 NH1 ARG A 25 -1.879 10.823 8.472 1.00 0.00 N ATOM 391 NH2 ARG A 25 -1.917 13.084 8.828 1.00 0.00 N ATOM 0 H ARG A 25 -6.286 8.569 3.597 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.796 10.783 4.484 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.484 9.538 6.001 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.048 9.655 5.005 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.940 12.127 5.525 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.308 11.929 6.602 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.083 10.419 8.050 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.803 10.209 6.872 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.234 12.956 7.929 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.329 9.968 8.146 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.936 10.787 8.858 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.396 13.983 8.778 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.973 13.030 9.211 1.00 0.00 H new ATOM 405 N TYR A 26 -5.175 11.596 2.621 1.00 0.00 N ATOM 406 CA TYR A 26 -4.609 12.712 1.868 1.00 0.00 C ATOM 407 C TYR A 26 -5.454 13.070 0.637 1.00 0.00 C ATOM 408 O TYR A 26 -5.561 14.254 0.309 1.00 0.00 O ATOM 409 CB TYR A 26 -3.144 12.434 1.496 1.00 0.00 C ATOM 410 CG TYR A 26 -2.189 12.489 2.679 1.00 0.00 C ATOM 411 CD1 TYR A 26 -2.054 13.684 3.414 1.00 0.00 C ATOM 412 CD2 TYR A 26 -1.437 11.358 3.055 1.00 0.00 C ATOM 413 CE1 TYR A 26 -1.209 13.744 4.535 1.00 0.00 C ATOM 414 CE2 TYR A 26 -0.588 11.408 4.176 1.00 0.00 C ATOM 415 CZ TYR A 26 -0.477 12.600 4.928 1.00 0.00 C ATOM 416 OH TYR A 26 0.341 12.645 6.017 1.00 0.00 O ATOM 0 H TYR A 26 -4.635 10.732 2.568 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.628 13.587 2.517 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.077 11.450 1.032 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.824 13.161 0.749 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.606 14.562 3.113 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.513 10.447 2.479 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.119 14.663 5.096 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.021 10.535 4.462 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.012 13.290 6.665 1.00 0.00 H new ATOM 426 N HIS A 27 -6.078 12.093 -0.029 1.00 0.00 N ATOM 427 CA HIS A 27 -6.852 12.278 -1.255 1.00 0.00 C ATOM 428 C HIS A 27 -8.124 11.412 -1.184 1.00 0.00 C ATOM 429 O HIS A 27 -8.116 10.274 -1.655 1.00 0.00 O ATOM 430 CB HIS A 27 -5.992 11.929 -2.490 1.00 0.00 C ATOM 431 CG HIS A 27 -4.962 12.957 -2.910 1.00 0.00 C ATOM 432 ND1 HIS A 27 -4.792 14.227 -2.402 1.00 0.00 N ATOM 433 CD2 HIS A 27 -4.088 12.832 -3.958 1.00 0.00 C ATOM 434 CE1 HIS A 27 -3.855 14.852 -3.132 1.00 0.00 C ATOM 435 NE2 HIS A 27 -3.398 14.041 -4.103 1.00 0.00 N ATOM 0 H HIS A 27 -6.056 11.122 0.282 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.149 13.322 -1.353 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.475 10.990 -2.291 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.661 11.753 -3.332 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -5.293 14.624 -1.607 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.954 11.951 -4.568 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.516 15.863 -2.964 1.00 0.00 H new ATOM 443 N PRO A 28 -9.238 11.914 -0.618 1.00 0.00 N ATOM 444 CA PRO A 28 -10.457 11.120 -0.444 1.00 0.00 C ATOM 445 C PRO A 28 -11.194 10.834 -1.763 1.00 0.00 C ATOM 446 O PRO A 28 -12.021 9.923 -1.813 1.00 0.00 O ATOM 447 CB PRO A 28 -11.322 11.916 0.537 1.00 0.00 C ATOM 448 CG PRO A 28 -10.871 13.361 0.329 1.00 0.00 C ATOM 449 CD PRO A 28 -9.384 13.219 0.011 1.00 0.00 C ATOM 0 HA PRO A 28 -10.216 10.127 -0.063 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.384 11.794 0.324 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.163 11.591 1.565 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.414 13.839 -0.487 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.036 13.967 1.220 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.048 14.014 -0.655 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.782 13.286 0.917 1.00 0.00 H new ATOM 457 N GLU A 29 -10.900 11.585 -2.833 1.00 0.00 N ATOM 458 CA GLU A 29 -11.464 11.336 -4.163 1.00 0.00 C ATOM 459 C GLU A 29 -10.762 10.148 -4.858 1.00 0.00 C ATOM 460 O GLU A 29 -11.220 9.655 -5.891 1.00 0.00 O ATOM 461 CB GLU A 29 -11.346 12.641 -4.975 1.00 0.00 C ATOM 462 CG GLU A 29 -12.142 12.635 -6.288 1.00 0.00 C ATOM 463 CD GLU A 29 -12.185 14.034 -6.928 1.00 0.00 C ATOM 464 OE1 GLU A 29 -11.240 14.406 -7.660 1.00 0.00 O ATOM 465 OE2 GLU A 29 -13.175 14.773 -6.724 1.00 0.00 O ATOM 0 H GLU A 29 -10.264 12.382 -2.799 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.513 11.052 -4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.688 13.472 -4.359 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.295 12.823 -5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.691 11.929 -6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.158 12.290 -6.097 1.00 0.00 H new ATOM 472 N LEU A 30 -9.632 9.689 -4.313 1.00 0.00 N ATOM 473 CA LEU A 30 -8.848 8.587 -4.858 1.00 0.00 C ATOM 474 C LEU A 30 -9.533 7.251 -4.534 1.00 0.00 C ATOM 475 O LEU A 30 -10.309 7.157 -3.576 1.00 0.00 O ATOM 476 CB LEU A 30 -7.431 8.695 -4.268 1.00 0.00 C ATOM 477 CG LEU A 30 -6.284 8.010 -5.027 1.00 0.00 C ATOM 478 CD1 LEU A 30 -6.154 8.528 -6.463 1.00 0.00 C ATOM 479 CD2 LEU A 30 -4.982 8.327 -4.272 1.00 0.00 C ATOM 0 H LEU A 30 -9.232 10.084 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.778 8.636 -5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.187 9.753 -4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.457 8.285 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.484 6.940 -5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.331 8.016 -6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.081 8.337 -7.004 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.958 9.600 -6.447 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.142 7.856 -4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.831 9.406 -4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.049 7.944 -3.254 1.00 0.00 H new ATOM 491 N LYS A 31 -9.239 6.219 -5.331 1.00 0.00 N ATOM 492 CA LYS A 31 -9.814 4.884 -5.168 1.00 0.00 C ATOM 493 C LYS A 31 -8.651 3.924 -4.969 1.00 0.00 C ATOM 494 O LYS A 31 -8.310 3.133 -5.853 1.00 0.00 O ATOM 495 CB LYS A 31 -10.708 4.577 -6.385 1.00 0.00 C ATOM 496 CG LYS A 31 -11.365 3.187 -6.457 1.00 0.00 C ATOM 497 CD LYS A 31 -12.072 2.726 -5.174 1.00 0.00 C ATOM 498 CE LYS A 31 -12.963 1.519 -5.510 1.00 0.00 C ATOM 499 NZ LYS A 31 -13.581 0.901 -4.313 1.00 0.00 N ATOM 0 H LYS A 31 -8.589 6.290 -6.114 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.465 4.791 -4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.501 5.325 -6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.108 4.711 -7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.090 3.188 -7.271 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.599 2.455 -6.713 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.338 2.455 -4.415 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.673 3.536 -4.761 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.750 1.835 -6.195 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.368 0.770 -6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.532 0.556 -4.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.994 0.105 -3.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.651 1.608 -3.554 1.00 0.00 H new ATOM 513 N VAL A 32 -7.996 4.036 -3.819 1.00 0.00 N ATOM 514 CA VAL A 32 -6.987 3.071 -3.430 1.00 0.00 C ATOM 515 C VAL A 32 -7.712 1.887 -2.790 1.00 0.00 C ATOM 516 O VAL A 32 -8.670 2.073 -2.035 1.00 0.00 O ATOM 517 CB VAL A 32 -5.961 3.704 -2.473 1.00 0.00 C ATOM 518 CG1 VAL A 32 -4.758 2.768 -2.285 1.00 0.00 C ATOM 519 CG2 VAL A 32 -5.452 5.050 -3.007 1.00 0.00 C ATOM 0 H VAL A 32 -8.149 4.786 -3.144 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.421 2.731 -4.297 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.465 3.866 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.041 3.229 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.096 1.820 -1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.282 2.590 -3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.729 5.469 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.974 4.900 -3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.290 5.738 -3.118 1.00 0.00 H new ATOM 529 N GLU A 33 -7.239 0.677 -3.072 1.00 0.00 N ATOM 530 CA GLU A 33 -7.667 -0.528 -2.378 1.00 0.00 C ATOM 531 C GLU A 33 -6.440 -1.420 -2.131 1.00 0.00 C ATOM 532 O GLU A 33 -5.323 -1.046 -2.506 1.00 0.00 O ATOM 533 CB GLU A 33 -8.827 -1.198 -3.137 1.00 0.00 C ATOM 534 CG GLU A 33 -9.941 -1.614 -2.164 1.00 0.00 C ATOM 535 CD GLU A 33 -11.234 -2.008 -2.895 1.00 0.00 C ATOM 536 OE1 GLU A 33 -12.046 -1.107 -3.207 1.00 0.00 O ATOM 537 OE2 GLU A 33 -11.445 -3.221 -3.123 1.00 0.00 O ATOM 0 H GLU A 33 -6.541 0.506 -3.796 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.079 -0.300 -1.395 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.226 -0.510 -3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.460 -2.073 -3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.598 -2.453 -1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.149 -0.792 -1.480 1.00 0.00 H new ATOM 544 N SER A 34 -6.618 -2.586 -1.505 1.00 0.00 N ATOM 545 CA SER A 34 -5.492 -3.388 -1.020 1.00 0.00 C ATOM 546 C SER A 34 -5.622 -4.879 -1.353 1.00 0.00 C ATOM 547 O SER A 34 -6.726 -5.364 -1.616 1.00 0.00 O ATOM 548 CB SER A 34 -5.375 -3.165 0.494 1.00 0.00 C ATOM 549 OG SER A 34 -6.634 -3.073 1.127 1.00 0.00 O ATOM 0 H SER A 34 -7.534 -2.997 -1.322 1.00 0.00 H new ATOM 0 HA SER A 34 -4.586 -3.062 -1.531 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.809 -3.985 0.936 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.811 -2.251 0.681 1.00 0.00 H new ATOM 0 HG SER A 34 -6.802 -2.143 1.388 1.00 0.00 H new ATOM 555 N ALA A 35 -4.493 -5.595 -1.351 1.00 0.00 N ATOM 556 CA ALA A 35 -4.420 -7.053 -1.449 1.00 0.00 C ATOM 557 C ALA A 35 -3.014 -7.481 -0.987 1.00 0.00 C ATOM 558 O ALA A 35 -2.244 -6.658 -0.472 1.00 0.00 O ATOM 559 CB ALA A 35 -4.676 -7.492 -2.903 1.00 0.00 C ATOM 0 H ALA A 35 -3.574 -5.158 -1.279 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.177 -7.524 -0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.620 -8.579 -2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.666 -7.159 -3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.923 -7.049 -3.555 1.00 0.00 H new ATOM 565 N GLY A 36 -2.635 -8.744 -1.207 1.00 0.00 N ATOM 566 CA GLY A 36 -1.264 -9.191 -0.984 1.00 0.00 C ATOM 567 C GLY A 36 -0.856 -10.387 -1.819 1.00 0.00 C ATOM 568 O GLY A 36 -1.698 -11.175 -2.245 1.00 0.00 O ATOM 0 H GLY A 36 -3.264 -9.474 -1.541 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.585 -8.365 -1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.142 -9.440 0.070 1.00 0.00 H new ATOM 572 N LEU A 37 0.457 -10.534 -2.021 1.00 0.00 N ATOM 573 CA LEU A 37 1.040 -11.701 -2.692 1.00 0.00 C ATOM 574 C LEU A 37 0.882 -12.960 -1.835 1.00 0.00 C ATOM 575 O LEU A 37 0.715 -14.052 -2.377 1.00 0.00 O ATOM 576 CB LEU A 37 2.534 -11.443 -2.977 1.00 0.00 C ATOM 577 CG LEU A 37 2.777 -10.539 -4.203 1.00 0.00 C ATOM 578 CD1 LEU A 37 4.171 -9.908 -4.128 1.00 0.00 C ATOM 579 CD2 LEU A 37 2.644 -11.319 -5.517 1.00 0.00 C ATOM 0 H LEU A 37 1.148 -9.845 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 37 0.512 -11.860 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.989 -10.983 -2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.036 -12.398 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 37 2.016 -9.759 -4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.330 -9.272 -4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.250 -9.308 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.926 -10.694 -4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.822 -10.649 -6.358 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.375 -12.127 -5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.640 -11.737 -5.592 1.00 0.00 H new ATOM 591 N GLY A 38 0.896 -12.797 -0.508 1.00 0.00 N ATOM 592 CA GLY A 38 0.773 -13.887 0.454 1.00 0.00 C ATOM 593 C GLY A 38 -0.122 -13.415 1.595 1.00 0.00 C ATOM 594 O GLY A 38 0.290 -13.401 2.756 1.00 0.00 O ATOM 0 H GLY A 38 0.995 -11.882 -0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.347 -14.769 -0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.754 -14.172 0.833 1.00 0.00 H new ATOM 598 N ALA A 39 -1.303 -12.910 1.225 1.00 0.00 N ATOM 599 CA ALA A 39 -2.296 -12.437 2.181 1.00 0.00 C ATOM 600 C ALA A 39 -2.998 -13.607 2.884 1.00 0.00 C ATOM 601 O ALA A 39 -2.764 -14.778 2.568 1.00 0.00 O ATOM 602 CB ALA A 39 -3.324 -11.590 1.428 1.00 0.00 C ATOM 0 H ALA A 39 -1.593 -12.820 0.251 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.798 -11.844 2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.077 -11.226 2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.824 -10.743 0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.804 -12.198 0.661 1.00 0.00 H new ATOM 608 N LEU A 40 -3.920 -13.268 3.789 1.00 0.00 N ATOM 609 CA LEU A 40 -4.752 -14.225 4.506 1.00 0.00 C ATOM 610 C LEU A 40 -6.191 -13.787 4.252 1.00 0.00 C ATOM 611 O LEU A 40 -6.685 -12.860 4.894 1.00 0.00 O ATOM 612 CB LEU A 40 -4.407 -14.232 6.009 1.00 0.00 C ATOM 613 CG LEU A 40 -2.992 -14.727 6.363 1.00 0.00 C ATOM 614 CD1 LEU A 40 -2.757 -14.561 7.869 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.770 -16.196 5.979 1.00 0.00 C ATOM 0 H LEU A 40 -4.109 -12.299 4.046 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.591 -15.247 4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.526 -13.220 6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.132 -14.859 6.527 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.285 -14.126 5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.756 -14.911 8.122 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.853 -13.509 8.138 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.495 -15.145 8.419 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.757 -16.494 6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.487 -16.823 6.509 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.908 -16.316 4.904 1.00 0.00 H new ATOM 627 N VAL A 41 -6.819 -14.395 3.245 1.00 0.00 N ATOM 628 CA VAL A 41 -8.164 -14.039 2.800 1.00 0.00 C ATOM 629 C VAL A 41 -9.136 -13.980 3.991 1.00 0.00 C ATOM 630 O VAL A 41 -9.302 -14.962 4.719 1.00 0.00 O ATOM 631 CB VAL A 41 -8.645 -15.013 1.697 1.00 0.00 C ATOM 632 CG1 VAL A 41 -9.915 -14.479 1.019 1.00 0.00 C ATOM 633 CG2 VAL A 41 -7.583 -15.252 0.608 1.00 0.00 C ATOM 0 H VAL A 41 -6.402 -15.157 2.710 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.138 -13.041 2.362 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.845 -15.959 2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.237 -15.178 0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.705 -14.370 1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.706 -13.510 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.976 -15.943 -0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.333 -14.305 0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.687 -15.678 1.060 1.00 0.00 H new ATOM 643 N GLY A 42 -9.775 -12.822 4.175 1.00 0.00 N ATOM 644 CA GLY A 42 -10.825 -12.629 5.169 1.00 0.00 C ATOM 645 C GLY A 42 -10.317 -12.494 6.607 1.00 0.00 C ATOM 646 O GLY A 42 -11.141 -12.450 7.524 1.00 0.00 O ATOM 0 H GLY A 42 -9.573 -11.984 3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.392 -11.735 4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.516 -13.471 5.118 1.00 0.00 H new ATOM 650 N LYS A 43 -8.999 -12.433 6.844 1.00 0.00 N ATOM 651 CA LYS A 43 -8.454 -12.427 8.207 1.00 0.00 C ATOM 652 C LYS A 43 -8.744 -11.125 8.967 1.00 0.00 C ATOM 653 O LYS A 43 -8.679 -11.131 10.198 1.00 0.00 O ATOM 654 CB LYS A 43 -6.952 -12.770 8.163 1.00 0.00 C ATOM 655 CG LYS A 43 -6.354 -13.151 9.532 1.00 0.00 C ATOM 656 CD LYS A 43 -5.564 -12.015 10.206 1.00 0.00 C ATOM 657 CE LYS A 43 -5.375 -12.237 11.715 1.00 0.00 C ATOM 658 NZ LYS A 43 -4.563 -13.439 12.040 1.00 0.00 N ATOM 0 H LYS A 43 -8.292 -12.387 6.110 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.968 -13.198 8.780 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.799 -13.596 7.469 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.406 -11.914 7.765 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.161 -13.463 10.196 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.697 -14.011 9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.587 -11.926 9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.084 -11.071 10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.897 -11.358 12.147 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.354 -12.331 12.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.475 -13.530 13.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.028 -14.286 11.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.617 -13.343 11.619 1.00 0.00 H new ATOM 672 N GLY A 44 -9.095 -10.026 8.290 1.00 0.00 N ATOM 673 CA GLY A 44 -9.279 -8.727 8.932 1.00 0.00 C ATOM 674 C GLY A 44 -7.946 -7.993 9.092 1.00 0.00 C ATOM 675 O GLY A 44 -6.874 -8.585 8.933 1.00 0.00 O ATOM 0 H GLY A 44 -9.258 -10.016 7.283 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.962 -8.119 8.339 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.741 -8.864 9.910 1.00 0.00 H new ATOM 679 N ALA A 45 -8.019 -6.691 9.385 1.00 0.00 N ATOM 680 CA ALA A 45 -6.836 -5.899 9.706 1.00 0.00 C ATOM 681 C ALA A 45 -6.250 -6.366 11.046 1.00 0.00 C ATOM 682 O ALA A 45 -6.994 -6.729 11.961 1.00 0.00 O ATOM 683 CB ALA A 45 -7.204 -4.411 9.762 1.00 0.00 C ATOM 0 H ALA A 45 -8.892 -6.164 9.405 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.083 -6.038 8.930 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.317 -3.825 10.002 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.596 -4.096 8.795 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.962 -4.252 10.529 1.00 0.00 H new ATOM 689 N ASP A 46 -4.923 -6.334 11.169 1.00 0.00 N ATOM 690 CA ASP A 46 -4.237 -6.699 12.410 1.00 0.00 C ATOM 691 C ASP A 46 -4.448 -5.598 13.464 1.00 0.00 C ATOM 692 O ASP A 46 -4.156 -4.437 13.165 1.00 0.00 O ATOM 693 CB ASP A 46 -2.739 -6.901 12.160 1.00 0.00 C ATOM 694 CG ASP A 46 -2.059 -7.406 13.439 1.00 0.00 C ATOM 695 OD1 ASP A 46 -1.776 -6.581 14.334 1.00 0.00 O ATOM 696 OD2 ASP A 46 -1.832 -8.631 13.556 1.00 0.00 O ATOM 0 H ASP A 46 -4.295 -6.056 10.415 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.656 -7.636 12.777 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.590 -7.617 11.352 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.285 -5.962 11.843 1.00 0.00 H new ATOM 701 N PRO A 47 -4.923 -5.901 14.689 1.00 0.00 N ATOM 702 CA PRO A 47 -5.169 -4.904 15.733 1.00 0.00 C ATOM 703 C PRO A 47 -3.993 -3.973 16.059 1.00 0.00 C ATOM 704 O PRO A 47 -4.212 -2.862 16.547 1.00 0.00 O ATOM 705 CB PRO A 47 -5.575 -5.701 16.977 1.00 0.00 C ATOM 706 CG PRO A 47 -6.197 -6.966 16.398 1.00 0.00 C ATOM 707 CD PRO A 47 -5.369 -7.213 15.140 1.00 0.00 C ATOM 0 HA PRO A 47 -5.939 -4.220 15.375 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.715 -5.928 17.607 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.285 -5.150 17.593 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.132 -7.802 17.094 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.253 -6.826 16.165 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.520 -7.862 15.353 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.964 -7.708 14.372 1.00 0.00 H new ATOM 715 N THR A 48 -2.753 -4.382 15.802 1.00 0.00 N ATOM 716 CA THR A 48 -1.586 -3.565 16.103 1.00 0.00 C ATOM 717 C THR A 48 -1.508 -2.419 15.085 1.00 0.00 C ATOM 718 O THR A 48 -1.212 -1.281 15.449 1.00 0.00 O ATOM 719 CB THR A 48 -0.314 -4.438 16.091 1.00 0.00 C ATOM 720 OG1 THR A 48 -0.579 -5.768 16.494 1.00 0.00 O ATOM 721 CG2 THR A 48 0.765 -3.853 17.005 1.00 0.00 C ATOM 0 H THR A 48 -2.532 -5.285 15.381 1.00 0.00 H new ATOM 0 HA THR A 48 -1.670 -3.133 17.100 1.00 0.00 H new ATOM 0 HB THR A 48 0.041 -4.447 15.061 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.697 -6.333 15.702 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.650 -4.489 16.977 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.027 -2.851 16.664 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.388 -3.801 18.026 1.00 0.00 H new ATOM 729 N ALA A 49 -1.864 -2.694 13.823 1.00 0.00 N ATOM 730 CA ALA A 49 -1.985 -1.663 12.808 1.00 0.00 C ATOM 731 C ALA A 49 -3.134 -0.716 13.157 1.00 0.00 C ATOM 732 O ALA A 49 -2.968 0.500 13.067 1.00 0.00 O ATOM 733 CB ALA A 49 -2.212 -2.327 11.447 1.00 0.00 C ATOM 0 H ALA A 49 -2.073 -3.634 13.488 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.069 -1.074 12.765 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.304 -1.559 10.679 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.368 -2.975 11.213 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.126 -2.920 11.479 1.00 0.00 H new ATOM 739 N ILE A 50 -4.279 -1.262 13.589 1.00 0.00 N ATOM 740 CA ILE A 50 -5.442 -0.456 13.955 1.00 0.00 C ATOM 741 C ILE A 50 -5.066 0.490 15.100 1.00 0.00 C ATOM 742 O ILE A 50 -5.308 1.691 14.993 1.00 0.00 O ATOM 743 CB ILE A 50 -6.666 -1.337 14.315 1.00 0.00 C ATOM 744 CG1 ILE A 50 -7.014 -2.363 13.207 1.00 0.00 C ATOM 745 CG2 ILE A 50 -7.899 -0.457 14.614 1.00 0.00 C ATOM 746 CD1 ILE A 50 -8.172 -3.307 13.557 1.00 0.00 C ATOM 0 H ILE A 50 -4.421 -2.267 13.693 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.740 0.139 13.092 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.390 -1.900 15.206 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.265 -1.822 12.294 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.128 -2.960 12.990 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.748 -1.093 14.865 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.680 0.203 15.453 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.141 0.141 13.735 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.348 -3.991 12.727 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.919 -3.878 14.450 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.074 -2.723 13.743 1.00 0.00 H new ATOM 758 N SER A 51 -4.466 -0.019 16.180 1.00 0.00 N ATOM 759 CA SER A 51 -4.185 0.801 17.353 1.00 0.00 C ATOM 760 C SER A 51 -3.145 1.875 17.037 1.00 0.00 C ATOM 761 O SER A 51 -3.268 2.998 17.524 1.00 0.00 O ATOM 762 CB SER A 51 -3.769 -0.073 18.543 1.00 0.00 C ATOM 763 OG SER A 51 -2.636 -0.864 18.237 1.00 0.00 O ATOM 0 H SER A 51 -4.168 -0.991 16.263 1.00 0.00 H new ATOM 0 HA SER A 51 -5.101 1.319 17.637 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.550 0.561 19.402 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.599 -0.720 18.828 1.00 0.00 H new ATOM 0 HG SER A 51 -2.906 -1.616 17.669 1.00 0.00 H new ATOM 769 N VAL A 52 -2.118 1.566 16.238 1.00 0.00 N ATOM 770 CA VAL A 52 -1.148 2.570 15.805 1.00 0.00 C ATOM 771 C VAL A 52 -1.848 3.633 14.957 1.00 0.00 C ATOM 772 O VAL A 52 -1.622 4.822 15.180 1.00 0.00 O ATOM 773 CB VAL A 52 0.031 1.885 15.086 1.00 0.00 C ATOM 774 CG1 VAL A 52 0.923 2.858 14.303 1.00 0.00 C ATOM 775 CG2 VAL A 52 0.906 1.178 16.132 1.00 0.00 C ATOM 0 H VAL A 52 -1.940 0.628 15.880 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.725 3.088 16.666 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.404 1.189 14.369 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.731 2.305 13.824 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.329 3.365 13.543 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.344 3.596 14.986 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.744 0.689 15.635 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.284 1.911 16.845 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.312 0.432 16.659 1.00 0.00 H new ATOM 785 N ALA A 53 -2.729 3.253 14.028 1.00 0.00 N ATOM 786 CA ALA A 53 -3.422 4.226 13.199 1.00 0.00 C ATOM 787 C ALA A 53 -4.343 5.107 14.054 1.00 0.00 C ATOM 788 O ALA A 53 -4.393 6.320 13.849 1.00 0.00 O ATOM 789 CB ALA A 53 -4.185 3.504 12.092 1.00 0.00 C ATOM 0 H ALA A 53 -2.974 2.282 13.836 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.695 4.889 12.730 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.704 4.235 11.472 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.485 2.938 11.477 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.912 2.823 12.535 1.00 0.00 H new ATOM 795 N ALA A 54 -5.010 4.529 15.059 1.00 0.00 N ATOM 796 CA ALA A 54 -5.848 5.280 15.986 1.00 0.00 C ATOM 797 C ALA A 54 -5.022 6.235 16.855 1.00 0.00 C ATOM 798 O ALA A 54 -5.511 7.311 17.199 1.00 0.00 O ATOM 799 CB ALA A 54 -6.643 4.307 16.862 1.00 0.00 C ATOM 0 H ALA A 54 -4.981 3.527 15.248 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.537 5.891 15.403 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.269 4.869 17.555 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.273 3.680 16.231 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.954 3.678 17.425 1.00 0.00 H new ATOM 805 N GLU A 55 -3.764 5.901 17.167 1.00 0.00 N ATOM 806 CA GLU A 55 -2.847 6.814 17.856 1.00 0.00 C ATOM 807 C GLU A 55 -2.553 8.072 17.014 1.00 0.00 C ATOM 808 O GLU A 55 -2.209 9.116 17.570 1.00 0.00 O ATOM 809 CB GLU A 55 -1.560 6.062 18.240 1.00 0.00 C ATOM 810 CG GLU A 55 -0.761 6.769 19.346 1.00 0.00 C ATOM 811 CD GLU A 55 0.483 5.964 19.759 1.00 0.00 C ATOM 812 OE1 GLU A 55 0.332 4.802 20.200 1.00 0.00 O ATOM 813 OE2 GLU A 55 1.615 6.493 19.664 1.00 0.00 O ATOM 0 H GLU A 55 -3.355 4.992 16.949 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.325 7.166 18.770 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.818 5.056 18.572 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.931 5.954 17.356 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.456 7.756 18.999 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.401 6.921 20.216 1.00 0.00 H new ATOM 820 N HIS A 56 -2.778 8.011 15.695 1.00 0.00 N ATOM 821 CA HIS A 56 -2.703 9.138 14.764 1.00 0.00 C ATOM 822 C HIS A 56 -4.104 9.552 14.267 1.00 0.00 C ATOM 823 O HIS A 56 -4.222 10.320 13.311 1.00 0.00 O ATOM 824 CB HIS A 56 -1.760 8.769 13.610 1.00 0.00 C ATOM 825 CG HIS A 56 -0.364 8.414 14.067 1.00 0.00 C ATOM 826 ND1 HIS A 56 0.574 9.276 14.593 1.00 0.00 N ATOM 827 CD2 HIS A 56 0.195 7.166 14.060 1.00 0.00 C ATOM 828 CE1 HIS A 56 1.671 8.559 14.894 1.00 0.00 C ATOM 829 NE2 HIS A 56 1.490 7.260 14.587 1.00 0.00 N ATOM 0 H HIS A 56 -3.027 7.138 15.231 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.298 10.010 15.278 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -2.181 7.926 13.062 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.705 9.606 12.914 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.280 6.262 13.708 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.574 8.969 15.323 1.00 0.00 H new ATOM 0 HE2 HIS A 56 2.159 6.500 14.712 1.00 0.00 H new ATOM 837 N GLN A 57 -5.157 9.066 14.940 1.00 0.00 N ATOM 838 CA GLN A 57 -6.559 9.369 14.645 1.00 0.00 C ATOM 839 C GLN A 57 -6.922 9.125 13.171 1.00 0.00 C ATOM 840 O GLN A 57 -7.670 9.895 12.563 1.00 0.00 O ATOM 841 CB GLN A 57 -6.964 10.760 15.184 1.00 0.00 C ATOM 842 CG GLN A 57 -6.873 10.904 16.715 1.00 0.00 C ATOM 843 CD GLN A 57 -5.439 11.052 17.230 1.00 0.00 C ATOM 844 OE1 GLN A 57 -4.783 12.071 17.023 1.00 0.00 O ATOM 845 NE2 GLN A 57 -4.910 10.040 17.897 1.00 0.00 N ATOM 0 H GLN A 57 -5.049 8.430 15.730 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.174 8.654 15.192 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.326 11.514 14.722 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.986 10.973 14.872 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.454 11.773 17.025 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.330 10.032 17.182 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -5.460 9.197 18.065 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.953 10.102 18.243 1.00 0.00 H new ATOM 854 N LEU A 58 -6.413 8.024 12.610 1.00 0.00 N ATOM 855 CA LEU A 58 -6.819 7.531 11.301 1.00 0.00 C ATOM 856 C LEU A 58 -7.517 6.199 11.535 1.00 0.00 C ATOM 857 O LEU A 58 -6.920 5.276 12.091 1.00 0.00 O ATOM 858 CB LEU A 58 -5.588 7.384 10.392 1.00 0.00 C ATOM 859 CG LEU A 58 -5.873 6.732 9.027 1.00 0.00 C ATOM 860 CD1 LEU A 58 -7.007 7.433 8.264 1.00 0.00 C ATOM 861 CD2 LEU A 58 -4.588 6.772 8.195 1.00 0.00 C ATOM 0 H LEU A 58 -5.701 7.448 13.060 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.496 8.221 10.798 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.156 8.371 10.225 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.837 6.791 10.913 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.197 5.706 9.201 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.166 6.933 7.309 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.923 7.390 8.853 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.738 8.474 8.088 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.770 6.314 7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.277 7.807 8.056 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.802 6.223 8.713 1.00 0.00 H new ATOM 873 N SER A 59 -8.783 6.104 11.143 1.00 0.00 N ATOM 874 CA SER A 59 -9.536 4.866 11.241 1.00 0.00 C ATOM 875 C SER A 59 -8.913 3.833 10.291 1.00 0.00 C ATOM 876 O SER A 59 -8.548 4.170 9.162 1.00 0.00 O ATOM 877 CB SER A 59 -11.003 5.136 10.874 1.00 0.00 C ATOM 878 OG SER A 59 -11.507 6.271 11.568 1.00 0.00 O ATOM 0 H SER A 59 -9.312 6.883 10.750 1.00 0.00 H new ATOM 0 HA SER A 59 -9.502 4.475 12.258 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.088 5.296 9.799 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.608 4.261 11.115 1.00 0.00 H new ATOM 0 HG SER A 59 -12.442 6.421 11.314 1.00 0.00 H new ATOM 884 N LEU A 60 -8.818 2.578 10.737 1.00 0.00 N ATOM 885 CA LEU A 60 -8.153 1.499 9.989 1.00 0.00 C ATOM 886 C LEU A 60 -9.147 0.346 9.763 1.00 0.00 C ATOM 887 O LEU A 60 -8.764 -0.798 9.529 1.00 0.00 O ATOM 888 CB LEU A 60 -6.914 1.072 10.808 1.00 0.00 C ATOM 889 CG LEU A 60 -5.619 0.694 10.061 1.00 0.00 C ATOM 890 CD1 LEU A 60 -5.671 -0.647 9.328 1.00 0.00 C ATOM 891 CD2 LEU A 60 -5.155 1.793 9.098 1.00 0.00 C ATOM 0 H LEU A 60 -9.202 2.276 11.633 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.825 1.823 9.001 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.674 1.887 11.491 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.202 0.217 11.420 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.886 0.585 10.860 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.717 -0.828 8.833 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.865 -1.446 10.044 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.468 -0.625 8.584 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.240 1.476 8.598 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.930 1.976 8.354 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.965 2.710 9.656 1.00 0.00 H new ATOM 903 N GLU A 61 -10.440 0.641 9.913 1.00 0.00 N ATOM 904 CA GLU A 61 -11.491 -0.370 9.946 1.00 0.00 C ATOM 905 C GLU A 61 -11.979 -0.691 8.529 1.00 0.00 C ATOM 906 O GLU A 61 -11.741 0.066 7.580 1.00 0.00 O ATOM 907 CB GLU A 61 -12.651 0.126 10.828 1.00 0.00 C ATOM 908 CG GLU A 61 -12.236 0.303 12.297 1.00 0.00 C ATOM 909 CD GLU A 61 -13.435 0.700 13.177 1.00 0.00 C ATOM 910 OE1 GLU A 61 -13.720 1.910 13.320 1.00 0.00 O ATOM 911 OE2 GLU A 61 -14.097 -0.195 13.752 1.00 0.00 O ATOM 0 H GLU A 61 -10.786 1.595 10.015 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.090 -1.289 10.373 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.018 1.076 10.440 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.477 -0.583 10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.802 -0.626 12.668 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.462 1.067 12.368 1.00 0.00 H new ATOM 918 N GLY A 62 -12.699 -1.809 8.396 1.00 0.00 N ATOM 919 CA GLY A 62 -13.419 -2.154 7.174 1.00 0.00 C ATOM 920 C GLY A 62 -12.561 -2.832 6.105 1.00 0.00 C ATOM 921 O GLY A 62 -13.084 -3.168 5.039 1.00 0.00 O ATOM 0 H GLY A 62 -12.797 -2.501 9.139 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.248 -2.814 7.429 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -13.852 -1.246 6.753 1.00 0.00 H new ATOM 925 N HIS A 63 -11.266 -3.042 6.357 1.00 0.00 N ATOM 926 CA HIS A 63 -10.407 -3.800 5.462 1.00 0.00 C ATOM 927 C HIS A 63 -10.733 -5.290 5.585 1.00 0.00 C ATOM 928 O HIS A 63 -10.952 -5.796 6.691 1.00 0.00 O ATOM 929 CB HIS A 63 -8.932 -3.555 5.801 1.00 0.00 C ATOM 930 CG HIS A 63 -8.009 -4.387 4.945 1.00 0.00 C ATOM 931 ND1 HIS A 63 -7.874 -4.304 3.578 1.00 0.00 N ATOM 932 CD2 HIS A 63 -7.195 -5.407 5.366 1.00 0.00 C ATOM 933 CE1 HIS A 63 -7.010 -5.250 3.187 1.00 0.00 C ATOM 934 NE2 HIS A 63 -6.550 -5.942 4.244 1.00 0.00 N ATOM 0 H HIS A 63 -10.790 -2.689 7.188 1.00 0.00 H new ATOM 0 HA HIS A 63 -10.584 -3.473 4.437 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -8.699 -2.499 5.664 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -8.758 -3.786 6.852 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -8.349 -3.638 2.969 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.073 -5.740 6.386 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -6.722 -5.432 2.162 1.00 0.00 H new ATOM 942 N CYS A 64 -10.663 -5.988 4.453 1.00 0.00 N ATOM 943 CA CYS A 64 -10.726 -7.437 4.391 1.00 0.00 C ATOM 944 C CYS A 64 -9.553 -7.872 3.512 1.00 0.00 C ATOM 945 O CYS A 64 -9.522 -7.551 2.320 1.00 0.00 O ATOM 946 CB CYS A 64 -12.073 -7.877 3.799 1.00 0.00 C ATOM 947 SG CYS A 64 -13.448 -7.454 4.910 1.00 0.00 S ATOM 0 H CYS A 64 -10.559 -5.548 3.538 1.00 0.00 H new ATOM 0 HA CYS A 64 -10.655 -7.896 5.377 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.222 -7.397 2.832 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -12.062 -8.953 3.623 1.00 0.00 H new ATOM 0 HG CYS A 64 -12.996 -6.770 5.919 1.00 0.00 H new ATOM 953 N ALA A 65 -8.576 -8.558 4.112 1.00 0.00 N ATOM 954 CA ALA A 65 -7.400 -9.041 3.399 1.00 0.00 C ATOM 955 C ALA A 65 -7.804 -10.083 2.354 1.00 0.00 C ATOM 956 O ALA A 65 -8.842 -10.737 2.492 1.00 0.00 O ATOM 957 CB ALA A 65 -6.403 -9.602 4.415 1.00 0.00 C ATOM 0 H ALA A 65 -8.582 -8.792 5.105 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.921 -8.222 2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.518 -9.967 3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.114 -8.816 5.113 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.865 -10.423 4.963 1.00 0.00 H new ATOM 963 N ARG A 66 -6.991 -10.237 1.309 1.00 0.00 N ATOM 964 CA ARG A 66 -7.328 -11.043 0.132 1.00 0.00 C ATOM 965 C ARG A 66 -6.074 -11.194 -0.717 1.00 0.00 C ATOM 966 O ARG A 66 -5.251 -10.276 -0.763 1.00 0.00 O ATOM 967 CB ARG A 66 -8.471 -10.387 -0.679 1.00 0.00 C ATOM 968 CG ARG A 66 -8.142 -8.968 -1.170 1.00 0.00 C ATOM 969 CD ARG A 66 -9.356 -8.279 -1.797 1.00 0.00 C ATOM 970 NE ARG A 66 -8.965 -6.935 -2.232 1.00 0.00 N ATOM 971 CZ ARG A 66 -9.751 -5.953 -2.672 1.00 0.00 C ATOM 972 NH1 ARG A 66 -11.068 -6.074 -2.783 1.00 0.00 N ATOM 973 NH2 ARG A 66 -9.193 -4.803 -3.005 1.00 0.00 N ATOM 0 H ARG A 66 -6.070 -9.802 1.254 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.682 -12.025 0.445 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.702 -11.016 -1.539 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.368 -10.350 -0.061 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.779 -8.371 -0.334 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.335 -9.016 -1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.722 -8.858 -2.645 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.171 -8.220 -1.075 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.968 -6.725 -2.193 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.523 -6.950 -2.526 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.625 -5.291 -3.126 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.183 -4.683 -2.922 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.772 -4.035 -3.345 1.00 0.00 H new ATOM 987 N GLN A 67 -5.916 -12.333 -1.390 1.00 0.00 N ATOM 988 CA GLN A 67 -4.775 -12.522 -2.270 1.00 0.00 C ATOM 989 C GLN A 67 -4.992 -11.730 -3.552 1.00 0.00 C ATOM 990 O GLN A 67 -6.111 -11.616 -4.059 1.00 0.00 O ATOM 991 CB GLN A 67 -4.493 -14.014 -2.521 1.00 0.00 C ATOM 992 CG GLN A 67 -3.005 -14.217 -2.867 1.00 0.00 C ATOM 993 CD GLN A 67 -2.608 -15.661 -3.176 1.00 0.00 C ATOM 994 OE1 GLN A 67 -3.435 -16.548 -3.378 1.00 0.00 O ATOM 995 NE2 GLN A 67 -1.313 -15.926 -3.227 1.00 0.00 N ATOM 0 H GLN A 67 -6.556 -13.126 -1.341 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.877 -12.137 -1.788 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.752 -14.596 -1.636 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.118 -14.379 -3.336 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.759 -13.596 -3.728 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.401 -13.860 -2.033 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.634 -15.184 -3.058 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.994 -16.872 -3.435 1.00 0.00 H new ATOM 1004 N ILE A 68 -3.888 -11.188 -4.058 1.00 0.00 N ATOM 1005 CA ILE A 68 -3.845 -10.581 -5.372 1.00 0.00 C ATOM 1006 C ILE A 68 -4.243 -11.633 -6.417 1.00 0.00 C ATOM 1007 O ILE A 68 -3.965 -12.825 -6.261 1.00 0.00 O ATOM 1008 CB ILE A 68 -2.444 -9.962 -5.595 1.00 0.00 C ATOM 1009 CG1 ILE A 68 -2.353 -9.062 -6.843 1.00 0.00 C ATOM 1010 CG2 ILE A 68 -1.319 -11.007 -5.668 1.00 0.00 C ATOM 1011 CD1 ILE A 68 -3.379 -7.927 -6.847 1.00 0.00 C ATOM 0 H ILE A 68 -2.998 -11.161 -3.561 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.560 -9.764 -5.468 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.302 -9.345 -4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.351 -8.637 -6.904 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.494 -9.673 -7.734 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.365 -10.504 -5.825 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.283 -11.569 -4.735 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.510 -11.690 -6.496 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.260 -7.332 -7.753 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.385 -8.346 -6.817 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.224 -7.293 -5.974 1.00 0.00 H new ATOM 1023 N SER A 69 -4.864 -11.171 -7.494 1.00 0.00 N ATOM 1024 CA SER A 69 -5.126 -11.978 -8.677 1.00 0.00 C ATOM 1025 C SER A 69 -4.889 -11.095 -9.902 1.00 0.00 C ATOM 1026 O SER A 69 -4.858 -9.865 -9.789 1.00 0.00 O ATOM 1027 CB SER A 69 -6.558 -12.529 -8.621 1.00 0.00 C ATOM 1028 OG SER A 69 -7.517 -11.494 -8.761 1.00 0.00 O ATOM 0 H SER A 69 -5.204 -10.212 -7.571 1.00 0.00 H new ATOM 0 HA SER A 69 -4.460 -12.839 -8.730 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.697 -13.265 -9.412 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.714 -13.046 -7.674 1.00 0.00 H new ATOM 0 HG SER A 69 -8.419 -11.876 -8.723 1.00 0.00 H new ATOM 1034 N ARG A 70 -4.720 -11.693 -11.084 1.00 0.00 N ATOM 1035 CA ARG A 70 -4.554 -10.919 -12.316 1.00 0.00 C ATOM 1036 C ARG A 70 -5.827 -10.126 -12.629 1.00 0.00 C ATOM 1037 O ARG A 70 -5.736 -8.998 -13.113 1.00 0.00 O ATOM 1038 CB ARG A 70 -4.124 -11.866 -13.448 1.00 0.00 C ATOM 1039 CG ARG A 70 -3.717 -11.137 -14.737 1.00 0.00 C ATOM 1040 CD ARG A 70 -3.044 -12.133 -15.689 1.00 0.00 C ATOM 1041 NE ARG A 70 -2.731 -11.524 -16.990 1.00 0.00 N ATOM 1042 CZ ARG A 70 -1.929 -12.034 -17.928 1.00 0.00 C ATOM 1043 NH1 ARG A 70 -1.232 -13.148 -17.718 1.00 0.00 N ATOM 1044 NH2 ARG A 70 -1.846 -11.390 -19.083 1.00 0.00 N ATOM 0 H ARG A 70 -4.695 -12.704 -11.214 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.766 -10.175 -12.198 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.287 -12.473 -13.104 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.944 -12.549 -13.670 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.594 -10.697 -15.212 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.035 -10.319 -14.506 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.127 -12.507 -15.234 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.699 -12.991 -15.838 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.168 -10.626 -17.196 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.303 -13.633 -16.824 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.626 -13.517 -18.451 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.384 -10.536 -19.231 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.244 -11.748 -19.824 1.00 0.00 H new ATOM 1058 N ARG A 71 -7.007 -10.668 -12.300 1.00 0.00 N ATOM 1059 CA ARG A 71 -8.269 -9.934 -12.418 1.00 0.00 C ATOM 1060 C ARG A 71 -8.238 -8.689 -11.538 1.00 0.00 C ATOM 1061 O ARG A 71 -8.553 -7.602 -12.028 1.00 0.00 O ATOM 1062 CB ARG A 71 -9.466 -10.832 -12.048 1.00 0.00 C ATOM 1063 CG ARG A 71 -9.621 -12.102 -12.903 1.00 0.00 C ATOM 1064 CD ARG A 71 -9.834 -11.807 -14.394 1.00 0.00 C ATOM 1065 NE ARG A 71 -10.035 -13.048 -15.165 1.00 0.00 N ATOM 1066 CZ ARG A 71 -10.343 -13.120 -16.467 1.00 0.00 C ATOM 1067 NH1 ARG A 71 -10.511 -12.014 -17.189 1.00 0.00 N ATOM 1068 NH2 ARG A 71 -10.483 -14.308 -17.045 1.00 0.00 N ATOM 0 H ARG A 71 -7.111 -11.620 -11.948 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.391 -9.625 -13.456 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.370 -11.126 -11.003 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.380 -10.244 -12.130 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.732 -12.722 -12.786 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -10.465 -12.682 -12.530 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.699 -11.156 -14.518 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.971 -11.269 -14.787 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.930 -13.930 -14.663 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.405 -11.099 -16.752 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.745 -12.082 -18.179 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.356 -15.159 -16.498 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.717 -14.369 -18.036 1.00 0.00 H new ATOM 1082 N LEU A 72 -7.816 -8.814 -10.272 1.00 0.00 N ATOM 1083 CA LEU A 72 -7.645 -7.652 -9.411 1.00 0.00 C ATOM 1084 C LEU A 72 -6.660 -6.684 -10.041 1.00 0.00 C ATOM 1085 O LEU A 72 -6.973 -5.504 -10.105 1.00 0.00 O ATOM 1086 CB LEU A 72 -7.157 -8.027 -8.003 1.00 0.00 C ATOM 1087 CG LEU A 72 -8.280 -7.992 -6.959 1.00 0.00 C ATOM 1088 CD1 LEU A 72 -9.328 -9.092 -7.158 1.00 0.00 C ATOM 1089 CD2 LEU A 72 -7.691 -8.102 -5.548 1.00 0.00 C ATOM 0 H LEU A 72 -7.590 -9.705 -9.830 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.625 -7.186 -9.307 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.721 -9.026 -8.028 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.365 -7.341 -7.702 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.789 -7.037 -7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.093 -9.010 -6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.789 -8.982 -8.139 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.848 -10.068 -7.090 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.497 -8.076 -4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.145 -9.040 -5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.012 -7.268 -5.371 1.00 0.00 H new ATOM 1101 N CYS A 73 -5.510 -7.154 -10.530 1.00 0.00 N ATOM 1102 CA CYS A 73 -4.508 -6.273 -11.118 1.00 0.00 C ATOM 1103 C CYS A 73 -5.121 -5.411 -12.227 1.00 0.00 C ATOM 1104 O CYS A 73 -4.941 -4.196 -12.220 1.00 0.00 O ATOM 1105 CB CYS A 73 -3.326 -7.084 -11.661 1.00 0.00 C ATOM 1106 SG CYS A 73 -2.423 -7.893 -10.316 1.00 0.00 S ATOM 0 H CYS A 73 -5.253 -8.141 -10.529 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.141 -5.610 -10.335 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.687 -7.834 -12.364 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.653 -6.428 -12.213 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.158 -8.836 -9.805 1.00 0.00 H new ATOM 1112 N ARG A 74 -5.888 -6.019 -13.141 1.00 0.00 N ATOM 1113 CA ARG A 74 -6.538 -5.293 -14.235 1.00 0.00 C ATOM 1114 C ARG A 74 -7.582 -4.285 -13.743 1.00 0.00 C ATOM 1115 O ARG A 74 -7.849 -3.315 -14.454 1.00 0.00 O ATOM 1116 CB ARG A 74 -7.184 -6.299 -15.204 1.00 0.00 C ATOM 1117 CG ARG A 74 -6.146 -7.017 -16.084 1.00 0.00 C ATOM 1118 CD ARG A 74 -6.758 -8.163 -16.904 1.00 0.00 C ATOM 1119 NE ARG A 74 -7.927 -7.744 -17.702 1.00 0.00 N ATOM 1120 CZ ARG A 74 -7.910 -7.134 -18.895 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -6.768 -6.827 -19.503 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -9.062 -6.823 -19.485 1.00 0.00 N ATOM 0 H ARG A 74 -6.074 -7.022 -13.142 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.768 -4.717 -14.748 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.746 -7.038 -14.634 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.898 -5.778 -15.842 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.688 -6.296 -16.760 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.350 -7.412 -15.452 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.998 -8.571 -17.570 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.055 -8.966 -16.230 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.845 -7.940 -17.303 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.878 -7.056 -19.061 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.782 -6.363 -20.411 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.946 -7.049 -19.029 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.061 -6.359 -20.393 1.00 0.00 H new ATOM 1136 N ASN A 75 -8.189 -4.491 -12.568 1.00 0.00 N ATOM 1137 CA ASN A 75 -9.197 -3.578 -12.021 1.00 0.00 C ATOM 1138 C ASN A 75 -8.620 -2.204 -11.636 1.00 0.00 C ATOM 1139 O ASN A 75 -9.383 -1.240 -11.515 1.00 0.00 O ATOM 1140 CB ASN A 75 -9.905 -4.216 -10.816 1.00 0.00 C ATOM 1141 CG ASN A 75 -11.073 -3.357 -10.337 1.00 0.00 C ATOM 1142 OD1 ASN A 75 -12.119 -3.306 -10.976 1.00 0.00 O ATOM 1143 ND2 ASN A 75 -10.934 -2.679 -9.209 1.00 0.00 N ATOM 0 H ASN A 75 -7.995 -5.295 -11.971 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.921 -3.403 -12.817 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -10.268 -5.207 -11.088 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.192 -4.350 -10.002 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.702 -2.105 -8.861 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.059 -2.730 -8.688 1.00 0.00 H new ATOM 1150 N TYR A 76 -7.300 -2.087 -11.457 1.00 0.00 N ATOM 1151 CA TYR A 76 -6.654 -0.823 -11.088 1.00 0.00 C ATOM 1152 C TYR A 76 -5.603 -0.446 -12.142 1.00 0.00 C ATOM 1153 O TYR A 76 -5.330 -1.230 -13.052 1.00 0.00 O ATOM 1154 CB TYR A 76 -6.087 -0.902 -9.655 1.00 0.00 C ATOM 1155 CG TYR A 76 -7.060 -1.433 -8.605 1.00 0.00 C ATOM 1156 CD1 TYR A 76 -7.212 -2.820 -8.471 1.00 0.00 C ATOM 1157 CD2 TYR A 76 -7.809 -0.584 -7.768 1.00 0.00 C ATOM 1158 CE1 TYR A 76 -8.114 -3.373 -7.548 1.00 0.00 C ATOM 1159 CE2 TYR A 76 -8.708 -1.120 -6.828 1.00 0.00 C ATOM 1160 CZ TYR A 76 -8.863 -2.519 -6.711 1.00 0.00 C ATOM 1161 OH TYR A 76 -9.759 -3.037 -5.828 1.00 0.00 O ATOM 0 H TYR A 76 -6.650 -2.866 -11.564 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.390 -0.019 -11.077 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.203 -1.539 -9.665 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.759 0.093 -9.355 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.622 -3.478 -9.092 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.693 0.487 -7.848 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.234 -4.444 -7.479 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.281 -0.460 -6.194 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.460 -3.925 -5.542 1.00 0.00 H new ATOM 1171 N ASP A 77 -5.034 0.763 -12.053 1.00 0.00 N ATOM 1172 CA ASP A 77 -4.183 1.313 -13.123 1.00 0.00 C ATOM 1173 C ASP A 77 -2.827 1.805 -12.602 1.00 0.00 C ATOM 1174 O ASP A 77 -2.012 2.337 -13.355 1.00 0.00 O ATOM 1175 CB ASP A 77 -4.946 2.416 -13.870 1.00 0.00 C ATOM 1176 CG ASP A 77 -4.255 2.812 -15.188 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -3.903 1.911 -15.985 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -4.140 4.026 -15.471 1.00 0.00 O ATOM 0 H ASP A 77 -5.146 1.382 -11.250 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.953 0.509 -13.822 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.959 2.075 -14.081 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.032 3.294 -13.229 1.00 0.00 H new ATOM 1183 N LEU A 78 -2.558 1.589 -11.313 1.00 0.00 N ATOM 1184 CA LEU A 78 -1.280 1.827 -10.657 1.00 0.00 C ATOM 1185 C LEU A 78 -1.223 0.788 -9.546 1.00 0.00 C ATOM 1186 O LEU A 78 -2.214 0.624 -8.826 1.00 0.00 O ATOM 1187 CB LEU A 78 -1.260 3.260 -10.086 1.00 0.00 C ATOM 1188 CG LEU A 78 0.112 3.935 -9.916 1.00 0.00 C ATOM 1189 CD1 LEU A 78 1.057 3.183 -8.978 1.00 0.00 C ATOM 1190 CD2 LEU A 78 0.791 4.186 -11.267 1.00 0.00 C ATOM 0 H LEU A 78 -3.263 1.226 -10.671 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.425 1.741 -11.328 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.867 3.890 -10.736 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.749 3.241 -9.112 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.100 4.894 -9.443 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.003 3.719 -8.908 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.607 3.112 -7.988 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.236 2.181 -9.368 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.757 4.664 -11.105 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.937 3.237 -11.783 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.162 4.836 -11.875 1.00 0.00 H new ATOM 1202 N ILE A 79 -0.107 0.078 -9.404 1.00 0.00 N ATOM 1203 CA ILE A 79 0.052 -0.928 -8.363 1.00 0.00 C ATOM 1204 C ILE A 79 1.245 -0.472 -7.523 1.00 0.00 C ATOM 1205 O ILE A 79 2.247 0.004 -8.058 1.00 0.00 O ATOM 1206 CB ILE A 79 0.226 -2.346 -8.963 1.00 0.00 C ATOM 1207 CG1 ILE A 79 -0.806 -2.731 -10.052 1.00 0.00 C ATOM 1208 CG2 ILE A 79 0.229 -3.403 -7.845 1.00 0.00 C ATOM 1209 CD1 ILE A 79 -2.259 -2.872 -9.578 1.00 0.00 C ATOM 0 H ILE A 79 0.709 0.185 -10.006 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.836 -1.012 -7.737 1.00 0.00 H new ATOM 0 HB ILE A 79 1.189 -2.321 -9.473 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.772 -1.978 -10.839 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.497 -3.675 -10.500 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.352 -4.394 -8.282 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.052 -3.204 -7.159 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.715 -3.361 -7.302 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.892 -3.143 -10.422 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.319 -3.648 -8.815 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.599 -1.925 -9.159 1.00 0.00 H new ATOM 1221 N LEU A 80 1.145 -0.611 -6.207 1.00 0.00 N ATOM 1222 CA LEU A 80 2.138 -0.138 -5.255 1.00 0.00 C ATOM 1223 C LEU A 80 2.579 -1.334 -4.432 1.00 0.00 C ATOM 1224 O LEU A 80 1.734 -2.117 -3.993 1.00 0.00 O ATOM 1225 CB LEU A 80 1.532 0.951 -4.353 1.00 0.00 C ATOM 1226 CG LEU A 80 1.193 2.260 -5.090 1.00 0.00 C ATOM 1227 CD1 LEU A 80 0.388 3.185 -4.173 1.00 0.00 C ATOM 1228 CD2 LEU A 80 2.440 2.974 -5.616 1.00 0.00 C ATOM 0 H LEU A 80 0.349 -1.068 -5.762 1.00 0.00 H new ATOM 0 HA LEU A 80 2.992 0.302 -5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.625 0.562 -3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.232 1.171 -3.547 1.00 0.00 H new ATOM 0 HG LEU A 80 0.590 1.999 -5.959 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.153 4.108 -4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.537 2.690 -3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.975 3.416 -3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.146 3.891 -6.127 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.098 3.219 -4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.965 2.322 -6.314 1.00 0.00 H new ATOM 1240 N THR A 81 3.882 -1.468 -4.202 1.00 0.00 N ATOM 1241 CA THR A 81 4.442 -2.576 -3.440 1.00 0.00 C ATOM 1242 C THR A 81 5.271 -1.992 -2.295 1.00 0.00 C ATOM 1243 O THR A 81 5.552 -0.790 -2.290 1.00 0.00 O ATOM 1244 CB THR A 81 5.297 -3.469 -4.353 1.00 0.00 C ATOM 1245 OG1 THR A 81 6.560 -2.882 -4.595 1.00 0.00 O ATOM 1246 CG2 THR A 81 4.655 -3.761 -5.712 1.00 0.00 C ATOM 0 H THR A 81 4.581 -0.807 -4.541 1.00 0.00 H new ATOM 0 HA THR A 81 3.648 -3.200 -3.030 1.00 0.00 H new ATOM 0 HB THR A 81 5.393 -4.409 -3.810 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.266 -3.485 -4.283 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.318 -4.397 -6.299 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.703 -4.270 -5.563 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.486 -2.824 -6.243 1.00 0.00 H new ATOM 1254 N MET A 82 5.728 -2.807 -1.341 1.00 0.00 N ATOM 1255 CA MET A 82 6.574 -2.323 -0.253 1.00 0.00 C ATOM 1256 C MET A 82 8.048 -2.632 -0.502 1.00 0.00 C ATOM 1257 O MET A 82 8.903 -1.980 0.094 1.00 0.00 O ATOM 1258 CB MET A 82 6.111 -2.979 1.055 1.00 0.00 C ATOM 1259 CG MET A 82 4.686 -2.559 1.418 1.00 0.00 C ATOM 1260 SD MET A 82 4.453 -0.773 1.604 1.00 0.00 S ATOM 1261 CE MET A 82 2.658 -0.673 1.423 1.00 0.00 C ATOM 0 H MET A 82 5.525 -3.806 -1.302 1.00 0.00 H new ATOM 0 HA MET A 82 6.478 -1.239 -0.190 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.158 -4.063 0.956 1.00 0.00 H new ATOM 0 HB3 MET A 82 6.790 -2.703 1.862 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.006 -2.923 0.648 1.00 0.00 H new ATOM 0 HG3 MET A 82 4.403 -3.048 2.350 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.352 0.373 1.405 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.359 -1.155 0.492 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.179 -1.177 2.263 1.00 0.00 H new ATOM 1271 N GLU A 83 8.361 -3.610 -1.358 1.00 0.00 N ATOM 1272 CA GLU A 83 9.723 -4.092 -1.557 1.00 0.00 C ATOM 1273 C GLU A 83 9.954 -4.330 -3.047 1.00 0.00 C ATOM 1274 O GLU A 83 9.018 -4.663 -3.779 1.00 0.00 O ATOM 1275 CB GLU A 83 9.925 -5.397 -0.765 1.00 0.00 C ATOM 1276 CG GLU A 83 9.915 -5.196 0.757 1.00 0.00 C ATOM 1277 CD GLU A 83 9.921 -6.537 1.502 1.00 0.00 C ATOM 1278 OE1 GLU A 83 10.980 -7.203 1.568 1.00 0.00 O ATOM 1279 OE2 GLU A 83 8.859 -6.904 2.052 1.00 0.00 O ATOM 0 H GLU A 83 7.669 -4.090 -1.934 1.00 0.00 H new ATOM 0 HA GLU A 83 10.439 -3.352 -1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.140 -6.103 -1.036 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.873 -5.848 -1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.785 -4.610 1.053 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.033 -4.623 1.044 1.00 0.00 H new ATOM 1286 N LYS A 84 11.207 -4.215 -3.501 1.00 0.00 N ATOM 1287 CA LYS A 84 11.544 -4.419 -4.912 1.00 0.00 C ATOM 1288 C LYS A 84 11.241 -5.851 -5.354 1.00 0.00 C ATOM 1289 O LYS A 84 10.729 -6.057 -6.452 1.00 0.00 O ATOM 1290 CB LYS A 84 13.010 -4.039 -5.195 1.00 0.00 C ATOM 1291 CG LYS A 84 13.305 -2.541 -4.968 1.00 0.00 C ATOM 1292 CD LYS A 84 14.097 -2.247 -3.681 1.00 0.00 C ATOM 1293 CE LYS A 84 14.202 -0.726 -3.492 1.00 0.00 C ATOM 1294 NZ LYS A 84 15.188 -0.320 -2.461 1.00 0.00 N ATOM 0 H LYS A 84 12.005 -3.981 -2.910 1.00 0.00 H new ATOM 0 HA LYS A 84 10.913 -3.755 -5.503 1.00 0.00 H new ATOM 0 HB2 LYS A 84 13.662 -4.632 -4.554 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.253 -4.298 -6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.864 -2.158 -5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.361 -1.996 -4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.601 -2.699 -2.822 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.092 -2.688 -3.743 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.475 -0.269 -4.443 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.222 -0.334 -3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.122 0.706 -2.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.987 -0.821 -1.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.147 -0.559 -2.785 1.00 0.00 H new ATOM 1308 N ARG A 85 11.463 -6.848 -4.488 1.00 0.00 N ATOM 1309 CA ARG A 85 11.108 -8.236 -4.799 1.00 0.00 C ATOM 1310 C ARG A 85 9.606 -8.410 -5.042 1.00 0.00 C ATOM 1311 O ARG A 85 9.222 -9.261 -5.840 1.00 0.00 O ATOM 1312 CB ARG A 85 11.657 -9.205 -3.733 1.00 0.00 C ATOM 1313 CG ARG A 85 11.006 -9.076 -2.342 1.00 0.00 C ATOM 1314 CD ARG A 85 11.709 -9.935 -1.282 1.00 0.00 C ATOM 1315 NE ARG A 85 11.596 -11.381 -1.554 1.00 0.00 N ATOM 1316 CZ ARG A 85 12.151 -12.354 -0.815 1.00 0.00 C ATOM 1317 NH1 ARG A 85 12.865 -12.059 0.269 1.00 0.00 N ATOM 1318 NH2 ARG A 85 11.989 -13.624 -1.169 1.00 0.00 N ATOM 0 H ARG A 85 11.886 -6.718 -3.569 1.00 0.00 H new ATOM 0 HA ARG A 85 11.592 -8.495 -5.741 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.522 -10.227 -4.088 1.00 0.00 H new ATOM 0 HB3 ARG A 85 12.730 -9.042 -3.633 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.026 -8.032 -2.030 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.958 -9.369 -2.406 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.763 -9.659 -1.237 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.281 -9.719 -0.303 1.00 0.00 H new ATOM 0 HE ARG A 85 11.052 -11.664 -2.369 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.995 -11.086 0.545 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.283 -12.806 0.824 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.445 -13.856 -2.000 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.409 -14.367 -0.610 1.00 0.00 H new ATOM 1332 N HIS A 86 8.748 -7.607 -4.402 1.00 0.00 N ATOM 1333 CA HIS A 86 7.313 -7.674 -4.657 1.00 0.00 C ATOM 1334 C HIS A 86 7.017 -7.151 -6.066 1.00 0.00 C ATOM 1335 O HIS A 86 6.144 -7.706 -6.724 1.00 0.00 O ATOM 1336 CB HIS A 86 6.508 -6.858 -3.635 1.00 0.00 C ATOM 1337 CG HIS A 86 6.493 -7.324 -2.199 1.00 0.00 C ATOM 1338 ND1 HIS A 86 7.263 -8.304 -1.616 1.00 0.00 N ATOM 1339 CD2 HIS A 86 5.705 -6.797 -1.211 1.00 0.00 C ATOM 1340 CE1 HIS A 86 6.956 -8.346 -0.308 1.00 0.00 C ATOM 1341 NE2 HIS A 86 5.992 -7.452 -0.007 1.00 0.00 N ATOM 0 H HIS A 86 9.024 -6.910 -3.710 1.00 0.00 H new ATOM 0 HA HIS A 86 7.011 -8.717 -4.567 1.00 0.00 H new ATOM 0 HB2 HIS A 86 6.890 -5.837 -3.649 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.475 -6.817 -3.982 1.00 0.00 H new ATOM 0 HD1 HIS A 86 7.946 -8.894 -2.092 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.981 -6.006 -1.339 1.00 0.00 H new ATOM 0 HE1 HIS A 86 7.420 -9.008 0.408 1.00 0.00 H new ATOM 1349 N ILE A 87 7.741 -6.126 -6.547 1.00 0.00 N ATOM 1350 CA ILE A 87 7.577 -5.610 -7.912 1.00 0.00 C ATOM 1351 C ILE A 87 7.853 -6.752 -8.888 1.00 0.00 C ATOM 1352 O ILE A 87 7.070 -6.968 -9.812 1.00 0.00 O ATOM 1353 CB ILE A 87 8.514 -4.401 -8.198 1.00 0.00 C ATOM 1354 CG1 ILE A 87 8.389 -3.302 -7.123 1.00 0.00 C ATOM 1355 CG2 ILE A 87 8.242 -3.785 -9.582 1.00 0.00 C ATOM 1356 CD1 ILE A 87 9.347 -2.121 -7.304 1.00 0.00 C ATOM 0 H ILE A 87 8.451 -5.636 -6.003 1.00 0.00 H new ATOM 0 HA ILE A 87 6.558 -5.243 -8.034 1.00 0.00 H new ATOM 0 HB ILE A 87 9.529 -4.797 -8.176 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.366 -2.926 -7.124 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.564 -3.748 -6.144 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.916 -2.944 -9.745 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.407 -4.537 -10.354 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.210 -3.437 -9.629 1.00 0.00 H new ATOM 0 HD11 ILE A 87 9.189 -1.398 -6.504 1.00 0.00 H new ATOM 0 HD12 ILE A 87 10.376 -2.479 -7.271 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.159 -1.644 -8.266 1.00 0.00 H new ATOM 1368 N GLU A 88 8.935 -7.505 -8.665 1.00 0.00 N ATOM 1369 CA GLU A 88 9.317 -8.596 -9.558 1.00 0.00 C ATOM 1370 C GLU A 88 8.222 -9.669 -9.585 1.00 0.00 C ATOM 1371 O GLU A 88 7.813 -10.108 -10.662 1.00 0.00 O ATOM 1372 CB GLU A 88 10.669 -9.194 -9.141 1.00 0.00 C ATOM 1373 CG GLU A 88 11.825 -8.199 -9.311 1.00 0.00 C ATOM 1374 CD GLU A 88 13.182 -8.850 -8.985 1.00 0.00 C ATOM 1375 OE1 GLU A 88 13.580 -8.883 -7.799 1.00 0.00 O ATOM 1376 OE2 GLU A 88 13.874 -9.323 -9.916 1.00 0.00 O ATOM 0 H GLU A 88 9.561 -7.376 -7.870 1.00 0.00 H new ATOM 0 HA GLU A 88 9.428 -8.197 -10.566 1.00 0.00 H new ATOM 0 HB2 GLU A 88 10.617 -9.512 -8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.869 -10.085 -9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.836 -7.824 -10.335 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.666 -7.340 -8.659 1.00 0.00 H new ATOM 1383 N ARG A 89 7.700 -10.056 -8.413 1.00 0.00 N ATOM 1384 CA ARG A 89 6.620 -11.039 -8.336 1.00 0.00 C ATOM 1385 C ARG A 89 5.357 -10.523 -9.022 1.00 0.00 C ATOM 1386 O ARG A 89 4.725 -11.284 -9.752 1.00 0.00 O ATOM 1387 CB ARG A 89 6.334 -11.423 -6.876 1.00 0.00 C ATOM 1388 CG ARG A 89 7.487 -12.231 -6.255 1.00 0.00 C ATOM 1389 CD ARG A 89 7.200 -12.657 -4.808 1.00 0.00 C ATOM 1390 NE ARG A 89 6.075 -13.609 -4.717 1.00 0.00 N ATOM 1391 CZ ARG A 89 5.458 -13.996 -3.592 1.00 0.00 C ATOM 1392 NH1 ARG A 89 5.829 -13.506 -2.410 1.00 0.00 N ATOM 1393 NH2 ARG A 89 4.459 -14.871 -3.656 1.00 0.00 N ATOM 0 H ARG A 89 8.010 -9.702 -7.508 1.00 0.00 H new ATOM 0 HA ARG A 89 6.944 -11.935 -8.865 1.00 0.00 H new ATOM 0 HB2 ARG A 89 6.168 -10.519 -6.290 1.00 0.00 H new ATOM 0 HB3 ARG A 89 5.415 -12.007 -6.828 1.00 0.00 H new ATOM 0 HG2 ARG A 89 7.671 -13.118 -6.861 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.398 -11.634 -6.280 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.094 -13.112 -4.382 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.975 -11.774 -4.209 1.00 0.00 H new ATOM 0 HE ARG A 89 5.736 -14.009 -5.592 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.590 -12.829 -2.355 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.352 -13.808 -1.560 1.00 0.00 H new ATOM 0 HH21 ARG A 89 4.165 -15.245 -4.559 1.00 0.00 H new ATOM 0 HH22 ARG A 89 3.986 -15.169 -2.803 1.00 0.00 H new ATOM 1407 N LEU A 90 4.999 -9.249 -8.831 1.00 0.00 N ATOM 1408 CA LEU A 90 3.824 -8.641 -9.453 1.00 0.00 C ATOM 1409 C LEU A 90 3.970 -8.690 -10.978 1.00 0.00 C ATOM 1410 O LEU A 90 3.045 -9.113 -11.668 1.00 0.00 O ATOM 1411 CB LEU A 90 3.659 -7.187 -8.963 1.00 0.00 C ATOM 1412 CG LEU A 90 2.221 -6.634 -8.892 1.00 0.00 C ATOM 1413 CD1 LEU A 90 1.408 -6.814 -10.175 1.00 0.00 C ATOM 1414 CD2 LEU A 90 1.471 -7.217 -7.688 1.00 0.00 C ATOM 0 H LEU A 90 5.523 -8.608 -8.235 1.00 0.00 H new ATOM 0 HA LEU A 90 2.931 -9.198 -9.169 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.101 -7.112 -7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.240 -6.540 -9.620 1.00 0.00 H new ATOM 0 HG LEU A 90 2.332 -5.557 -8.766 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.411 -6.397 -10.035 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.905 -6.298 -10.996 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.328 -7.876 -10.409 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.459 -6.812 -7.659 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.425 -8.302 -7.779 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.995 -6.951 -6.770 1.00 0.00 H new ATOM 1426 N CYS A 91 5.143 -8.314 -11.503 1.00 0.00 N ATOM 1427 CA CYS A 91 5.403 -8.353 -12.938 1.00 0.00 C ATOM 1428 C CYS A 91 5.258 -9.782 -13.475 1.00 0.00 C ATOM 1429 O CYS A 91 4.760 -9.966 -14.581 1.00 0.00 O ATOM 1430 CB CYS A 91 6.812 -7.837 -13.261 1.00 0.00 C ATOM 1431 SG CYS A 91 6.980 -6.079 -12.850 1.00 0.00 S ATOM 0 H CYS A 91 5.929 -7.978 -10.946 1.00 0.00 H new ATOM 0 HA CYS A 91 4.669 -7.706 -13.419 1.00 0.00 H new ATOM 0 HB2 CYS A 91 7.550 -8.415 -12.704 1.00 0.00 H new ATOM 0 HB3 CYS A 91 7.023 -7.987 -14.320 1.00 0.00 H new ATOM 0 HG CYS A 91 7.080 -5.942 -11.561 1.00 0.00 H new ATOM 1437 N GLU A 92 5.691 -10.792 -12.714 1.00 0.00 N ATOM 1438 CA GLU A 92 5.596 -12.183 -13.131 1.00 0.00 C ATOM 1439 C GLU A 92 4.129 -12.631 -13.213 1.00 0.00 C ATOM 1440 O GLU A 92 3.739 -13.254 -14.204 1.00 0.00 O ATOM 1441 CB GLU A 92 6.423 -13.063 -12.178 1.00 0.00 C ATOM 1442 CG GLU A 92 6.521 -14.514 -12.667 1.00 0.00 C ATOM 1443 CD GLU A 92 7.435 -15.356 -11.760 1.00 0.00 C ATOM 1444 OE1 GLU A 92 6.943 -15.953 -10.775 1.00 0.00 O ATOM 1445 OE2 GLU A 92 8.653 -15.456 -12.035 1.00 0.00 O ATOM 0 H GLU A 92 6.115 -10.663 -11.795 1.00 0.00 H new ATOM 0 HA GLU A 92 6.010 -12.291 -14.133 1.00 0.00 H new ATOM 0 HB2 GLU A 92 7.425 -12.646 -12.079 1.00 0.00 H new ATOM 0 HB3 GLU A 92 5.971 -13.045 -11.186 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.526 -14.958 -12.694 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.905 -14.530 -13.687 1.00 0.00 H new ATOM 1452 N MET A 93 3.308 -12.316 -12.201 1.00 0.00 N ATOM 1453 CA MET A 93 1.933 -12.820 -12.132 1.00 0.00 C ATOM 1454 C MET A 93 0.931 -11.974 -12.934 1.00 0.00 C ATOM 1455 O MET A 93 -0.108 -12.501 -13.338 1.00 0.00 O ATOM 1456 CB MET A 93 1.507 -13.058 -10.671 1.00 0.00 C ATOM 1457 CG MET A 93 1.429 -11.824 -9.758 1.00 0.00 C ATOM 1458 SD MET A 93 0.048 -10.673 -9.986 1.00 0.00 S ATOM 1459 CE MET A 93 -1.368 -11.762 -9.700 1.00 0.00 C ATOM 0 H MET A 93 3.574 -11.715 -11.421 1.00 0.00 H new ATOM 0 HA MET A 93 1.921 -13.790 -12.630 1.00 0.00 H new ATOM 0 HB2 MET A 93 0.528 -13.537 -10.677 1.00 0.00 H new ATOM 0 HB3 MET A 93 2.206 -13.766 -10.225 1.00 0.00 H new ATOM 0 HG2 MET A 93 1.403 -12.175 -8.726 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.355 -11.261 -9.880 1.00 0.00 H new ATOM 0 HE1 MET A 93 -2.205 -11.178 -9.317 1.00 0.00 H new ATOM 0 HE2 MET A 93 -1.656 -12.238 -10.637 1.00 0.00 H new ATOM 0 HE3 MET A 93 -1.097 -12.528 -8.973 1.00 0.00 H new ATOM 1469 N ALA A 94 1.249 -10.707 -13.221 1.00 0.00 N ATOM 1470 CA ALA A 94 0.413 -9.828 -14.034 1.00 0.00 C ATOM 1471 C ALA A 94 1.315 -8.939 -14.905 1.00 0.00 C ATOM 1472 O ALA A 94 1.490 -7.755 -14.600 1.00 0.00 O ATOM 1473 CB ALA A 94 -0.533 -9.012 -13.140 1.00 0.00 C ATOM 0 H ALA A 94 2.105 -10.262 -12.890 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.218 -10.418 -14.699 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.149 -8.362 -13.761 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.174 -9.689 -12.575 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.052 -8.406 -12.449 1.00 0.00 H new ATOM 1479 N PRO A 95 1.894 -9.472 -15.999 1.00 0.00 N ATOM 1480 CA PRO A 95 2.838 -8.735 -16.838 1.00 0.00 C ATOM 1481 C PRO A 95 2.210 -7.523 -17.529 1.00 0.00 C ATOM 1482 O PRO A 95 2.935 -6.617 -17.936 1.00 0.00 O ATOM 1483 CB PRO A 95 3.395 -9.753 -17.839 1.00 0.00 C ATOM 1484 CG PRO A 95 2.311 -10.828 -17.908 1.00 0.00 C ATOM 1485 CD PRO A 95 1.733 -10.834 -16.495 1.00 0.00 C ATOM 0 HA PRO A 95 3.632 -8.304 -16.229 1.00 0.00 H new ATOM 0 HB2 PRO A 95 3.571 -9.300 -18.814 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.346 -10.165 -17.503 1.00 0.00 H new ATOM 0 HG2 PRO A 95 1.552 -10.587 -18.652 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.725 -11.800 -18.178 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.683 -11.127 -16.502 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.258 -11.547 -15.860 1.00 0.00 H new ATOM 1493 N GLU A 96 0.879 -7.455 -17.629 1.00 0.00 N ATOM 1494 CA GLU A 96 0.169 -6.276 -18.126 1.00 0.00 C ATOM 1495 C GLU A 96 0.501 -5.032 -17.294 1.00 0.00 C ATOM 1496 O GLU A 96 0.522 -3.919 -17.820 1.00 0.00 O ATOM 1497 CB GLU A 96 -1.345 -6.530 -18.057 1.00 0.00 C ATOM 1498 CG GLU A 96 -1.768 -7.724 -18.918 1.00 0.00 C ATOM 1499 CD GLU A 96 -3.249 -8.081 -18.745 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -4.126 -7.202 -18.896 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -3.533 -9.273 -18.483 1.00 0.00 O ATOM 0 H GLU A 96 0.261 -8.223 -17.365 1.00 0.00 H new ATOM 0 HA GLU A 96 0.483 -6.099 -19.155 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.635 -6.709 -17.022 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -1.877 -5.638 -18.388 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.573 -7.498 -19.966 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.157 -8.589 -18.659 1.00 0.00 H new ATOM 1508 N MET A 97 0.778 -5.228 -16.002 1.00 0.00 N ATOM 1509 CA MET A 97 1.034 -4.146 -15.057 1.00 0.00 C ATOM 1510 C MET A 97 2.525 -3.835 -14.926 1.00 0.00 C ATOM 1511 O MET A 97 2.885 -3.017 -14.079 1.00 0.00 O ATOM 1512 CB MET A 97 0.418 -4.461 -13.683 1.00 0.00 C ATOM 1513 CG MET A 97 -1.081 -4.779 -13.741 1.00 0.00 C ATOM 1514 SD MET A 97 -2.129 -3.636 -14.689 1.00 0.00 S ATOM 1515 CE MET A 97 -2.160 -2.206 -13.576 1.00 0.00 C ATOM 0 H MET A 97 0.831 -6.156 -15.581 1.00 0.00 H new ATOM 0 HA MET A 97 0.553 -3.252 -15.455 1.00 0.00 H new ATOM 0 HB2 MET A 97 0.944 -5.309 -13.244 1.00 0.00 H new ATOM 0 HB3 MET A 97 0.575 -3.610 -13.020 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.200 -5.777 -14.163 1.00 0.00 H new ATOM 0 HG3 MET A 97 -1.459 -4.818 -12.719 1.00 0.00 H new ATOM 0 HE1 MET A 97 -2.563 -1.342 -14.105 1.00 0.00 H new ATOM 0 HE2 MET A 97 -2.789 -2.429 -12.714 1.00 0.00 H new ATOM 0 HE3 MET A 97 -1.147 -1.985 -13.239 1.00 0.00 H new ATOM 1525 N ARG A 98 3.412 -4.445 -15.724 1.00 0.00 N ATOM 1526 CA ARG A 98 4.834 -4.095 -15.705 1.00 0.00 C ATOM 1527 C ARG A 98 4.986 -2.584 -15.914 1.00 0.00 C ATOM 1528 O ARG A 98 4.291 -2.002 -16.750 1.00 0.00 O ATOM 1529 CB ARG A 98 5.618 -4.941 -16.726 1.00 0.00 C ATOM 1530 CG ARG A 98 5.351 -4.573 -18.197 1.00 0.00 C ATOM 1531 CD ARG A 98 5.881 -5.668 -19.131 1.00 0.00 C ATOM 1532 NE ARG A 98 5.660 -5.333 -20.549 1.00 0.00 N ATOM 1533 CZ ARG A 98 4.524 -5.507 -21.241 1.00 0.00 C ATOM 1534 NH1 ARG A 98 3.427 -5.975 -20.651 1.00 0.00 N ATOM 1535 NH2 ARG A 98 4.495 -5.205 -22.535 1.00 0.00 N ATOM 0 H ARG A 98 3.169 -5.180 -16.388 1.00 0.00 H new ATOM 0 HA ARG A 98 5.268 -4.331 -14.733 1.00 0.00 H new ATOM 0 HB2 ARG A 98 6.684 -4.834 -16.525 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.369 -5.992 -16.576 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.281 -4.438 -18.356 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.830 -3.623 -18.433 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.947 -5.812 -18.954 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.389 -6.613 -18.900 1.00 0.00 H new ATOM 0 HE ARG A 98 6.449 -4.929 -21.054 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.442 -6.207 -19.658 1.00 0.00 H new ATOM 0 HH12 ARG A 98 2.571 -6.101 -21.192 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.332 -4.844 -22.993 1.00 0.00 H new ATOM 0 HH22 ARG A 98 3.636 -5.334 -23.070 1.00 0.00 H new ATOM 1549 N GLY A 99 5.836 -1.934 -15.120 1.00 0.00 N ATOM 1550 CA GLY A 99 6.007 -0.482 -15.127 1.00 0.00 C ATOM 1551 C GLY A 99 4.880 0.261 -14.396 1.00 0.00 C ATOM 1552 O GLY A 99 5.158 1.233 -13.693 1.00 0.00 O ATOM 0 H GLY A 99 6.434 -2.409 -14.444 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.960 -0.232 -14.661 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.055 -0.133 -16.158 1.00 0.00 H new ATOM 1556 N LYS A 100 3.623 -0.195 -14.496 1.00 0.00 N ATOM 1557 CA LYS A 100 2.522 0.329 -13.679 1.00 0.00 C ATOM 1558 C LYS A 100 2.670 -0.096 -12.218 1.00 0.00 C ATOM 1559 O LYS A 100 2.113 0.576 -11.349 1.00 0.00 O ATOM 1560 CB LYS A 100 1.149 -0.106 -14.219 1.00 0.00 C ATOM 1561 CG LYS A 100 0.866 0.436 -15.628 1.00 0.00 C ATOM 1562 CD LYS A 100 -0.572 0.119 -16.058 1.00 0.00 C ATOM 1563 CE LYS A 100 -0.863 0.735 -17.433 1.00 0.00 C ATOM 1564 NZ LYS A 100 -2.288 0.595 -17.814 1.00 0.00 N ATOM 0 H LYS A 100 3.343 -0.933 -15.142 1.00 0.00 H new ATOM 0 HA LYS A 100 2.576 1.416 -13.736 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.099 -1.195 -14.236 1.00 0.00 H new ATOM 0 HB3 LYS A 100 0.370 0.238 -13.539 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.026 1.514 -15.646 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.567 -0.002 -16.338 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.718 -0.960 -16.097 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.274 0.509 -15.321 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.593 1.791 -17.422 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.238 0.254 -18.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.409 0.868 -18.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.586 -0.393 -17.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.870 1.212 -17.213 1.00 0.00 H new ATOM 1578 N VAL A 101 3.390 -1.184 -11.926 1.00 0.00 N ATOM 1579 CA VAL A 101 3.756 -1.531 -10.564 1.00 0.00 C ATOM 1580 C VAL A 101 5.022 -0.751 -10.187 1.00 0.00 C ATOM 1581 O VAL A 101 5.978 -0.716 -10.966 1.00 0.00 O ATOM 1582 CB VAL A 101 3.880 -3.060 -10.410 1.00 0.00 C ATOM 1583 CG1 VAL A 101 4.878 -3.743 -11.355 1.00 0.00 C ATOM 1584 CG2 VAL A 101 4.217 -3.395 -8.955 1.00 0.00 C ATOM 0 H VAL A 101 3.730 -1.841 -12.628 1.00 0.00 H new ATOM 0 HA VAL A 101 2.977 -1.240 -9.859 1.00 0.00 H new ATOM 0 HB VAL A 101 2.909 -3.463 -10.699 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.886 -4.816 -11.162 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.582 -3.562 -12.389 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.875 -3.337 -11.187 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.306 -4.475 -8.842 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.161 -2.923 -8.682 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.425 -3.026 -8.304 1.00 0.00 H new ATOM 1594 N MET A 102 5.036 -0.139 -8.996 1.00 0.00 N ATOM 1595 CA MET A 102 6.167 0.645 -8.499 1.00 0.00 C ATOM 1596 C MET A 102 6.283 0.512 -6.978 1.00 0.00 C ATOM 1597 O MET A 102 5.325 0.141 -6.295 1.00 0.00 O ATOM 1598 CB MET A 102 5.987 2.126 -8.880 1.00 0.00 C ATOM 1599 CG MET A 102 6.281 2.357 -10.364 1.00 0.00 C ATOM 1600 SD MET A 102 6.123 4.074 -10.920 1.00 0.00 S ATOM 1601 CE MET A 102 4.340 4.092 -11.235 1.00 0.00 C ATOM 0 H MET A 102 4.252 -0.177 -8.345 1.00 0.00 H new ATOM 0 HA MET A 102 7.081 0.264 -8.955 1.00 0.00 H new ATOM 0 HB2 MET A 102 4.968 2.440 -8.656 1.00 0.00 H new ATOM 0 HB3 MET A 102 6.651 2.743 -8.275 1.00 0.00 H new ATOM 0 HG2 MET A 102 7.294 2.015 -10.575 1.00 0.00 H new ATOM 0 HG3 MET A 102 5.605 1.737 -10.953 1.00 0.00 H new ATOM 0 HE1 MET A 102 4.001 5.122 -11.347 1.00 0.00 H new ATOM 0 HE2 MET A 102 4.126 3.538 -12.149 1.00 0.00 H new ATOM 0 HE3 MET A 102 3.818 3.627 -10.399 1.00 0.00 H new ATOM 1611 N LEU A 103 7.466 0.836 -6.447 1.00 0.00 N ATOM 1612 CA LEU A 103 7.711 0.847 -5.009 1.00 0.00 C ATOM 1613 C LEU A 103 6.921 1.993 -4.375 1.00 0.00 C ATOM 1614 O LEU A 103 6.985 3.124 -4.862 1.00 0.00 O ATOM 1615 CB LEU A 103 9.215 1.070 -4.761 1.00 0.00 C ATOM 1616 CG LEU A 103 9.646 0.769 -3.316 1.00 0.00 C ATOM 1617 CD1 LEU A 103 9.695 -0.741 -3.058 1.00 0.00 C ATOM 1618 CD2 LEU A 103 11.027 1.379 -3.074 1.00 0.00 C ATOM 0 H LEU A 103 8.278 1.097 -7.006 1.00 0.00 H new ATOM 0 HA LEU A 103 7.399 -0.101 -4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 103 9.786 0.438 -5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.466 2.104 -4.999 1.00 0.00 H new ATOM 0 HG LEU A 103 8.916 1.204 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 103 10.003 -0.924 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.707 -1.171 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 103 10.410 -1.203 -3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.342 1.171 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 103 11.744 0.944 -3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 103 10.980 2.457 -3.227 1.00 0.00 H new ATOM 1630 N PHE A 104 6.225 1.746 -3.267 1.00 0.00 N ATOM 1631 CA PHE A 104 5.471 2.794 -2.592 1.00 0.00 C ATOM 1632 C PHE A 104 6.398 3.893 -2.068 1.00 0.00 C ATOM 1633 O PHE A 104 6.108 5.075 -2.250 1.00 0.00 O ATOM 1634 CB PHE A 104 4.608 2.199 -1.467 1.00 0.00 C ATOM 1635 CG PHE A 104 3.595 3.152 -0.851 1.00 0.00 C ATOM 1636 CD1 PHE A 104 2.894 4.065 -1.660 1.00 0.00 C ATOM 1637 CD2 PHE A 104 3.292 3.082 0.522 1.00 0.00 C ATOM 1638 CE1 PHE A 104 1.889 4.874 -1.122 1.00 0.00 C ATOM 1639 CE2 PHE A 104 2.269 3.885 1.062 1.00 0.00 C ATOM 1640 CZ PHE A 104 1.544 4.754 0.229 1.00 0.00 C ATOM 0 H PHE A 104 6.169 0.831 -2.820 1.00 0.00 H new ATOM 0 HA PHE A 104 4.802 3.256 -3.319 1.00 0.00 H new ATOM 0 HB2 PHE A 104 4.075 1.333 -1.860 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.268 1.837 -0.678 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.135 4.142 -2.710 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.845 2.411 1.162 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.379 5.591 -1.748 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.042 3.833 2.117 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.722 5.328 0.631 1.00 0.00 H new ATOM 1650 N GLY A 105 7.550 3.504 -1.515 1.00 0.00 N ATOM 1651 CA GLY A 105 8.534 4.434 -0.968 1.00 0.00 C ATOM 1652 C GLY A 105 9.459 5.027 -2.031 1.00 0.00 C ATOM 1653 O GLY A 105 10.548 5.484 -1.687 1.00 0.00 O ATOM 0 H GLY A 105 7.826 2.525 -1.435 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.014 5.244 -0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.135 3.918 -0.220 1.00 0.00 H new ATOM 1657 N HIS A 106 9.082 4.989 -3.316 1.00 0.00 N ATOM 1658 CA HIS A 106 9.898 5.485 -4.423 1.00 0.00 C ATOM 1659 C HIS A 106 10.401 6.912 -4.173 1.00 0.00 C ATOM 1660 O HIS A 106 11.595 7.178 -4.316 1.00 0.00 O ATOM 1661 CB HIS A 106 9.097 5.387 -5.728 1.00 0.00 C ATOM 1662 CG HIS A 106 9.708 6.118 -6.899 1.00 0.00 C ATOM 1663 ND1 HIS A 106 10.793 5.721 -7.652 1.00 0.00 N ATOM 1664 CD2 HIS A 106 9.284 7.318 -7.407 1.00 0.00 C ATOM 1665 CE1 HIS A 106 11.017 6.662 -8.584 1.00 0.00 C ATOM 1666 NE2 HIS A 106 10.120 7.660 -8.479 1.00 0.00 N ATOM 0 H HIS A 106 8.186 4.606 -3.616 1.00 0.00 H new ATOM 0 HA HIS A 106 10.788 4.861 -4.505 1.00 0.00 H new ATOM 0 HB2 HIS A 106 8.985 4.335 -5.992 1.00 0.00 H new ATOM 0 HB3 HIS A 106 8.095 5.780 -5.554 1.00 0.00 H new ATOM 0 HD1 HIS A 106 11.331 4.864 -7.524 1.00 0.00 H new ATOM 0 HD2 HIS A 106 8.450 7.900 -7.044 1.00 0.00 H new ATOM 0 HE1 HIS A 106 11.809 6.623 -9.317 1.00 0.00 H new ATOM 1674 N TRP A 107 9.510 7.818 -3.757 1.00 0.00 N ATOM 1675 CA TRP A 107 9.857 9.221 -3.549 1.00 0.00 C ATOM 1676 C TRP A 107 10.863 9.397 -2.408 1.00 0.00 C ATOM 1677 O TRP A 107 11.648 10.346 -2.414 1.00 0.00 O ATOM 1678 CB TRP A 107 8.588 10.013 -3.227 1.00 0.00 C ATOM 1679 CG TRP A 107 7.390 9.689 -4.064 1.00 0.00 C ATOM 1680 CD1 TRP A 107 6.378 8.880 -3.680 1.00 0.00 C ATOM 1681 CD2 TRP A 107 7.059 10.127 -5.419 1.00 0.00 C ATOM 1682 NE1 TRP A 107 5.461 8.780 -4.699 1.00 0.00 N ATOM 1683 CE2 TRP A 107 5.819 9.530 -5.793 1.00 0.00 C ATOM 1684 CE3 TRP A 107 7.677 10.966 -6.373 1.00 0.00 C ATOM 1685 CZ2 TRP A 107 5.219 9.755 -7.039 1.00 0.00 C ATOM 1686 CZ3 TRP A 107 7.079 11.208 -7.626 1.00 0.00 C ATOM 1687 CH2 TRP A 107 5.849 10.608 -7.957 1.00 0.00 C ATOM 0 H TRP A 107 8.534 7.598 -3.557 1.00 0.00 H new ATOM 0 HA TRP A 107 10.319 9.591 -4.465 1.00 0.00 H new ATOM 0 HB2 TRP A 107 8.333 9.845 -2.181 1.00 0.00 H new ATOM 0 HB3 TRP A 107 8.807 11.075 -3.335 1.00 0.00 H new ATOM 0 HD1 TRP A 107 6.302 8.388 -2.721 1.00 0.00 H new ATOM 0 HE1 TRP A 107 4.613 8.215 -4.649 1.00 0.00 H new ATOM 0 HE3 TRP A 107 8.624 11.430 -6.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 4.283 9.278 -7.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 7.567 11.858 -8.337 1.00 0.00 H new ATOM 0 HH2 TRP A 107 5.392 10.804 -8.916 1.00 0.00 H new ATOM 1698 N ASP A 108 10.853 8.478 -1.439 1.00 0.00 N ATOM 1699 CA ASP A 108 11.742 8.514 -0.285 1.00 0.00 C ATOM 1700 C ASP A 108 13.022 7.767 -0.634 1.00 0.00 C ATOM 1701 O ASP A 108 13.366 6.765 -0.011 1.00 0.00 O ATOM 1702 CB ASP A 108 11.028 7.961 0.960 1.00 0.00 C ATOM 1703 CG ASP A 108 11.774 8.294 2.261 1.00 0.00 C ATOM 1704 OD1 ASP A 108 12.663 9.176 2.276 1.00 0.00 O ATOM 1705 OD2 ASP A 108 11.366 7.788 3.328 1.00 0.00 O ATOM 0 H ASP A 108 10.218 7.680 -1.438 1.00 0.00 H new ATOM 0 HA ASP A 108 12.016 9.539 -0.037 1.00 0.00 H new ATOM 0 HB2 ASP A 108 10.019 8.370 1.008 1.00 0.00 H new ATOM 0 HB3 ASP A 108 10.929 6.879 0.868 1.00 0.00 H new ATOM 1710 N ASN A 109 13.696 8.250 -1.686 1.00 0.00 N ATOM 1711 CA ASN A 109 14.965 7.698 -2.166 1.00 0.00 C ATOM 1712 C ASN A 109 14.898 6.170 -2.372 1.00 0.00 C ATOM 1713 O ASN A 109 15.826 5.431 -2.038 1.00 0.00 O ATOM 1714 CB ASN A 109 16.078 8.173 -1.219 1.00 0.00 C ATOM 1715 CG ASN A 109 17.474 7.755 -1.659 1.00 0.00 C ATOM 1716 OD1 ASN A 109 17.820 7.771 -2.839 1.00 0.00 O ATOM 1717 ND2 ASN A 109 18.310 7.403 -0.699 1.00 0.00 N ATOM 0 H ASN A 109 13.369 9.046 -2.233 1.00 0.00 H new ATOM 0 HA ASN A 109 15.193 8.072 -3.164 1.00 0.00 H new ATOM 0 HB2 ASN A 109 16.040 9.260 -1.144 1.00 0.00 H new ATOM 0 HB3 ASN A 109 15.887 7.778 -0.221 1.00 0.00 H new ATOM 0 HD21 ASN A 109 19.267 7.136 -0.929 1.00 0.00 H new ATOM 0 HD22 ASN A 109 17.998 7.398 0.272 1.00 0.00 H new ATOM 1724 N GLU A 110 13.762 5.710 -2.912 1.00 0.00 N ATOM 1725 CA GLU A 110 13.457 4.295 -3.141 1.00 0.00 C ATOM 1726 C GLU A 110 13.718 3.391 -1.929 1.00 0.00 C ATOM 1727 O GLU A 110 14.195 2.261 -2.062 1.00 0.00 O ATOM 1728 CB GLU A 110 14.082 3.785 -4.454 1.00 0.00 C ATOM 1729 CG GLU A 110 13.708 4.693 -5.631 1.00 0.00 C ATOM 1730 CD GLU A 110 13.816 3.980 -6.987 1.00 0.00 C ATOM 1731 OE1 GLU A 110 14.944 3.726 -7.469 1.00 0.00 O ATOM 1732 OE2 GLU A 110 12.755 3.696 -7.587 1.00 0.00 O ATOM 0 H GLU A 110 13.010 6.331 -3.209 1.00 0.00 H new ATOM 0 HA GLU A 110 12.377 4.232 -3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 110 15.166 3.744 -4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 110 13.742 2.769 -4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 110 12.689 5.055 -5.496 1.00 0.00 H new ATOM 0 HG3 GLU A 110 14.359 5.567 -5.632 1.00 0.00 H new ATOM 1739 N CYS A 111 13.400 3.897 -0.740 1.00 0.00 N ATOM 1740 CA CYS A 111 13.448 3.108 0.479 1.00 0.00 C ATOM 1741 C CYS A 111 12.329 2.065 0.455 1.00 0.00 C ATOM 1742 O CYS A 111 11.150 2.418 0.382 1.00 0.00 O ATOM 1743 CB CYS A 111 13.285 4.015 1.700 1.00 0.00 C ATOM 1744 SG CYS A 111 14.810 4.955 1.993 1.00 0.00 S ATOM 0 H CYS A 111 13.103 4.863 -0.599 1.00 0.00 H new ATOM 0 HA CYS A 111 14.413 2.605 0.542 1.00 0.00 H new ATOM 0 HB2 CYS A 111 12.452 4.700 1.544 1.00 0.00 H new ATOM 0 HB3 CYS A 111 13.045 3.415 2.578 1.00 0.00 H new ATOM 0 HG CYS A 111 14.782 6.054 1.299 1.00 0.00 H new ATOM 1750 N GLU A 112 12.692 0.783 0.528 1.00 0.00 N ATOM 1751 CA GLU A 112 11.724 -0.284 0.746 1.00 0.00 C ATOM 1752 C GLU A 112 11.182 -0.181 2.177 1.00 0.00 C ATOM 1753 O GLU A 112 11.803 0.438 3.049 1.00 0.00 O ATOM 1754 CB GLU A 112 12.331 -1.670 0.450 1.00 0.00 C ATOM 1755 CG GLU A 112 13.442 -2.165 1.397 1.00 0.00 C ATOM 1756 CD GLU A 112 14.765 -1.381 1.307 1.00 0.00 C ATOM 1757 OE1 GLU A 112 15.053 -0.790 0.243 1.00 0.00 O ATOM 1758 OE2 GLU A 112 15.527 -1.364 2.301 1.00 0.00 O ATOM 0 H GLU A 112 13.656 0.461 0.438 1.00 0.00 H new ATOM 0 HA GLU A 112 10.894 -0.167 0.049 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.524 -2.403 0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.732 -1.655 -0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 112 13.075 -2.115 2.422 1.00 0.00 H new ATOM 0 HG3 GLU A 112 13.643 -3.214 1.182 1.00 0.00 H new ATOM 1765 N ILE A 113 10.031 -0.807 2.421 1.00 0.00 N ATOM 1766 CA ILE A 113 9.272 -0.627 3.652 1.00 0.00 C ATOM 1767 C ILE A 113 9.202 -1.985 4.368 1.00 0.00 C ATOM 1768 O ILE A 113 8.877 -2.980 3.713 1.00 0.00 O ATOM 1769 CB ILE A 113 7.890 -0.016 3.307 1.00 0.00 C ATOM 1770 CG1 ILE A 113 8.090 1.289 2.491 1.00 0.00 C ATOM 1771 CG2 ILE A 113 7.048 0.188 4.580 1.00 0.00 C ATOM 1772 CD1 ILE A 113 6.845 2.144 2.253 1.00 0.00 C ATOM 0 H ILE A 113 9.599 -1.457 1.764 1.00 0.00 H new ATOM 0 HA ILE A 113 9.748 0.073 4.339 1.00 0.00 H new ATOM 0 HB ILE A 113 7.325 -0.707 2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.831 1.902 3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.512 1.024 1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.083 0.618 4.313 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.894 -0.772 5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.571 0.863 5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.115 3.026 1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.103 1.562 1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.428 2.454 3.211 1.00 0.00 H new ATOM 1784 N PRO A 114 9.518 -2.064 5.677 1.00 0.00 N ATOM 1785 CA PRO A 114 9.465 -3.303 6.452 1.00 0.00 C ATOM 1786 C PRO A 114 8.088 -3.984 6.463 1.00 0.00 C ATOM 1787 O PRO A 114 7.089 -3.456 5.962 1.00 0.00 O ATOM 1788 CB PRO A 114 9.896 -2.937 7.879 1.00 0.00 C ATOM 1789 CG PRO A 114 10.684 -1.643 7.717 1.00 0.00 C ATOM 1790 CD PRO A 114 10.030 -0.980 6.508 1.00 0.00 C ATOM 0 HA PRO A 114 10.126 -4.035 5.988 1.00 0.00 H new ATOM 0 HB2 PRO A 114 9.034 -2.798 8.531 1.00 0.00 H new ATOM 0 HB3 PRO A 114 10.508 -3.722 8.323 1.00 0.00 H new ATOM 0 HG2 PRO A 114 10.614 -1.016 8.606 1.00 0.00 H new ATOM 0 HG3 PRO A 114 11.743 -1.836 7.546 1.00 0.00 H new ATOM 0 HD2 PRO A 114 9.225 -0.313 6.818 1.00 0.00 H new ATOM 0 HD3 PRO A 114 10.751 -0.375 5.958 1.00 0.00 H new ATOM 1798 N ASP A 115 8.031 -5.148 7.107 1.00 0.00 N ATOM 1799 CA ASP A 115 6.811 -5.899 7.380 1.00 0.00 C ATOM 1800 C ASP A 115 6.710 -6.075 8.895 1.00 0.00 C ATOM 1801 O ASP A 115 7.494 -6.841 9.464 1.00 0.00 O ATOM 1802 CB ASP A 115 6.842 -7.259 6.673 1.00 0.00 C ATOM 1803 CG ASP A 115 5.740 -8.199 7.194 1.00 0.00 C ATOM 1804 OD1 ASP A 115 4.695 -7.705 7.674 1.00 0.00 O ATOM 1805 OD2 ASP A 115 5.939 -9.432 7.126 1.00 0.00 O ATOM 0 H ASP A 115 8.866 -5.610 7.466 1.00 0.00 H new ATOM 0 HA ASP A 115 5.940 -5.363 7.003 1.00 0.00 H new ATOM 0 HB2 ASP A 115 6.718 -7.114 5.600 1.00 0.00 H new ATOM 0 HB3 ASP A 115 7.817 -7.724 6.822 1.00 0.00 H new ATOM 1810 N PRO A 116 5.807 -5.355 9.580 1.00 0.00 N ATOM 1811 CA PRO A 116 5.754 -5.345 11.031 1.00 0.00 C ATOM 1812 C PRO A 116 5.028 -6.569 11.611 1.00 0.00 C ATOM 1813 O PRO A 116 4.980 -6.698 12.835 1.00 0.00 O ATOM 1814 CB PRO A 116 5.034 -4.039 11.372 1.00 0.00 C ATOM 1815 CG PRO A 116 4.031 -3.892 10.229 1.00 0.00 C ATOM 1816 CD PRO A 116 4.781 -4.477 9.031 1.00 0.00 C ATOM 0 HA PRO A 116 6.750 -5.400 11.470 1.00 0.00 H new ATOM 0 HB2 PRO A 116 4.537 -4.093 12.341 1.00 0.00 H new ATOM 0 HB3 PRO A 116 5.724 -3.197 11.414 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.108 -4.435 10.431 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.758 -2.850 10.064 1.00 0.00 H new ATOM 0 HD2 PRO A 116 4.103 -5.030 8.380 1.00 0.00 H new ATOM 0 HD3 PRO A 116 5.228 -3.686 8.428 1.00 0.00 H new ATOM 1824 N TYR A 117 4.458 -7.460 10.783 1.00 0.00 N ATOM 1825 CA TYR A 117 3.698 -8.608 11.256 1.00 0.00 C ATOM 1826 C TYR A 117 4.509 -9.413 12.276 1.00 0.00 C ATOM 1827 O TYR A 117 5.694 -9.698 12.060 1.00 0.00 O ATOM 1828 CB TYR A 117 3.276 -9.470 10.058 1.00 0.00 C ATOM 1829 CG TYR A 117 2.823 -10.870 10.427 1.00 0.00 C ATOM 1830 CD1 TYR A 117 1.678 -11.064 11.219 1.00 0.00 C ATOM 1831 CD2 TYR A 117 3.605 -11.972 10.035 1.00 0.00 C ATOM 1832 CE1 TYR A 117 1.324 -12.361 11.640 1.00 0.00 C ATOM 1833 CE2 TYR A 117 3.249 -13.271 10.436 1.00 0.00 C ATOM 1834 CZ TYR A 117 2.112 -13.470 11.253 1.00 0.00 C ATOM 1835 OH TYR A 117 1.784 -14.718 11.692 1.00 0.00 O ATOM 0 H TYR A 117 4.517 -7.396 9.767 1.00 0.00 H new ATOM 0 HA TYR A 117 2.798 -8.262 11.765 1.00 0.00 H new ATOM 0 HB2 TYR A 117 2.467 -8.966 9.529 1.00 0.00 H new ATOM 0 HB3 TYR A 117 4.113 -9.542 9.364 1.00 0.00 H new ATOM 0 HD1 TYR A 117 1.070 -10.219 11.505 1.00 0.00 H new ATOM 0 HD2 TYR A 117 4.482 -11.819 9.424 1.00 0.00 H new ATOM 0 HE1 TYR A 117 0.451 -12.509 12.258 1.00 0.00 H new ATOM 0 HE2 TYR A 117 3.843 -14.116 10.121 1.00 0.00 H new ATOM 0 HH TYR A 117 2.424 -15.369 11.336 1.00 0.00 H new ATOM 1845 N ARG A 118 3.834 -9.790 13.371 1.00 0.00 N ATOM 1846 CA ARG A 118 4.386 -10.628 14.437 1.00 0.00 C ATOM 1847 C ARG A 118 5.573 -9.983 15.171 1.00 0.00 C ATOM 1848 O ARG A 118 6.362 -10.698 15.792 1.00 0.00 O ATOM 1849 CB ARG A 118 4.656 -12.048 13.889 1.00 0.00 C ATOM 1850 CG ARG A 118 4.360 -13.151 14.914 1.00 0.00 C ATOM 1851 CD ARG A 118 4.561 -14.536 14.287 1.00 0.00 C ATOM 1852 NE ARG A 118 4.157 -15.607 15.216 1.00 0.00 N ATOM 1853 CZ ARG A 118 2.942 -16.164 15.317 1.00 0.00 C ATOM 1854 NH1 ARG A 118 1.951 -15.815 14.498 1.00 0.00 N ATOM 1855 NH2 ARG A 118 2.721 -17.081 16.254 1.00 0.00 N ATOM 0 H ARG A 118 2.867 -9.513 13.541 1.00 0.00 H new ATOM 0 HA ARG A 118 3.642 -10.724 15.228 1.00 0.00 H new ATOM 0 HB2 ARG A 118 4.045 -12.211 13.001 1.00 0.00 H new ATOM 0 HB3 ARG A 118 5.698 -12.119 13.577 1.00 0.00 H new ATOM 0 HG2 ARG A 118 5.015 -13.038 15.778 1.00 0.00 H new ATOM 0 HG3 ARG A 118 3.336 -13.054 15.276 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.979 -14.610 13.368 1.00 0.00 H new ATOM 0 HD3 ARG A 118 5.608 -14.665 14.013 1.00 0.00 H new ATOM 0 HE ARG A 118 4.876 -15.961 15.847 1.00 0.00 H new ATOM 0 HH11 ARG A 118 2.109 -15.111 13.777 1.00 0.00 H new ATOM 0 HH12 ARG A 118 1.034 -16.251 14.592 1.00 0.00 H new ATOM 0 HH21 ARG A 118 3.472 -17.354 16.887 1.00 0.00 H new ATOM 0 HH22 ARG A 118 1.800 -17.511 16.340 1.00 0.00 H new ATOM 1869 N LYS A 119 5.702 -8.651 15.127 1.00 0.00 N ATOM 1870 CA LYS A 119 6.764 -7.915 15.825 1.00 0.00 C ATOM 1871 C LYS A 119 6.127 -6.890 16.769 1.00 0.00 C ATOM 1872 O LYS A 119 4.902 -6.752 16.809 1.00 0.00 O ATOM 1873 CB LYS A 119 7.717 -7.266 14.800 1.00 0.00 C ATOM 1874 CG LYS A 119 8.380 -8.308 13.882 1.00 0.00 C ATOM 1875 CD LYS A 119 9.115 -7.674 12.694 1.00 0.00 C ATOM 1876 CE LYS A 119 9.462 -8.739 11.643 1.00 0.00 C ATOM 1877 NZ LYS A 119 8.275 -9.161 10.855 1.00 0.00 N ATOM 0 H LYS A 119 5.068 -8.049 14.602 1.00 0.00 H new ATOM 0 HA LYS A 119 7.365 -8.594 16.429 1.00 0.00 H new ATOM 0 HB2 LYS A 119 7.162 -6.550 14.193 1.00 0.00 H new ATOM 0 HB3 LYS A 119 8.489 -6.706 15.328 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.085 -8.902 14.464 1.00 0.00 H new ATOM 0 HG3 LYS A 119 7.619 -8.993 13.508 1.00 0.00 H new ATOM 0 HD2 LYS A 119 8.492 -6.901 12.244 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.026 -7.187 13.041 1.00 0.00 H new ATOM 0 HE2 LYS A 119 10.222 -8.346 10.968 1.00 0.00 H new ATOM 0 HE3 LYS A 119 9.894 -9.608 12.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 8.513 -10.003 10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.491 -9.385 11.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 7.989 -8.390 10.218 1.00 0.00 H new ATOM 1891 N SER A 120 6.955 -6.210 17.563 1.00 0.00 N ATOM 1892 CA SER A 120 6.497 -5.274 18.586 1.00 0.00 C ATOM 1893 C SER A 120 5.718 -4.103 17.970 1.00 0.00 C ATOM 1894 O SER A 120 5.945 -3.748 16.809 1.00 0.00 O ATOM 1895 CB SER A 120 7.724 -4.777 19.363 1.00 0.00 C ATOM 1896 OG SER A 120 8.520 -5.873 19.797 1.00 0.00 O ATOM 0 H SER A 120 7.970 -6.295 17.512 1.00 0.00 H new ATOM 0 HA SER A 120 5.809 -5.780 19.263 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.318 -4.117 18.731 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.403 -4.190 20.224 1.00 0.00 H new ATOM 0 HG SER A 120 9.298 -5.537 20.289 1.00 0.00 H new ATOM 1902 N ARG A 121 4.845 -3.455 18.753 1.00 0.00 N ATOM 1903 CA ARG A 121 4.014 -2.344 18.269 1.00 0.00 C ATOM 1904 C ARG A 121 4.850 -1.166 17.763 1.00 0.00 C ATOM 1905 O ARG A 121 4.429 -0.488 16.828 1.00 0.00 O ATOM 1906 CB ARG A 121 3.009 -1.936 19.366 1.00 0.00 C ATOM 1907 CG ARG A 121 1.996 -0.874 18.903 1.00 0.00 C ATOM 1908 CD ARG A 121 0.833 -0.749 19.901 1.00 0.00 C ATOM 1909 NE ARG A 121 -0.135 0.296 19.512 1.00 0.00 N ATOM 1910 CZ ARG A 121 -0.002 1.609 19.761 1.00 0.00 C ATOM 1911 NH1 ARG A 121 1.079 2.107 20.350 1.00 0.00 N ATOM 1912 NH2 ARG A 121 -0.941 2.482 19.426 1.00 0.00 N ATOM 0 H ARG A 121 4.695 -3.685 19.735 1.00 0.00 H new ATOM 0 HA ARG A 121 3.451 -2.684 17.400 1.00 0.00 H new ATOM 0 HB2 ARG A 121 2.468 -2.821 19.701 1.00 0.00 H new ATOM 0 HB3 ARG A 121 3.558 -1.553 20.227 1.00 0.00 H new ATOM 0 HG2 ARG A 121 2.496 0.089 18.799 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.609 -1.140 17.919 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.318 -1.707 19.976 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.230 -0.522 20.890 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.973 -0.004 19.014 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.840 1.487 20.628 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.148 3.110 20.525 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.793 2.163 18.966 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.811 3.473 19.628 1.00 0.00 H new ATOM 1926 N GLU A 122 6.053 -0.950 18.300 1.00 0.00 N ATOM 1927 CA GLU A 122 6.962 0.075 17.784 1.00 0.00 C ATOM 1928 C GLU A 122 7.358 -0.183 16.321 1.00 0.00 C ATOM 1929 O GLU A 122 7.615 0.766 15.582 1.00 0.00 O ATOM 1930 CB GLU A 122 8.188 0.223 18.701 1.00 0.00 C ATOM 1931 CG GLU A 122 9.062 -1.037 18.802 1.00 0.00 C ATOM 1932 CD GLU A 122 10.262 -0.813 19.739 1.00 0.00 C ATOM 1933 OE1 GLU A 122 11.338 -0.378 19.267 1.00 0.00 O ATOM 1934 OE2 GLU A 122 10.152 -1.084 20.957 1.00 0.00 O ATOM 0 H GLU A 122 6.421 -1.473 19.095 1.00 0.00 H new ATOM 0 HA GLU A 122 6.428 1.025 17.788 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.801 1.047 18.337 1.00 0.00 H new ATOM 0 HB3 GLU A 122 7.848 0.496 19.700 1.00 0.00 H new ATOM 0 HG2 GLU A 122 8.462 -1.870 19.169 1.00 0.00 H new ATOM 0 HG3 GLU A 122 9.419 -1.315 17.810 1.00 0.00 H new ATOM 1941 N THR A 123 7.350 -1.442 15.866 1.00 0.00 N ATOM 1942 CA THR A 123 7.601 -1.770 14.465 1.00 0.00 C ATOM 1943 C THR A 123 6.434 -1.266 13.611 1.00 0.00 C ATOM 1944 O THR A 123 6.654 -0.673 12.557 1.00 0.00 O ATOM 1945 CB THR A 123 7.792 -3.292 14.269 1.00 0.00 C ATOM 1946 OG1 THR A 123 8.340 -3.917 15.416 1.00 0.00 O ATOM 1947 CG2 THR A 123 8.712 -3.580 13.081 1.00 0.00 C ATOM 0 H THR A 123 7.170 -2.254 16.457 1.00 0.00 H new ATOM 0 HA THR A 123 8.523 -1.280 14.152 1.00 0.00 H new ATOM 0 HB THR A 123 6.798 -3.700 14.085 1.00 0.00 H new ATOM 0 HG1 THR A 123 7.626 -4.100 16.061 1.00 0.00 H new ATOM 0 HG21 THR A 123 8.830 -4.657 12.965 1.00 0.00 H new ATOM 0 HG22 THR A 123 8.276 -3.163 12.173 1.00 0.00 H new ATOM 0 HG23 THR A 123 9.687 -3.125 13.257 1.00 0.00 H new ATOM 1955 N PHE A 124 5.194 -1.446 14.080 1.00 0.00 N ATOM 1956 CA PHE A 124 4.022 -0.924 13.388 1.00 0.00 C ATOM 1957 C PHE A 124 4.068 0.605 13.361 1.00 0.00 C ATOM 1958 O PHE A 124 3.712 1.184 12.342 1.00 0.00 O ATOM 1959 CB PHE A 124 2.723 -1.434 14.034 1.00 0.00 C ATOM 1960 CG PHE A 124 2.420 -2.902 13.802 1.00 0.00 C ATOM 1961 CD1 PHE A 124 3.061 -3.894 14.570 1.00 0.00 C ATOM 1962 CD2 PHE A 124 1.471 -3.282 12.832 1.00 0.00 C ATOM 1963 CE1 PHE A 124 2.752 -5.251 14.372 1.00 0.00 C ATOM 1964 CE2 PHE A 124 1.160 -4.640 12.643 1.00 0.00 C ATOM 1965 CZ PHE A 124 1.802 -5.627 13.408 1.00 0.00 C ATOM 0 H PHE A 124 4.981 -1.952 14.940 1.00 0.00 H new ATOM 0 HA PHE A 124 4.034 -1.287 12.360 1.00 0.00 H new ATOM 0 HB2 PHE A 124 2.776 -1.256 15.108 1.00 0.00 H new ATOM 0 HB3 PHE A 124 1.890 -0.843 13.653 1.00 0.00 H new ATOM 0 HD1 PHE A 124 3.792 -3.611 15.313 1.00 0.00 H new ATOM 0 HD2 PHE A 124 0.982 -2.529 12.233 1.00 0.00 H new ATOM 0 HE1 PHE A 124 3.247 -6.007 14.963 1.00 0.00 H new ATOM 0 HE2 PHE A 124 0.424 -4.925 11.906 1.00 0.00 H new ATOM 0 HZ PHE A 124 1.567 -6.670 13.256 1.00 0.00 H new ATOM 1975 N ALA A 125 4.540 1.268 14.424 1.00 0.00 N ATOM 1976 CA ALA A 125 4.695 2.723 14.442 1.00 0.00 C ATOM 1977 C ALA A 125 5.742 3.194 13.424 1.00 0.00 C ATOM 1978 O ALA A 125 5.496 4.152 12.686 1.00 0.00 O ATOM 1979 CB ALA A 125 5.046 3.196 15.857 1.00 0.00 C ATOM 0 H ALA A 125 4.823 0.811 15.291 1.00 0.00 H new ATOM 0 HA ALA A 125 3.745 3.170 14.150 1.00 0.00 H new ATOM 0 HB1 ALA A 125 5.159 4.280 15.861 1.00 0.00 H new ATOM 0 HB2 ALA A 125 4.249 2.912 16.544 1.00 0.00 H new ATOM 0 HB3 ALA A 125 5.980 2.732 16.174 1.00 0.00 H new ATOM 1985 N ALA A 126 6.893 2.516 13.348 1.00 0.00 N ATOM 1986 CA ALA A 126 7.930 2.833 12.370 1.00 0.00 C ATOM 1987 C ALA A 126 7.390 2.663 10.949 1.00 0.00 C ATOM 1988 O ALA A 126 7.540 3.562 10.119 1.00 0.00 O ATOM 1989 CB ALA A 126 9.155 1.941 12.607 1.00 0.00 C ATOM 0 H ALA A 126 7.127 1.736 13.962 1.00 0.00 H new ATOM 0 HA ALA A 126 8.232 3.873 12.490 1.00 0.00 H new ATOM 0 HB1 ALA A 126 9.927 2.181 11.875 1.00 0.00 H new ATOM 0 HB2 ALA A 126 9.542 2.113 13.612 1.00 0.00 H new ATOM 0 HB3 ALA A 126 8.869 0.894 12.503 1.00 0.00 H new ATOM 1995 N VAL A 127 6.719 1.539 10.681 1.00 0.00 N ATOM 1996 CA VAL A 127 6.126 1.276 9.378 1.00 0.00 C ATOM 1997 C VAL A 127 5.047 2.320 9.082 1.00 0.00 C ATOM 1998 O VAL A 127 5.072 2.876 7.992 1.00 0.00 O ATOM 1999 CB VAL A 127 5.646 -0.188 9.304 1.00 0.00 C ATOM 2000 CG1 VAL A 127 4.793 -0.477 8.060 1.00 0.00 C ATOM 2001 CG2 VAL A 127 6.873 -1.115 9.266 1.00 0.00 C ATOM 0 H VAL A 127 6.575 0.793 11.361 1.00 0.00 H new ATOM 0 HA VAL A 127 6.865 1.381 8.584 1.00 0.00 H new ATOM 0 HB VAL A 127 5.027 -0.365 10.184 1.00 0.00 H new ATOM 0 HG11 VAL A 127 4.486 -1.523 8.065 1.00 0.00 H new ATOM 0 HG12 VAL A 127 3.909 0.161 8.069 1.00 0.00 H new ATOM 0 HG13 VAL A 127 5.378 -0.275 7.163 1.00 0.00 H new ATOM 0 HG21 VAL A 127 6.544 -2.153 9.214 1.00 0.00 H new ATOM 0 HG22 VAL A 127 7.478 -0.882 8.390 1.00 0.00 H new ATOM 0 HG23 VAL A 127 7.468 -0.968 10.167 1.00 0.00 H new ATOM 2011 N TYR A 128 4.163 2.667 10.026 1.00 0.00 N ATOM 2012 CA TYR A 128 3.155 3.703 9.813 1.00 0.00 C ATOM 2013 C TYR A 128 3.821 5.017 9.406 1.00 0.00 C ATOM 2014 O TYR A 128 3.367 5.659 8.464 1.00 0.00 O ATOM 2015 CB TYR A 128 2.290 3.891 11.073 1.00 0.00 C ATOM 2016 CG TYR A 128 1.190 4.934 10.922 1.00 0.00 C ATOM 2017 CD1 TYR A 128 1.503 6.309 10.964 1.00 0.00 C ATOM 2018 CD2 TYR A 128 -0.145 4.536 10.707 1.00 0.00 C ATOM 2019 CE1 TYR A 128 0.513 7.276 10.735 1.00 0.00 C ATOM 2020 CE2 TYR A 128 -1.150 5.500 10.506 1.00 0.00 C ATOM 2021 CZ TYR A 128 -0.826 6.876 10.519 1.00 0.00 C ATOM 2022 OH TYR A 128 -1.807 7.802 10.322 1.00 0.00 O ATOM 0 H TYR A 128 4.129 2.239 10.951 1.00 0.00 H new ATOM 0 HA TYR A 128 2.499 3.386 9.002 1.00 0.00 H new ATOM 0 HB2 TYR A 128 1.836 2.935 11.335 1.00 0.00 H new ATOM 0 HB3 TYR A 128 2.935 4.176 11.904 1.00 0.00 H new ATOM 0 HD1 TYR A 128 2.515 6.620 11.175 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -0.398 3.486 10.696 1.00 0.00 H new ATOM 0 HE1 TYR A 128 0.773 8.324 10.724 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -2.171 5.188 10.341 1.00 0.00 H new ATOM 0 HH TYR A 128 -2.665 7.347 10.189 1.00 0.00 H new ATOM 2032 N THR A 129 4.905 5.414 10.076 1.00 0.00 N ATOM 2033 CA THR A 129 5.591 6.667 9.779 1.00 0.00 C ATOM 2034 C THR A 129 6.158 6.635 8.348 1.00 0.00 C ATOM 2035 O THR A 129 5.990 7.589 7.587 1.00 0.00 O ATOM 2036 CB THR A 129 6.677 6.906 10.846 1.00 0.00 C ATOM 2037 OG1 THR A 129 6.126 6.817 12.151 1.00 0.00 O ATOM 2038 CG2 THR A 129 7.322 8.289 10.712 1.00 0.00 C ATOM 0 H THR A 129 5.327 4.878 10.834 1.00 0.00 H new ATOM 0 HA THR A 129 4.894 7.504 9.818 1.00 0.00 H new ATOM 0 HB THR A 129 7.432 6.136 10.689 1.00 0.00 H new ATOM 0 HG1 THR A 129 5.974 5.876 12.378 1.00 0.00 H new ATOM 0 HG21 THR A 129 8.081 8.413 11.484 1.00 0.00 H new ATOM 0 HG22 THR A 129 7.786 8.381 9.730 1.00 0.00 H new ATOM 0 HG23 THR A 129 6.559 9.059 10.826 1.00 0.00 H new ATOM 2046 N LEU A 130 6.788 5.527 7.953 1.00 0.00 N ATOM 2047 CA LEU A 130 7.372 5.368 6.623 1.00 0.00 C ATOM 2048 C LEU A 130 6.285 5.290 5.539 1.00 0.00 C ATOM 2049 O LEU A 130 6.438 5.857 4.454 1.00 0.00 O ATOM 2050 CB LEU A 130 8.268 4.121 6.670 1.00 0.00 C ATOM 2051 CG LEU A 130 8.997 3.764 5.365 1.00 0.00 C ATOM 2052 CD1 LEU A 130 9.745 4.941 4.729 1.00 0.00 C ATOM 2053 CD2 LEU A 130 10.012 2.658 5.678 1.00 0.00 C ATOM 0 H LEU A 130 6.907 4.710 8.552 1.00 0.00 H new ATOM 0 HA LEU A 130 7.974 6.235 6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 130 9.014 4.264 7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.655 3.269 6.965 1.00 0.00 H new ATOM 0 HG LEU A 130 8.238 3.451 4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.233 4.609 3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.039 5.738 4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 130 10.496 5.314 5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 130 10.545 2.385 4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 130 10.724 3.017 6.421 1.00 0.00 H new ATOM 0 HD23 LEU A 130 9.490 1.785 6.069 1.00 0.00 H new ATOM 2065 N LEU A 131 5.159 4.641 5.837 1.00 0.00 N ATOM 2066 CA LEU A 131 3.992 4.618 4.966 1.00 0.00 C ATOM 2067 C LEU A 131 3.395 6.018 4.848 1.00 0.00 C ATOM 2068 O LEU A 131 2.954 6.380 3.763 1.00 0.00 O ATOM 2069 CB LEU A 131 2.921 3.644 5.493 1.00 0.00 C ATOM 2070 CG LEU A 131 3.280 2.149 5.395 1.00 0.00 C ATOM 2071 CD1 LEU A 131 2.182 1.312 6.057 1.00 0.00 C ATOM 2072 CD2 LEU A 131 3.428 1.686 3.949 1.00 0.00 C ATOM 0 H LEU A 131 5.034 4.112 6.700 1.00 0.00 H new ATOM 0 HA LEU A 131 4.317 4.276 3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 131 2.719 3.884 6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 131 1.996 3.815 4.942 1.00 0.00 H new ATOM 0 HG LEU A 131 4.236 2.014 5.901 1.00 0.00 H new ATOM 0 HD11 LEU A 131 2.438 0.255 5.986 1.00 0.00 H new ATOM 0 HD12 LEU A 131 2.092 1.594 7.106 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.233 1.490 5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.681 0.626 3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.489 1.844 3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 131 4.220 2.257 3.463 1.00 0.00 H new ATOM 2084 N GLU A 132 3.373 6.811 5.923 1.00 0.00 N ATOM 2085 CA GLU A 132 2.819 8.160 5.898 1.00 0.00 C ATOM 2086 C GLU A 132 3.660 9.043 4.981 1.00 0.00 C ATOM 2087 O GLU A 132 3.091 9.723 4.128 1.00 0.00 O ATOM 2088 CB GLU A 132 2.708 8.726 7.325 1.00 0.00 C ATOM 2089 CG GLU A 132 2.087 10.128 7.336 1.00 0.00 C ATOM 2090 CD GLU A 132 1.894 10.662 8.765 1.00 0.00 C ATOM 2091 OE1 GLU A 132 2.884 11.108 9.389 1.00 0.00 O ATOM 2092 OE2 GLU A 132 0.743 10.668 9.258 1.00 0.00 O ATOM 0 H GLU A 132 3.740 6.532 6.833 1.00 0.00 H new ATOM 0 HA GLU A 132 1.807 8.135 5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 132 2.103 8.056 7.936 1.00 0.00 H new ATOM 0 HB3 GLU A 132 3.698 8.764 7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 132 2.726 10.812 6.777 1.00 0.00 H new ATOM 0 HG3 GLU A 132 1.124 10.102 6.826 1.00 0.00 H new ATOM 2099 N ARG A 133 4.994 8.981 5.086 1.00 0.00 N ATOM 2100 CA ARG A 133 5.886 9.670 4.143 1.00 0.00 C ATOM 2101 C ARG A 133 5.523 9.291 2.712 1.00 0.00 C ATOM 2102 O ARG A 133 5.266 10.165 1.886 1.00 0.00 O ATOM 2103 CB ARG A 133 7.365 9.319 4.401 1.00 0.00 C ATOM 2104 CG ARG A 133 7.898 9.896 5.716 1.00 0.00 C ATOM 2105 CD ARG A 133 9.317 9.399 6.044 1.00 0.00 C ATOM 2106 NE ARG A 133 10.333 9.793 5.050 1.00 0.00 N ATOM 2107 CZ ARG A 133 10.936 10.985 4.951 1.00 0.00 C ATOM 2108 NH1 ARG A 133 10.588 11.994 5.748 1.00 0.00 N ATOM 2109 NH2 ARG A 133 11.894 11.164 4.049 1.00 0.00 N ATOM 0 H ARG A 133 5.480 8.460 5.816 1.00 0.00 H new ATOM 0 HA ARG A 133 5.757 10.742 4.290 1.00 0.00 H new ATOM 0 HB2 ARG A 133 7.478 8.235 4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 133 7.970 9.693 3.575 1.00 0.00 H new ATOM 0 HG2 ARG A 133 7.902 10.984 5.656 1.00 0.00 H new ATOM 0 HG3 ARG A 133 7.224 9.624 6.528 1.00 0.00 H new ATOM 0 HD2 ARG A 133 9.610 9.785 7.021 1.00 0.00 H new ATOM 0 HD3 ARG A 133 9.302 8.312 6.122 1.00 0.00 H new ATOM 0 HE ARG A 133 10.604 9.085 4.368 1.00 0.00 H new ATOM 0 HH11 ARG A 133 9.854 11.864 6.444 1.00 0.00 H new ATOM 0 HH12 ARG A 133 11.055 12.896 5.662 1.00 0.00 H new ATOM 0 HH21 ARG A 133 12.167 10.396 3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 133 12.357 12.070 3.969 1.00 0.00 H new ATOM 2123 N SER A 134 5.461 7.991 2.438 1.00 0.00 N ATOM 2124 CA SER A 134 5.231 7.462 1.104 1.00 0.00 C ATOM 2125 C SER A 134 3.877 7.930 0.561 1.00 0.00 C ATOM 2126 O SER A 134 3.800 8.431 -0.563 1.00 0.00 O ATOM 2127 CB SER A 134 5.324 5.933 1.157 1.00 0.00 C ATOM 2128 OG SER A 134 6.571 5.533 1.704 1.00 0.00 O ATOM 0 H SER A 134 5.571 7.268 3.149 1.00 0.00 H new ATOM 0 HA SER A 134 5.992 7.837 0.420 1.00 0.00 H new ATOM 0 HB2 SER A 134 4.509 5.533 1.761 1.00 0.00 H new ATOM 0 HB3 SER A 134 5.210 5.520 0.155 1.00 0.00 H new ATOM 0 HG SER A 134 6.534 5.595 2.681 1.00 0.00 H new ATOM 2134 N ALA A 135 2.822 7.834 1.375 1.00 0.00 N ATOM 2135 CA ALA A 135 1.478 8.236 0.989 1.00 0.00 C ATOM 2136 C ALA A 135 1.405 9.739 0.736 1.00 0.00 C ATOM 2137 O ALA A 135 0.827 10.169 -0.263 1.00 0.00 O ATOM 2138 CB ALA A 135 0.492 7.857 2.098 1.00 0.00 C ATOM 0 H ALA A 135 2.883 7.472 2.326 1.00 0.00 H new ATOM 0 HA ALA A 135 1.218 7.719 0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.515 8.158 1.808 1.00 0.00 H new ATOM 0 HB2 ALA A 135 0.517 6.779 2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.771 8.364 3.022 1.00 0.00 H new ATOM 2144 N ARG A 136 1.996 10.543 1.626 1.00 0.00 N ATOM 2145 CA ARG A 136 1.990 11.991 1.488 1.00 0.00 C ATOM 2146 C ARG A 136 2.748 12.389 0.231 1.00 0.00 C ATOM 2147 O ARG A 136 2.313 13.300 -0.461 1.00 0.00 O ATOM 2148 CB ARG A 136 2.591 12.632 2.750 1.00 0.00 C ATOM 2149 CG ARG A 136 2.354 14.149 2.794 1.00 0.00 C ATOM 2150 CD ARG A 136 2.877 14.732 4.112 1.00 0.00 C ATOM 2151 NE ARG A 136 2.615 16.180 4.206 1.00 0.00 N ATOM 2152 CZ ARG A 136 2.877 16.951 5.270 1.00 0.00 C ATOM 2153 NH1 ARG A 136 3.424 16.432 6.367 1.00 0.00 N ATOM 2154 NH2 ARG A 136 2.588 18.247 5.230 1.00 0.00 N ATOM 0 H ARG A 136 2.487 10.205 2.454 1.00 0.00 H new ATOM 0 HA ARG A 136 0.967 12.354 1.386 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.152 12.171 3.635 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.662 12.431 2.784 1.00 0.00 H new ATOM 0 HG2 ARG A 136 2.856 14.627 1.953 1.00 0.00 H new ATOM 0 HG3 ARG A 136 1.290 14.361 2.692 1.00 0.00 H new ATOM 0 HD2 ARG A 136 2.403 14.221 4.950 1.00 0.00 H new ATOM 0 HD3 ARG A 136 3.949 14.549 4.192 1.00 0.00 H new ATOM 0 HE ARG A 136 2.199 16.633 3.392 1.00 0.00 H new ATOM 0 HH11 ARG A 136 3.648 15.438 6.404 1.00 0.00 H new ATOM 0 HH12 ARG A 136 3.619 17.029 7.171 1.00 0.00 H new ATOM 0 HH21 ARG A 136 2.169 18.650 4.392 1.00 0.00 H new ATOM 0 HH22 ARG A 136 2.785 18.839 6.037 1.00 0.00 H new ATOM 2168 N GLN A 137 3.851 11.715 -0.097 1.00 0.00 N ATOM 2169 CA GLN A 137 4.636 12.026 -1.279 1.00 0.00 C ATOM 2170 C GLN A 137 3.914 11.595 -2.562 1.00 0.00 C ATOM 2171 O GLN A 137 3.934 12.347 -3.535 1.00 0.00 O ATOM 2172 CB GLN A 137 6.036 11.419 -1.149 1.00 0.00 C ATOM 2173 CG GLN A 137 6.845 12.192 -0.089 1.00 0.00 C ATOM 2174 CD GLN A 137 8.175 11.539 0.286 1.00 0.00 C ATOM 2175 OE1 GLN A 137 8.290 10.325 0.430 1.00 0.00 O ATOM 2176 NE2 GLN A 137 9.209 12.341 0.474 1.00 0.00 N ATOM 0 H GLN A 137 4.220 10.939 0.453 1.00 0.00 H new ATOM 0 HA GLN A 137 4.754 13.107 -1.354 1.00 0.00 H new ATOM 0 HB2 GLN A 137 5.962 10.368 -0.868 1.00 0.00 H new ATOM 0 HB3 GLN A 137 6.549 11.457 -2.110 1.00 0.00 H new ATOM 0 HG2 GLN A 137 7.039 13.198 -0.460 1.00 0.00 H new ATOM 0 HG3 GLN A 137 6.238 12.295 0.810 1.00 0.00 H new ATOM 0 HE21 GLN A 137 9.102 13.348 0.352 1.00 0.00 H new ATOM 0 HE22 GLN A 137 10.114 11.953 0.741 1.00 0.00 H new ATOM 2185 N TRP A 138 3.204 10.459 -2.570 1.00 0.00 N ATOM 2186 CA TRP A 138 2.326 10.115 -3.689 1.00 0.00 C ATOM 2187 C TRP A 138 1.240 11.182 -3.877 1.00 0.00 C ATOM 2188 O TRP A 138 1.014 11.620 -5.007 1.00 0.00 O ATOM 2189 CB TRP A 138 1.731 8.708 -3.523 1.00 0.00 C ATOM 2190 CG TRP A 138 2.559 7.620 -4.140 1.00 0.00 C ATOM 2191 CD1 TRP A 138 3.422 6.805 -3.493 1.00 0.00 C ATOM 2192 CD2 TRP A 138 2.665 7.257 -5.553 1.00 0.00 C ATOM 2193 NE1 TRP A 138 4.064 5.987 -4.399 1.00 0.00 N ATOM 2194 CE2 TRP A 138 3.666 6.247 -5.690 1.00 0.00 C ATOM 2195 CE3 TRP A 138 2.052 7.715 -6.738 1.00 0.00 C ATOM 2196 CZ2 TRP A 138 4.062 5.743 -6.938 1.00 0.00 C ATOM 2197 CZ3 TRP A 138 2.429 7.205 -7.995 1.00 0.00 C ATOM 2198 CH2 TRP A 138 3.439 6.231 -8.098 1.00 0.00 C ATOM 0 H TRP A 138 3.222 9.769 -1.819 1.00 0.00 H new ATOM 0 HA TRP A 138 2.926 10.097 -4.599 1.00 0.00 H new ATOM 0 HB2 TRP A 138 1.609 8.499 -2.460 1.00 0.00 H new ATOM 0 HB3 TRP A 138 0.736 8.690 -3.968 1.00 0.00 H new ATOM 0 HD1 TRP A 138 3.585 6.796 -2.425 1.00 0.00 H new ATOM 0 HE1 TRP A 138 4.750 5.276 -4.143 1.00 0.00 H new ATOM 0 HE3 TRP A 138 1.281 8.469 -6.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 4.834 4.991 -7.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 1.939 7.564 -8.888 1.00 0.00 H new ATOM 0 HH2 TRP A 138 3.735 5.859 -9.068 1.00 0.00 H new ATOM 2209 N ALA A 139 0.612 11.651 -2.794 1.00 0.00 N ATOM 2210 CA ALA A 139 -0.360 12.734 -2.867 1.00 0.00 C ATOM 2211 C ALA A 139 0.290 14.034 -3.360 1.00 0.00 C ATOM 2212 O ALA A 139 -0.278 14.722 -4.203 1.00 0.00 O ATOM 2213 CB ALA A 139 -1.020 12.927 -1.497 1.00 0.00 C ATOM 0 H ALA A 139 0.765 11.291 -1.852 1.00 0.00 H new ATOM 0 HA ALA A 139 -1.129 12.467 -3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.747 13.738 -1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -1.525 12.007 -1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.258 13.174 -0.758 1.00 0.00 H new ATOM 2219 N GLN A 140 1.494 14.367 -2.887 1.00 0.00 N ATOM 2220 CA GLN A 140 2.240 15.554 -3.297 1.00 0.00 C ATOM 2221 C GLN A 140 2.480 15.524 -4.806 1.00 0.00 C ATOM 2222 O GLN A 140 2.353 16.561 -5.461 1.00 0.00 O ATOM 2223 CB GLN A 140 3.553 15.622 -2.487 1.00 0.00 C ATOM 2224 CG GLN A 140 4.431 16.869 -2.693 1.00 0.00 C ATOM 2225 CD GLN A 140 5.469 16.721 -3.813 1.00 0.00 C ATOM 2226 OE1 GLN A 140 6.596 16.293 -3.577 1.00 0.00 O ATOM 2227 NE2 GLN A 140 5.138 17.078 -5.044 1.00 0.00 N ATOM 0 H GLN A 140 1.986 13.804 -2.193 1.00 0.00 H new ATOM 0 HA GLN A 140 1.670 16.459 -3.088 1.00 0.00 H new ATOM 0 HB2 GLN A 140 3.303 15.554 -1.428 1.00 0.00 H new ATOM 0 HB3 GLN A 140 4.149 14.743 -2.731 1.00 0.00 H new ATOM 0 HG2 GLN A 140 3.789 17.721 -2.917 1.00 0.00 H new ATOM 0 HG3 GLN A 140 4.947 17.096 -1.760 1.00 0.00 H new ATOM 0 HE21 GLN A 140 4.202 17.433 -5.238 1.00 0.00 H new ATOM 0 HE22 GLN A 140 5.819 16.998 -5.799 1.00 0.00 H new ATOM 2236 N ALA A 141 2.816 14.355 -5.359 1.00 0.00 N ATOM 2237 CA ALA A 141 3.061 14.211 -6.784 1.00 0.00 C ATOM 2238 C ALA A 141 1.756 14.380 -7.557 1.00 0.00 C ATOM 2239 O ALA A 141 1.688 15.209 -8.462 1.00 0.00 O ATOM 2240 CB ALA A 141 3.693 12.848 -7.060 1.00 0.00 C ATOM 0 H ALA A 141 2.924 13.490 -4.829 1.00 0.00 H new ATOM 0 HA ALA A 141 3.753 14.985 -7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 141 3.876 12.742 -8.129 1.00 0.00 H new ATOM 0 HB2 ALA A 141 4.637 12.769 -6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 141 3.018 12.060 -6.727 1.00 0.00 H new ATOM 2246 N LEU A 142 0.707 13.642 -7.173 1.00 0.00 N ATOM 2247 CA LEU A 142 -0.616 13.726 -7.794 1.00 0.00 C ATOM 2248 C LEU A 142 -1.158 15.156 -7.777 1.00 0.00 C ATOM 2249 O LEU A 142 -1.710 15.614 -8.779 1.00 0.00 O ATOM 2250 CB LEU A 142 -1.600 12.778 -7.082 1.00 0.00 C ATOM 2251 CG LEU A 142 -1.453 11.296 -7.477 1.00 0.00 C ATOM 2252 CD1 LEU A 142 -2.323 10.422 -6.564 1.00 0.00 C ATOM 2253 CD2 LEU A 142 -1.869 11.064 -8.936 1.00 0.00 C ATOM 0 H LEU A 142 0.756 12.963 -6.414 1.00 0.00 H new ATOM 0 HA LEU A 142 -0.512 13.422 -8.835 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -1.460 12.870 -6.005 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -2.618 13.100 -7.300 1.00 0.00 H new ATOM 0 HG LEU A 142 -0.403 11.025 -7.365 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -2.214 9.376 -6.850 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -2.007 10.550 -5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -3.367 10.718 -6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -1.754 10.009 -9.184 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -2.911 11.356 -9.068 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -1.238 11.662 -9.594 1.00 0.00 H new