USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 888 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 65 GLN : amide:sc= 0 X(o=-0.003,f=-0.003) USER MOD Set 1.2: A 103 TYR OH : rot 180:sc=-0.00296 USER MOD Set 2.1: A 6 CYS SG : rot 60:sc= 0.471 USER MOD Set 2.2: A 106 MET CE :methyl 160:sc= -0.109 (180deg=-0.497) USER MOD Single : A 1 GLU N :NH3+ -173:sc= 0 (180deg=-0.0298) USER MOD Single : A 2 GLN : amide:sc= -0.0513 K(o=-0.051,f=-1.1!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 7 ASN : amide:sc= -0.0182 X(o=-0.018,f=-0.29) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.628 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.0751 X(o=-0.075,f=0) USER MOD Single : A 21 TYR OH : rot 165:sc= -0.212 USER MOD Single : A 26 TYR OH : rot 30:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.809 USER MOD Single : A 40 HIS : no HD1:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 44 LYS NZ :NH3+ -135:sc= 0.485 (180deg=-0.0307) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 MET CE :methyl 162:sc= -0.149 (180deg=-0.529) USER MOD Single : A 50 SER OG : rot 90:sc= 0.424 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -139:sc= -1.83 (180deg=-4.22!) USER MOD Single : A 58 ASN : amide:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : A 61 TYR OH : rot 120:sc= -1.04 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -2.65! C(o=-2.7!,f=-4.9!) USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.426 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.2) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 91 MET CE :methyl 155:sc= 0 (180deg=-0.917) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 105 LYS NZ :NH3+ -153:sc= -0.0525 (180deg=-0.373) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -15.544 11.610 -0.070 1.00 0.00 N ATOM 2 CA GLU A 1 -14.927 10.852 -1.194 1.00 0.00 C ATOM 3 C GLU A 1 -13.561 10.290 -0.799 1.00 0.00 C ATOM 4 O GLU A 1 -12.519 10.798 -1.222 1.00 0.00 O ATOM 5 CB GLU A 1 -14.786 11.786 -2.400 1.00 0.00 C ATOM 6 CG GLU A 1 -16.091 12.034 -3.141 1.00 0.00 C ATOM 7 CD GLU A 1 -15.982 13.163 -4.146 1.00 0.00 C ATOM 8 OE1 GLU A 1 -15.487 12.916 -5.266 1.00 0.00 O ATOM 9 OE2 GLU A 1 -16.388 14.296 -3.813 1.00 0.00 O ATOM 0 H1 GLU A 1 -16.516 11.878 -0.324 1.00 0.00 H new ATOM 0 H2 GLU A 1 -15.561 11.015 0.783 1.00 0.00 H new ATOM 0 H3 GLU A 1 -14.987 12.468 0.118 1.00 0.00 H new ATOM 0 HA GLU A 1 -15.569 10.008 -1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -14.383 12.741 -2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -14.060 11.361 -3.094 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -16.392 11.122 -3.656 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -16.875 12.267 -2.421 1.00 0.00 H new ATOM 18 N GLN A 2 -13.575 9.234 0.012 1.00 0.00 N ATOM 19 CA GLN A 2 -12.341 8.592 0.466 1.00 0.00 C ATOM 20 C GLN A 2 -11.562 7.980 -0.703 1.00 0.00 C ATOM 21 O GLN A 2 -10.347 7.799 -0.612 1.00 0.00 O ATOM 22 CB GLN A 2 -12.649 7.516 1.512 1.00 0.00 C ATOM 23 CG GLN A 2 -12.575 8.021 2.946 1.00 0.00 C ATOM 24 CD GLN A 2 -13.909 8.534 3.459 1.00 0.00 C ATOM 25 OE1 GLN A 2 -14.964 7.990 3.133 1.00 0.00 O ATOM 26 NE2 GLN A 2 -13.868 9.588 4.267 1.00 0.00 N ATOM 0 H GLN A 2 -14.428 8.804 0.369 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.718 9.363 0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -13.646 7.117 1.327 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.947 6.691 1.390 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.228 7.215 3.593 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -11.836 8.820 3.007 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.971 10.008 4.512 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -14.733 9.977 4.643 1.00 0.00 H new ATOM 35 N LEU A 3 -12.262 7.669 -1.800 1.00 0.00 N ATOM 36 CA LEU A 3 -11.622 7.087 -2.983 1.00 0.00 C ATOM 37 C LEU A 3 -10.493 7.988 -3.489 1.00 0.00 C ATOM 38 O LEU A 3 -9.416 7.505 -3.833 1.00 0.00 O ATOM 39 CB LEU A 3 -12.653 6.870 -4.098 1.00 0.00 C ATOM 40 CG LEU A 3 -12.922 5.408 -4.475 1.00 0.00 C ATOM 41 CD1 LEU A 3 -13.945 5.332 -5.600 1.00 0.00 C ATOM 42 CD2 LEU A 3 -11.632 4.708 -4.880 1.00 0.00 C ATOM 0 H LEU A 3 -13.268 7.810 -1.892 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.199 6.124 -2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.594 7.327 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.316 7.400 -4.989 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.326 4.897 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -14.126 4.288 -5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -14.878 5.793 -5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -13.564 5.860 -6.474 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.847 3.672 -5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.196 5.218 -5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.928 4.732 -4.048 1.00 0.00 H new ATOM 54 N LYS A 4 -10.746 9.298 -3.526 1.00 0.00 N ATOM 55 CA LYS A 4 -9.744 10.262 -3.983 1.00 0.00 C ATOM 56 C LYS A 4 -8.593 10.373 -2.982 1.00 0.00 C ATOM 57 O LYS A 4 -7.443 10.576 -3.372 1.00 0.00 O ATOM 58 CB LYS A 4 -10.385 11.637 -4.203 1.00 0.00 C ATOM 59 CG LYS A 4 -9.506 12.609 -4.980 1.00 0.00 C ATOM 60 CD LYS A 4 -10.199 13.949 -5.187 1.00 0.00 C ATOM 61 CE LYS A 4 -9.908 14.525 -6.566 1.00 0.00 C ATOM 62 NZ LYS A 4 -9.871 16.016 -6.554 1.00 0.00 N ATOM 0 H LYS A 4 -11.634 9.714 -3.246 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.341 9.904 -4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.327 11.507 -4.737 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.626 12.074 -3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.570 12.762 -4.444 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.252 12.177 -5.948 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.275 13.825 -5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.869 14.652 -4.422 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.953 14.142 -6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.670 14.187 -7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.670 16.366 -7.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.791 16.384 -6.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.126 16.340 -5.904 1.00 0.00 H new ATOM 76 N HIS A 5 -8.910 10.235 -1.691 1.00 0.00 N ATOM 77 CA HIS A 5 -7.900 10.318 -0.636 1.00 0.00 C ATOM 78 C HIS A 5 -6.816 9.260 -0.837 1.00 0.00 C ATOM 79 O HIS A 5 -5.625 9.554 -0.722 1.00 0.00 O ATOM 80 CB HIS A 5 -8.545 10.144 0.743 1.00 0.00 C ATOM 81 CG HIS A 5 -8.905 11.437 1.406 1.00 0.00 C ATOM 82 ND1 HIS A 5 -8.319 11.873 2.578 1.00 0.00 N ATOM 83 CD2 HIS A 5 -9.803 12.391 1.061 1.00 0.00 C ATOM 84 CE1 HIS A 5 -8.842 13.036 2.923 1.00 0.00 C ATOM 85 NE2 HIS A 5 -9.742 13.373 2.019 1.00 0.00 N ATOM 0 H HIS A 5 -9.857 10.066 -1.353 1.00 0.00 H new ATOM 0 HA HIS A 5 -7.440 11.305 -0.690 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -9.444 9.536 0.640 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -7.860 9.593 1.388 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -10.447 12.381 0.194 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -8.578 13.613 3.797 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -10.302 14.225 2.030 1.00 0.00 H new ATOM 94 N CYS A 6 -7.237 8.030 -1.148 1.00 0.00 N ATOM 95 CA CYS A 6 -6.299 6.932 -1.378 1.00 0.00 C ATOM 96 C CYS A 6 -5.377 7.253 -2.554 1.00 0.00 C ATOM 97 O CYS A 6 -4.182 6.954 -2.517 1.00 0.00 O ATOM 98 CB CYS A 6 -7.050 5.621 -1.649 1.00 0.00 C ATOM 99 SG CYS A 6 -8.300 5.203 -0.409 1.00 0.00 S ATOM 0 H CYS A 6 -8.219 7.772 -1.246 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.697 6.810 -0.478 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -7.532 5.688 -2.624 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -6.327 4.808 -1.706 1.00 0.00 H new ATOM 0 HG CYS A 6 -9.196 6.144 -0.362 1.00 0.00 H new ATOM 105 N ASN A 7 -5.942 7.871 -3.594 1.00 0.00 N ATOM 106 CA ASN A 7 -5.177 8.243 -4.782 1.00 0.00 C ATOM 107 C ASN A 7 -4.109 9.281 -4.447 1.00 0.00 C ATOM 108 O ASN A 7 -2.988 9.210 -4.953 1.00 0.00 O ATOM 109 CB ASN A 7 -6.108 8.783 -5.871 1.00 0.00 C ATOM 110 CG ASN A 7 -6.907 7.682 -6.542 1.00 0.00 C ATOM 111 OD1 ASN A 7 -7.663 6.964 -5.888 1.00 0.00 O ATOM 112 ND2 ASN A 7 -6.743 7.539 -7.851 1.00 0.00 N ATOM 0 H ASN A 7 -6.929 8.124 -3.635 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.679 7.347 -5.152 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.792 9.510 -5.434 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.519 9.310 -6.621 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.254 6.812 -8.353 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.106 8.156 -8.356 1.00 0.00 H new ATOM 119 N VAL A 8 -4.460 10.244 -3.592 1.00 0.00 N ATOM 120 CA VAL A 8 -3.520 11.290 -3.194 1.00 0.00 C ATOM 121 C VAL A 8 -2.283 10.684 -2.533 1.00 0.00 C ATOM 122 O VAL A 8 -1.153 11.048 -2.861 1.00 0.00 O ATOM 123 CB VAL A 8 -4.159 12.311 -2.227 1.00 0.00 C ATOM 124 CG1 VAL A 8 -3.214 13.479 -1.982 1.00 0.00 C ATOM 125 CG2 VAL A 8 -5.497 12.804 -2.765 1.00 0.00 C ATOM 0 H VAL A 8 -5.383 10.320 -3.165 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.233 11.813 -4.106 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.341 11.811 -1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.681 14.188 -1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.286 13.111 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.997 13.976 -2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.928 13.522 -2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.346 13.284 -3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.176 11.959 -2.882 1.00 0.00 H new ATOM 135 N ILE A 9 -2.504 9.750 -1.608 1.00 0.00 N ATOM 136 CA ILE A 9 -1.403 9.090 -0.914 1.00 0.00 C ATOM 137 C ILE A 9 -0.576 8.251 -1.889 1.00 0.00 C ATOM 138 O ILE A 9 0.652 8.212 -1.798 1.00 0.00 O ATOM 139 CB ILE A 9 -1.912 8.196 0.239 1.00 0.00 C ATOM 140 CG1 ILE A 9 -2.845 8.994 1.158 1.00 0.00 C ATOM 141 CG2 ILE A 9 -0.740 7.628 1.030 1.00 0.00 C ATOM 142 CD1 ILE A 9 -3.520 8.151 2.219 1.00 0.00 C ATOM 0 H ILE A 9 -3.432 9.436 -1.324 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.774 9.872 -0.489 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.473 7.364 -0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.273 9.785 1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.609 9.480 0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.116 7.001 1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.111 7.031 0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.153 8.446 1.449 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.164 8.783 2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.120 7.376 1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.763 7.686 2.850 1.00 0.00 H new ATOM 154 N LEU A 10 -1.258 7.596 -2.832 1.00 0.00 N ATOM 155 CA LEU A 10 -0.592 6.771 -3.840 1.00 0.00 C ATOM 156 C LEU A 10 0.390 7.613 -4.659 1.00 0.00 C ATOM 157 O LEU A 10 1.502 7.172 -4.955 1.00 0.00 O ATOM 158 CB LEU A 10 -1.631 6.128 -4.770 1.00 0.00 C ATOM 159 CG LEU A 10 -1.360 4.672 -5.173 1.00 0.00 C ATOM 160 CD1 LEU A 10 -0.021 4.544 -5.887 1.00 0.00 C ATOM 161 CD2 LEU A 10 -1.410 3.757 -3.957 1.00 0.00 C ATOM 0 H LEU A 10 -2.274 7.622 -2.917 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.037 5.984 -3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.605 6.174 -4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.700 6.729 -5.677 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.143 4.364 -5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.147 3.503 -6.162 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.028 5.160 -6.786 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.778 4.878 -5.225 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.215 2.730 -4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.654 4.069 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.396 3.816 -3.497 1.00 0.00 H new ATOM 173 N LYS A 11 -0.034 8.827 -5.021 1.00 0.00 N ATOM 174 CA LYS A 11 0.799 9.737 -5.804 1.00 0.00 C ATOM 175 C LYS A 11 2.054 10.143 -5.029 1.00 0.00 C ATOM 176 O LYS A 11 3.139 10.227 -5.602 1.00 0.00 O ATOM 177 CB LYS A 11 0.001 10.985 -6.199 1.00 0.00 C ATOM 178 CG LYS A 11 -0.869 10.794 -7.434 1.00 0.00 C ATOM 179 CD LYS A 11 -1.804 11.976 -7.648 1.00 0.00 C ATOM 180 CE LYS A 11 -2.502 11.901 -8.999 1.00 0.00 C ATOM 181 NZ LYS A 11 -3.426 13.051 -9.219 1.00 0.00 N ATOM 0 H LYS A 11 -0.952 9.201 -4.782 1.00 0.00 H new ATOM 0 HA LYS A 11 1.110 9.212 -6.707 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.632 11.280 -5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.695 11.806 -6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.234 10.668 -8.311 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.454 9.880 -7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.550 11.999 -6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.238 12.905 -7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.754 11.881 -9.792 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.063 10.969 -9.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.879 12.959 -10.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.156 13.057 -8.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.888 13.940 -9.182 1.00 0.00 H new ATOM 195 N GLU A 12 1.902 10.394 -3.726 1.00 0.00 N ATOM 196 CA GLU A 12 3.032 10.792 -2.884 1.00 0.00 C ATOM 197 C GLU A 12 4.019 9.639 -2.699 1.00 0.00 C ATOM 198 O GLU A 12 5.231 9.831 -2.808 1.00 0.00 O ATOM 199 CB GLU A 12 2.542 11.282 -1.517 1.00 0.00 C ATOM 200 CG GLU A 12 3.585 12.079 -0.748 1.00 0.00 C ATOM 201 CD GLU A 12 3.906 13.409 -1.403 1.00 0.00 C ATOM 202 OE1 GLU A 12 4.793 13.440 -2.283 1.00 0.00 O ATOM 203 OE2 GLU A 12 3.270 14.419 -1.037 1.00 0.00 O ATOM 0 H GLU A 12 1.011 10.329 -3.233 1.00 0.00 H new ATOM 0 HA GLU A 12 3.547 11.608 -3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.655 11.900 -1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.240 10.422 -0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.226 12.255 0.266 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.498 11.490 -0.665 1.00 0.00 H new ATOM 210 N LEU A 13 3.493 8.443 -2.422 1.00 0.00 N ATOM 211 CA LEU A 13 4.332 7.259 -2.223 1.00 0.00 C ATOM 212 C LEU A 13 5.162 6.952 -3.472 1.00 0.00 C ATOM 213 O LEU A 13 6.287 6.461 -3.371 1.00 0.00 O ATOM 214 CB LEU A 13 3.472 6.043 -1.860 1.00 0.00 C ATOM 215 CG LEU A 13 2.762 6.123 -0.504 1.00 0.00 C ATOM 216 CD1 LEU A 13 1.766 4.981 -0.358 1.00 0.00 C ATOM 217 CD2 LEU A 13 3.775 6.103 0.635 1.00 0.00 C ATOM 0 H LEU A 13 2.492 8.269 -2.331 1.00 0.00 H new ATOM 0 HA LEU A 13 5.013 7.473 -1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.720 5.905 -2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.105 5.156 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 13 2.215 7.065 -0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.270 5.052 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.022 5.043 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.292 4.029 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.251 6.161 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.352 5.179 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.448 6.955 0.539 1.00 0.00 H new ATOM 229 N LEU A 14 4.600 7.244 -4.646 1.00 0.00 N ATOM 230 CA LEU A 14 5.286 6.999 -5.913 1.00 0.00 C ATOM 231 C LEU A 14 6.066 8.234 -6.390 1.00 0.00 C ATOM 232 O LEU A 14 6.999 8.110 -7.183 1.00 0.00 O ATOM 233 CB LEU A 14 4.275 6.586 -6.987 1.00 0.00 C ATOM 234 CG LEU A 14 3.955 5.089 -7.055 1.00 0.00 C ATOM 235 CD1 LEU A 14 3.487 4.574 -5.701 1.00 0.00 C ATOM 236 CD2 LEU A 14 2.903 4.818 -8.124 1.00 0.00 C ATOM 0 H LEU A 14 3.670 7.651 -4.744 1.00 0.00 H new ATOM 0 HA LEU A 14 6.000 6.193 -5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.346 7.130 -6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.654 6.903 -7.959 1.00 0.00 H new ATOM 0 HG LEU A 14 4.867 4.556 -7.324 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.266 3.509 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.271 4.732 -4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.588 5.112 -5.398 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.687 3.750 -8.160 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.991 5.365 -7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.277 5.145 -9.094 1.00 0.00 H new ATOM 248 N SER A 15 5.667 9.422 -5.919 1.00 0.00 N ATOM 249 CA SER A 15 6.318 10.675 -6.315 1.00 0.00 C ATOM 250 C SER A 15 7.784 10.720 -5.877 1.00 0.00 C ATOM 251 O SER A 15 8.688 10.547 -6.697 1.00 0.00 O ATOM 252 CB SER A 15 5.556 11.875 -5.736 1.00 0.00 C ATOM 253 OG SER A 15 6.305 13.075 -5.855 1.00 0.00 O ATOM 0 H SER A 15 4.895 9.541 -5.262 1.00 0.00 H new ATOM 0 HA SER A 15 6.298 10.725 -7.404 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.604 11.987 -6.254 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.328 11.690 -4.686 1.00 0.00 H new ATOM 0 HG SER A 15 5.791 13.820 -5.479 1.00 0.00 H new ATOM 259 N LYS A 16 8.015 10.966 -4.587 1.00 0.00 N ATOM 260 CA LYS A 16 9.371 11.042 -4.049 1.00 0.00 C ATOM 261 C LYS A 16 9.365 10.935 -2.527 1.00 0.00 C ATOM 262 O LYS A 16 8.320 11.082 -1.891 1.00 0.00 O ATOM 263 CB LYS A 16 10.049 12.350 -4.476 1.00 0.00 C ATOM 264 CG LYS A 16 9.201 13.590 -4.237 1.00 0.00 C ATOM 265 CD LYS A 16 10.004 14.865 -4.446 1.00 0.00 C ATOM 266 CE LYS A 16 9.166 15.955 -5.098 1.00 0.00 C ATOM 267 NZ LYS A 16 9.540 17.318 -4.620 1.00 0.00 N ATOM 0 H LYS A 16 7.280 11.116 -3.896 1.00 0.00 H new ATOM 0 HA LYS A 16 9.935 10.201 -4.453 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.989 12.454 -3.934 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.297 12.290 -5.536 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.346 13.583 -4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.805 13.571 -3.222 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.380 15.220 -3.487 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.872 14.651 -5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.288 15.906 -6.180 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.112 15.775 -4.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.943 18.027 -5.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.399 17.376 -3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.539 17.502 -4.844 1.00 0.00 H new ATOM 281 N LYS A 17 10.544 10.661 -1.956 1.00 0.00 N ATOM 282 CA LYS A 17 10.722 10.513 -0.509 1.00 0.00 C ATOM 283 C LYS A 17 10.336 9.106 -0.045 1.00 0.00 C ATOM 284 O LYS A 17 10.945 8.562 0.878 1.00 0.00 O ATOM 285 CB LYS A 17 9.921 11.563 0.270 1.00 0.00 C ATOM 286 CG LYS A 17 9.980 12.967 -0.322 1.00 0.00 C ATOM 287 CD LYS A 17 10.854 13.887 0.514 1.00 0.00 C ATOM 288 CE LYS A 17 12.200 14.131 -0.151 1.00 0.00 C ATOM 289 NZ LYS A 17 13.221 14.627 0.816 1.00 0.00 N ATOM 0 H LYS A 17 11.405 10.535 -2.489 1.00 0.00 H new ATOM 0 HA LYS A 17 11.780 10.670 -0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.879 11.246 0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.291 11.598 1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.369 12.918 -1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.973 13.379 -0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.343 14.838 0.665 1.00 0.00 H new ATOM 0 HD3 LYS A 17 11.008 13.448 1.500 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.552 13.205 -0.606 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.080 14.857 -0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.123 14.780 0.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.898 15.524 1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.355 13.924 1.570 1.00 0.00 H new ATOM 303 N HIS A 18 9.328 8.522 -0.695 1.00 0.00 N ATOM 304 CA HIS A 18 8.861 7.177 -0.360 1.00 0.00 C ATOM 305 C HIS A 18 8.966 6.226 -1.559 1.00 0.00 C ATOM 306 O HIS A 18 8.653 5.039 -1.442 1.00 0.00 O ATOM 307 CB HIS A 18 7.417 7.228 0.138 1.00 0.00 C ATOM 308 CG HIS A 18 7.244 8.052 1.375 1.00 0.00 C ATOM 309 ND1 HIS A 18 7.391 7.539 2.646 1.00 0.00 N ATOM 310 CD2 HIS A 18 6.944 9.364 1.531 1.00 0.00 C ATOM 311 CE1 HIS A 18 7.185 8.498 3.531 1.00 0.00 C ATOM 312 NE2 HIS A 18 6.913 9.614 2.881 1.00 0.00 N ATOM 0 H HIS A 18 8.818 8.963 -1.460 1.00 0.00 H new ATOM 0 HA HIS A 18 9.505 6.792 0.431 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.783 7.632 -0.651 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.072 6.213 0.335 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.763 10.079 0.742 1.00 0.00 H new ATOM 0 HE1 HIS A 18 7.231 8.388 4.604 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.712 10.516 3.312 1.00 0.00 H new ATOM 321 N ALA A 19 9.416 6.746 -2.707 1.00 0.00 N ATOM 322 CA ALA A 19 9.568 5.934 -3.912 1.00 0.00 C ATOM 323 C ALA A 19 10.571 4.801 -3.696 1.00 0.00 C ATOM 324 O ALA A 19 10.477 3.756 -4.340 1.00 0.00 O ATOM 325 CB ALA A 19 10.002 6.798 -5.089 1.00 0.00 C ATOM 0 H ALA A 19 9.680 7.724 -2.823 1.00 0.00 H new ATOM 0 HA ALA A 19 8.597 5.491 -4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.110 6.175 -5.977 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.251 7.566 -5.273 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.957 7.272 -4.860 1.00 0.00 H new ATOM 331 N ALA A 20 11.527 5.014 -2.784 1.00 0.00 N ATOM 332 CA ALA A 20 12.544 4.006 -2.481 1.00 0.00 C ATOM 333 C ALA A 20 11.911 2.673 -2.078 1.00 0.00 C ATOM 334 O ALA A 20 12.454 1.609 -2.373 1.00 0.00 O ATOM 335 CB ALA A 20 13.482 4.503 -1.389 1.00 0.00 C ATOM 0 H ALA A 20 11.616 5.875 -2.245 1.00 0.00 H new ATOM 0 HA ALA A 20 13.123 3.837 -3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.231 3.740 -1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.977 5.415 -1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.910 4.710 -0.485 1.00 0.00 H new ATOM 341 N TYR A 21 10.755 2.738 -1.414 1.00 0.00 N ATOM 342 CA TYR A 21 10.044 1.532 -0.990 1.00 0.00 C ATOM 343 C TYR A 21 8.909 1.191 -1.968 1.00 0.00 C ATOM 344 O TYR A 21 8.279 0.136 -1.855 1.00 0.00 O ATOM 345 CB TYR A 21 9.469 1.705 0.423 1.00 0.00 C ATOM 346 CG TYR A 21 10.296 2.581 1.346 1.00 0.00 C ATOM 347 CD1 TYR A 21 11.685 2.511 1.353 1.00 0.00 C ATOM 348 CD2 TYR A 21 9.682 3.477 2.212 1.00 0.00 C ATOM 349 CE1 TYR A 21 12.435 3.305 2.199 1.00 0.00 C ATOM 350 CE2 TYR A 21 10.425 4.274 3.059 1.00 0.00 C ATOM 351 CZ TYR A 21 11.800 4.185 3.048 1.00 0.00 C ATOM 352 OH TYR A 21 12.542 4.980 3.892 1.00 0.00 O ATOM 0 H TYR A 21 10.293 3.611 -1.159 1.00 0.00 H new ATOM 0 HA TYR A 21 10.763 0.712 -0.983 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.468 2.130 0.343 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.362 0.721 0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 21 12.186 1.825 0.686 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.605 3.551 2.223 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.513 3.236 2.195 1.00 0.00 H new ATOM 0 HE2 TYR A 21 9.931 4.964 3.727 1.00 0.00 H new ATOM 0 HH TYR A 21 11.977 5.700 4.244 1.00 0.00 H new ATOM 362 N ALA A 22 8.650 2.090 -2.926 1.00 0.00 N ATOM 363 CA ALA A 22 7.591 1.889 -3.912 1.00 0.00 C ATOM 364 C ALA A 22 8.049 1.024 -5.085 1.00 0.00 C ATOM 365 O ALA A 22 7.322 0.128 -5.508 1.00 0.00 O ATOM 366 CB ALA A 22 7.084 3.230 -4.421 1.00 0.00 C ATOM 0 H ALA A 22 9.163 2.965 -3.036 1.00 0.00 H new ATOM 0 HA ALA A 22 6.781 1.359 -3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.295 3.066 -5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.689 3.810 -3.587 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.904 3.776 -4.886 1.00 0.00 H new ATOM 372 N TRP A 23 9.247 1.294 -5.618 1.00 0.00 N ATOM 373 CA TRP A 23 9.760 0.522 -6.753 1.00 0.00 C ATOM 374 C TRP A 23 9.958 -0.963 -6.411 1.00 0.00 C ATOM 375 O TRP A 23 9.732 -1.821 -7.266 1.00 0.00 O ATOM 376 CB TRP A 23 11.061 1.127 -7.306 1.00 0.00 C ATOM 377 CG TRP A 23 12.214 1.111 -6.349 1.00 0.00 C ATOM 378 CD1 TRP A 23 12.643 2.144 -5.569 1.00 0.00 C ATOM 379 CD2 TRP A 23 13.092 0.012 -6.077 1.00 0.00 C ATOM 380 NE1 TRP A 23 13.724 1.754 -4.821 1.00 0.00 N ATOM 381 CE2 TRP A 23 14.022 0.450 -5.117 1.00 0.00 C ATOM 382 CE3 TRP A 23 13.179 -1.301 -6.550 1.00 0.00 C ATOM 383 CZ2 TRP A 23 15.026 -0.379 -4.620 1.00 0.00 C ATOM 384 CZ3 TRP A 23 14.176 -2.122 -6.057 1.00 0.00 C ATOM 385 CH2 TRP A 23 15.087 -1.658 -5.101 1.00 0.00 C ATOM 0 H TRP A 23 9.870 2.030 -5.287 1.00 0.00 H new ATOM 0 HA TRP A 23 8.998 0.578 -7.530 1.00 0.00 H new ATOM 0 HB2 TRP A 23 11.346 0.582 -8.206 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.868 2.157 -7.605 1.00 0.00 H new ATOM 0 HD1 TRP A 23 12.196 3.127 -5.544 1.00 0.00 H new ATOM 0 HE1 TRP A 23 14.225 2.340 -4.153 1.00 0.00 H new ATOM 0 HE3 TRP A 23 12.480 -1.667 -7.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 15.730 -0.024 -3.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 14.253 -3.138 -6.415 1.00 0.00 H new ATOM 0 HH2 TRP A 23 15.854 -2.324 -4.735 1.00 0.00 H new ATOM 396 N PRO A 24 10.372 -1.305 -5.165 1.00 0.00 N ATOM 397 CA PRO A 24 10.574 -2.702 -4.766 1.00 0.00 C ATOM 398 C PRO A 24 9.254 -3.461 -4.665 1.00 0.00 C ATOM 399 O PRO A 24 9.138 -4.583 -5.160 1.00 0.00 O ATOM 400 CB PRO A 24 11.241 -2.613 -3.385 1.00 0.00 C ATOM 401 CG PRO A 24 11.611 -1.180 -3.204 1.00 0.00 C ATOM 402 CD PRO A 24 10.664 -0.389 -4.057 1.00 0.00 C ATOM 0 HA PRO A 24 11.174 -3.243 -5.497 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.561 -2.943 -2.600 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.121 -3.254 -3.334 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.529 -0.887 -2.157 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.644 -1.004 -3.504 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.761 -0.116 -3.511 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.116 0.538 -4.409 1.00 0.00 H new ATOM 410 N PHE A 25 8.260 -2.842 -4.024 1.00 0.00 N ATOM 411 CA PHE A 25 6.947 -3.465 -3.865 1.00 0.00 C ATOM 412 C PHE A 25 6.061 -3.254 -5.101 1.00 0.00 C ATOM 413 O PHE A 25 4.966 -3.814 -5.182 1.00 0.00 O ATOM 414 CB PHE A 25 6.248 -2.919 -2.615 1.00 0.00 C ATOM 415 CG PHE A 25 6.953 -3.264 -1.328 1.00 0.00 C ATOM 416 CD1 PHE A 25 7.342 -4.568 -1.062 1.00 0.00 C ATOM 417 CD2 PHE A 25 7.228 -2.283 -0.388 1.00 0.00 C ATOM 418 CE1 PHE A 25 7.989 -4.887 0.118 1.00 0.00 C ATOM 419 CE2 PHE A 25 7.875 -2.596 0.793 1.00 0.00 C ATOM 420 CZ PHE A 25 8.257 -3.899 1.046 1.00 0.00 C ATOM 0 H PHE A 25 8.340 -1.914 -3.609 1.00 0.00 H new ATOM 0 HA PHE A 25 7.104 -4.537 -3.750 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.170 -1.835 -2.697 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.231 -3.310 -2.578 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.137 -5.344 -1.785 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.933 -1.262 -0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.284 -5.907 0.314 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.082 -1.822 1.517 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.764 -4.145 1.967 1.00 0.00 H new ATOM 430 N TYR A 26 6.537 -2.452 -6.062 1.00 0.00 N ATOM 431 CA TYR A 26 5.784 -2.180 -7.285 1.00 0.00 C ATOM 432 C TYR A 26 5.587 -3.455 -8.100 1.00 0.00 C ATOM 433 O TYR A 26 4.455 -3.867 -8.355 1.00 0.00 O ATOM 434 CB TYR A 26 6.512 -1.135 -8.137 1.00 0.00 C ATOM 435 CG TYR A 26 5.592 -0.136 -8.802 1.00 0.00 C ATOM 436 CD1 TYR A 26 4.767 -0.509 -9.856 1.00 0.00 C ATOM 437 CD2 TYR A 26 5.558 1.187 -8.379 1.00 0.00 C ATOM 438 CE1 TYR A 26 3.933 0.408 -10.468 1.00 0.00 C ATOM 439 CE2 TYR A 26 4.729 2.108 -8.986 1.00 0.00 C ATOM 440 CZ TYR A 26 3.919 1.715 -10.029 1.00 0.00 C ATOM 441 OH TYR A 26 3.093 2.632 -10.639 1.00 0.00 O ATOM 0 H TYR A 26 7.441 -1.982 -6.013 1.00 0.00 H new ATOM 0 HA TYR A 26 4.806 -1.794 -6.997 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.221 -0.598 -7.507 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.092 -1.647 -8.905 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.777 -1.532 -10.203 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.191 1.500 -7.562 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.296 0.103 -11.285 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.715 3.133 -8.645 1.00 0.00 H new ATOM 0 HH TYR A 26 2.296 2.177 -10.982 1.00 0.00 H new ATOM 451 N LYS A 27 6.701 -4.068 -8.508 1.00 0.00 N ATOM 452 CA LYS A 27 6.663 -5.296 -9.304 1.00 0.00 C ATOM 453 C LYS A 27 5.864 -6.394 -8.600 1.00 0.00 C ATOM 454 O LYS A 27 6.015 -6.613 -7.396 1.00 0.00 O ATOM 455 CB LYS A 27 8.083 -5.796 -9.607 1.00 0.00 C ATOM 456 CG LYS A 27 8.983 -5.898 -8.381 1.00 0.00 C ATOM 457 CD LYS A 27 10.012 -4.778 -8.348 1.00 0.00 C ATOM 458 CE LYS A 27 11.408 -5.287 -8.678 1.00 0.00 C ATOM 459 NZ LYS A 27 12.462 -4.601 -7.875 1.00 0.00 N ATOM 0 H LYS A 27 7.642 -3.733 -8.299 1.00 0.00 H new ATOM 0 HA LYS A 27 6.164 -5.058 -10.243 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.018 -6.776 -10.079 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.546 -5.124 -10.330 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.374 -5.860 -7.478 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.493 -6.861 -8.382 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.729 -4.003 -9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.017 -4.317 -7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.454 -6.360 -8.494 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.606 -5.136 -9.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.396 -4.979 -8.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.436 -3.580 -8.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.289 -4.765 -6.863 1.00 0.00 H new ATOM 473 N PRO A 28 4.996 -7.098 -9.353 1.00 0.00 N ATOM 474 CA PRO A 28 4.164 -8.176 -8.809 1.00 0.00 C ATOM 475 C PRO A 28 4.947 -9.470 -8.588 1.00 0.00 C ATOM 476 O PRO A 28 6.173 -9.498 -8.728 1.00 0.00 O ATOM 477 CB PRO A 28 3.097 -8.364 -9.891 1.00 0.00 C ATOM 478 CG PRO A 28 3.772 -7.971 -11.159 1.00 0.00 C ATOM 479 CD PRO A 28 4.756 -6.891 -10.797 1.00 0.00 C ATOM 0 HA PRO A 28 3.761 -7.929 -7.827 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.750 -9.397 -9.930 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.223 -7.742 -9.698 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.279 -8.824 -11.610 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.048 -7.609 -11.889 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.678 -6.981 -11.372 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.351 -5.899 -10.997 1.00 0.00 H new ATOM 487 N VAL A 29 4.232 -10.538 -8.238 1.00 0.00 N ATOM 488 CA VAL A 29 4.859 -11.831 -7.995 1.00 0.00 C ATOM 489 C VAL A 29 4.605 -12.787 -9.157 1.00 0.00 C ATOM 490 O VAL A 29 3.583 -13.477 -9.196 1.00 0.00 O ATOM 491 CB VAL A 29 4.359 -12.474 -6.685 1.00 0.00 C ATOM 492 CG1 VAL A 29 5.202 -13.694 -6.337 1.00 0.00 C ATOM 493 CG2 VAL A 29 4.374 -11.459 -5.547 1.00 0.00 C ATOM 0 H VAL A 29 3.219 -10.531 -8.117 1.00 0.00 H new ATOM 0 HA VAL A 29 5.930 -11.649 -7.903 1.00 0.00 H new ATOM 0 HB VAL A 29 3.329 -12.801 -6.831 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.837 -14.136 -5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.131 -14.426 -7.141 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.242 -13.393 -6.210 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.018 -11.933 -4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.391 -11.097 -5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.724 -10.621 -5.798 1.00 0.00 H new ATOM 503 N ASP A 30 5.543 -12.820 -10.100 1.00 0.00 N ATOM 504 CA ASP A 30 5.433 -13.688 -11.269 1.00 0.00 C ATOM 505 C ASP A 30 6.178 -15.003 -11.038 1.00 0.00 C ATOM 506 O ASP A 30 7.321 -15.164 -11.469 1.00 0.00 O ATOM 507 CB ASP A 30 5.990 -12.983 -12.510 1.00 0.00 C ATOM 508 CG ASP A 30 5.145 -11.802 -12.956 1.00 0.00 C ATOM 509 OD1 ASP A 30 4.660 -11.048 -12.087 1.00 0.00 O ATOM 510 OD2 ASP A 30 4.972 -11.628 -14.179 1.00 0.00 O ATOM 0 H ASP A 30 6.391 -12.253 -10.077 1.00 0.00 H new ATOM 0 HA ASP A 30 4.378 -13.910 -11.430 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.003 -12.639 -12.301 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.060 -13.701 -13.327 1.00 0.00 H new ATOM 515 N ALA A 31 5.522 -15.939 -10.352 1.00 0.00 N ATOM 516 CA ALA A 31 6.117 -17.244 -10.058 1.00 0.00 C ATOM 517 C ALA A 31 6.477 -17.998 -11.339 1.00 0.00 C ATOM 518 O ALA A 31 7.492 -18.693 -11.390 1.00 0.00 O ATOM 519 CB ALA A 31 5.174 -18.079 -9.203 1.00 0.00 C ATOM 0 H ALA A 31 4.577 -15.818 -9.989 1.00 0.00 H new ATOM 0 HA ALA A 31 7.038 -17.069 -9.502 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.632 -19.046 -8.994 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.978 -17.560 -8.265 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.236 -18.230 -9.737 1.00 0.00 H new ATOM 525 N SER A 32 5.639 -17.859 -12.369 1.00 0.00 N ATOM 526 CA SER A 32 5.874 -18.530 -13.649 1.00 0.00 C ATOM 527 C SER A 32 7.141 -18.002 -14.327 1.00 0.00 C ATOM 528 O SER A 32 7.899 -18.770 -14.919 1.00 0.00 O ATOM 529 CB SER A 32 4.671 -18.351 -14.581 1.00 0.00 C ATOM 530 OG SER A 32 4.664 -19.344 -15.593 1.00 0.00 O ATOM 0 H SER A 32 4.794 -17.289 -12.342 1.00 0.00 H new ATOM 0 HA SER A 32 6.010 -19.592 -13.445 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.748 -18.407 -14.005 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.703 -17.361 -15.037 1.00 0.00 H new ATOM 0 HG SER A 32 3.887 -19.212 -16.176 1.00 0.00 H new ATOM 536 N ALA A 33 7.361 -16.688 -14.236 1.00 0.00 N ATOM 537 CA ALA A 33 8.534 -16.057 -14.842 1.00 0.00 C ATOM 538 C ALA A 33 9.765 -16.176 -13.939 1.00 0.00 C ATOM 539 O ALA A 33 10.818 -16.642 -14.374 1.00 0.00 O ATOM 540 CB ALA A 33 8.243 -14.595 -15.152 1.00 0.00 C ATOM 0 H ALA A 33 6.741 -16.041 -13.748 1.00 0.00 H new ATOM 0 HA ALA A 33 8.753 -16.581 -15.772 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.123 -14.136 -15.602 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.405 -14.530 -15.846 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.992 -14.070 -14.230 1.00 0.00 H new ATOM 546 N LEU A 34 9.622 -15.748 -12.682 1.00 0.00 N ATOM 547 CA LEU A 34 10.718 -15.800 -11.711 1.00 0.00 C ATOM 548 C LEU A 34 11.084 -17.247 -11.372 1.00 0.00 C ATOM 549 O LEU A 34 12.207 -17.685 -11.626 1.00 0.00 O ATOM 550 CB LEU A 34 10.326 -15.041 -10.433 1.00 0.00 C ATOM 551 CG LEU A 34 11.487 -14.458 -9.614 1.00 0.00 C ATOM 552 CD1 LEU A 34 12.497 -15.537 -9.251 1.00 0.00 C ATOM 553 CD2 LEU A 34 12.160 -13.321 -10.370 1.00 0.00 C ATOM 0 H LEU A 34 8.754 -15.360 -12.312 1.00 0.00 H new ATOM 0 HA LEU A 34 11.591 -15.324 -12.157 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.657 -14.226 -10.709 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.759 -15.716 -9.793 1.00 0.00 H new ATOM 0 HG LEU A 34 11.077 -14.058 -8.687 1.00 0.00 H new ATOM 0 HD11 LEU A 34 13.308 -15.096 -8.671 1.00 0.00 H new ATOM 0 HD12 LEU A 34 12.007 -16.310 -8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.901 -15.979 -10.162 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.980 -12.922 -9.773 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.550 -13.694 -11.317 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.433 -12.532 -10.562 1.00 0.00 H new ATOM 565 N GLY A 35 10.128 -17.979 -10.798 1.00 0.00 N ATOM 566 CA GLY A 35 10.361 -19.367 -10.430 1.00 0.00 C ATOM 567 C GLY A 35 10.171 -19.611 -8.943 1.00 0.00 C ATOM 568 O GLY A 35 11.122 -19.954 -8.240 1.00 0.00 O ATOM 0 H GLY A 35 9.193 -17.633 -10.581 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.680 -20.008 -10.991 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.374 -19.651 -10.716 1.00 0.00 H new ATOM 572 N LEU A 36 8.937 -19.433 -8.463 1.00 0.00 N ATOM 573 CA LEU A 36 8.626 -19.634 -7.048 1.00 0.00 C ATOM 574 C LEU A 36 7.313 -20.396 -6.870 1.00 0.00 C ATOM 575 O LEU A 36 6.231 -19.817 -6.975 1.00 0.00 O ATOM 576 CB LEU A 36 8.541 -18.286 -6.321 1.00 0.00 C ATOM 577 CG LEU A 36 9.756 -17.369 -6.486 1.00 0.00 C ATOM 578 CD1 LEU A 36 9.342 -15.910 -6.365 1.00 0.00 C ATOM 579 CD2 LEU A 36 10.827 -17.712 -5.458 1.00 0.00 C ATOM 0 H LEU A 36 8.140 -19.151 -9.033 1.00 0.00 H new ATOM 0 HA LEU A 36 9.431 -20.228 -6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.657 -17.756 -6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.393 -18.475 -5.258 1.00 0.00 H new ATOM 0 HG LEU A 36 10.174 -17.525 -7.480 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.218 -15.272 -6.485 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.612 -15.673 -7.139 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.899 -15.738 -5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.683 -17.050 -5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.422 -17.585 -4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.143 -18.746 -5.593 1.00 0.00 H new ATOM 591 N HIS A 37 7.415 -21.694 -6.585 1.00 0.00 N ATOM 592 CA HIS A 37 6.232 -22.529 -6.376 1.00 0.00 C ATOM 593 C HIS A 37 5.737 -22.409 -4.934 1.00 0.00 C ATOM 594 O HIS A 37 4.531 -22.336 -4.688 1.00 0.00 O ATOM 595 CB HIS A 37 6.542 -23.996 -6.701 1.00 0.00 C ATOM 596 CG HIS A 37 5.337 -24.890 -6.665 1.00 0.00 C ATOM 597 ND1 HIS A 37 4.691 -25.330 -7.801 1.00 0.00 N ATOM 598 CD2 HIS A 37 4.666 -25.431 -5.620 1.00 0.00 C ATOM 599 CE1 HIS A 37 3.676 -26.103 -7.457 1.00 0.00 C ATOM 600 NE2 HIS A 37 3.638 -26.181 -6.138 1.00 0.00 N ATOM 0 H HIS A 37 8.302 -22.189 -6.494 1.00 0.00 H new ATOM 0 HA HIS A 37 5.448 -22.179 -7.047 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.995 -24.052 -7.691 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.281 -24.368 -5.991 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.896 -25.297 -4.573 1.00 0.00 H new ATOM 0 HE1 HIS A 37 2.993 -26.589 -8.138 1.00 0.00 H new ATOM 0 HE2 HIS A 37 2.957 -26.711 -5.594 1.00 0.00 H new ATOM 609 N ASP A 38 6.679 -22.389 -3.987 1.00 0.00 N ATOM 610 CA ASP A 38 6.349 -22.280 -2.564 1.00 0.00 C ATOM 611 C ASP A 38 5.572 -20.997 -2.260 1.00 0.00 C ATOM 612 O ASP A 38 4.726 -20.982 -1.368 1.00 0.00 O ATOM 613 CB ASP A 38 7.623 -22.326 -1.714 1.00 0.00 C ATOM 614 CG ASP A 38 8.242 -23.712 -1.663 1.00 0.00 C ATOM 615 OD1 ASP A 38 8.744 -24.177 -2.708 1.00 0.00 O ATOM 616 OD2 ASP A 38 8.226 -24.329 -0.577 1.00 0.00 O ATOM 0 H ASP A 38 7.679 -22.447 -4.181 1.00 0.00 H new ATOM 0 HA ASP A 38 5.714 -23.129 -2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.350 -21.622 -2.118 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.391 -21.998 -0.701 1.00 0.00 H new ATOM 621 N TYR A 39 5.861 -19.922 -3.002 1.00 0.00 N ATOM 622 CA TYR A 39 5.176 -18.643 -2.796 1.00 0.00 C ATOM 623 C TYR A 39 3.658 -18.817 -2.856 1.00 0.00 C ATOM 624 O TYR A 39 2.929 -18.242 -2.050 1.00 0.00 O ATOM 625 CB TYR A 39 5.623 -17.612 -3.839 1.00 0.00 C ATOM 626 CG TYR A 39 5.275 -16.184 -3.470 1.00 0.00 C ATOM 627 CD1 TYR A 39 3.985 -15.692 -3.647 1.00 0.00 C ATOM 628 CD2 TYR A 39 6.235 -15.329 -2.943 1.00 0.00 C ATOM 629 CE1 TYR A 39 3.666 -14.390 -3.308 1.00 0.00 C ATOM 630 CE2 TYR A 39 5.923 -14.027 -2.602 1.00 0.00 C ATOM 631 CZ TYR A 39 4.639 -13.562 -2.787 1.00 0.00 C ATOM 632 OH TYR A 39 4.325 -12.265 -2.448 1.00 0.00 O ATOM 0 H TYR A 39 6.560 -19.912 -3.745 1.00 0.00 H new ATOM 0 HA TYR A 39 5.446 -18.281 -1.804 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.702 -17.690 -3.976 1.00 0.00 H new ATOM 0 HB3 TYR A 39 5.162 -17.853 -4.797 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.221 -16.337 -4.055 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.243 -15.689 -2.797 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.660 -14.023 -3.450 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.682 -13.377 -2.192 1.00 0.00 H new ATOM 0 HH TYR A 39 5.122 -11.817 -2.095 1.00 0.00 H new ATOM 642 N HIS A 40 3.188 -19.620 -3.811 1.00 0.00 N ATOM 643 CA HIS A 40 1.757 -19.871 -3.965 1.00 0.00 C ATOM 644 C HIS A 40 1.227 -20.750 -2.831 1.00 0.00 C ATOM 645 O HIS A 40 0.089 -20.586 -2.389 1.00 0.00 O ATOM 646 CB HIS A 40 1.470 -20.534 -5.315 1.00 0.00 C ATOM 647 CG HIS A 40 0.120 -20.198 -5.872 1.00 0.00 C ATOM 648 ND1 HIS A 40 -1.055 -20.407 -5.179 1.00 0.00 N ATOM 649 CD2 HIS A 40 -0.239 -19.664 -7.063 1.00 0.00 C ATOM 650 CE1 HIS A 40 -2.077 -20.018 -5.920 1.00 0.00 C ATOM 651 NE2 HIS A 40 -1.609 -19.563 -7.067 1.00 0.00 N ATOM 0 H HIS A 40 3.777 -20.106 -4.487 1.00 0.00 H new ATOM 0 HA HIS A 40 1.245 -18.910 -3.925 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.235 -20.230 -6.030 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.549 -21.615 -5.204 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.427 -19.372 -7.861 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.118 -20.064 -5.636 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -2.174 -19.196 -7.833 1.00 0.00 H new ATOM 660 N ASP A 41 2.056 -21.685 -2.366 1.00 0.00 N ATOM 661 CA ASP A 41 1.666 -22.589 -1.286 1.00 0.00 C ATOM 662 C ASP A 41 1.630 -21.870 0.065 1.00 0.00 C ATOM 663 O ASP A 41 0.818 -22.207 0.928 1.00 0.00 O ATOM 664 CB ASP A 41 2.624 -23.782 -1.216 1.00 0.00 C ATOM 665 CG ASP A 41 2.272 -24.866 -2.218 1.00 0.00 C ATOM 666 OD1 ASP A 41 2.376 -24.608 -3.436 1.00 0.00 O ATOM 667 OD2 ASP A 41 1.890 -25.973 -1.784 1.00 0.00 O ATOM 0 H ASP A 41 3.001 -21.835 -2.720 1.00 0.00 H new ATOM 0 HA ASP A 41 0.660 -22.947 -1.505 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.642 -23.438 -1.399 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.605 -24.201 -0.210 1.00 0.00 H new ATOM 672 N ILE A 42 2.514 -20.886 0.248 1.00 0.00 N ATOM 673 CA ILE A 42 2.577 -20.136 1.502 1.00 0.00 C ATOM 674 C ILE A 42 1.690 -18.891 1.465 1.00 0.00 C ATOM 675 O ILE A 42 0.784 -18.745 2.286 1.00 0.00 O ATOM 676 CB ILE A 42 4.023 -19.705 1.842 1.00 0.00 C ATOM 677 CG1 ILE A 42 4.979 -20.898 1.761 1.00 0.00 C ATOM 678 CG2 ILE A 42 4.076 -19.073 3.227 1.00 0.00 C ATOM 679 CD1 ILE A 42 6.417 -20.498 1.514 1.00 0.00 C ATOM 0 H ILE A 42 3.193 -20.592 -0.454 1.00 0.00 H new ATOM 0 HA ILE A 42 2.213 -20.813 2.275 1.00 0.00 H new ATOM 0 HB ILE A 42 4.341 -18.964 1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.921 -21.464 2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.652 -21.563 0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.100 -18.775 3.452 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.429 -18.196 3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.737 -19.795 3.970 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.040 -21.391 1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.487 -19.957 0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.761 -19.857 2.326 1.00 0.00 H new ATOM 691 N ILE A 43 1.967 -17.993 0.523 1.00 0.00 N ATOM 692 CA ILE A 43 1.203 -16.754 0.394 1.00 0.00 C ATOM 693 C ILE A 43 -0.226 -17.024 -0.083 1.00 0.00 C ATOM 694 O ILE A 43 -1.184 -16.758 0.644 1.00 0.00 O ATOM 695 CB ILE A 43 1.893 -15.756 -0.572 1.00 0.00 C ATOM 696 CG1 ILE A 43 3.367 -15.565 -0.189 1.00 0.00 C ATOM 697 CG2 ILE A 43 1.166 -14.417 -0.575 1.00 0.00 C ATOM 698 CD1 ILE A 43 3.578 -15.101 1.238 1.00 0.00 C ATOM 0 H ILE A 43 2.715 -18.100 -0.162 1.00 0.00 H new ATOM 0 HA ILE A 43 1.163 -16.307 1.387 1.00 0.00 H new ATOM 0 HB ILE A 43 1.849 -16.172 -1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.895 -16.507 -0.336 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.817 -14.839 -0.866 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.667 -13.732 -1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.135 -14.563 -0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.175 -13.996 0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.645 -14.990 1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.081 -14.142 1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.160 -15.837 1.925 1.00 0.00 H new ATOM 710 N LYS A 44 -0.359 -17.545 -1.308 1.00 0.00 N ATOM 711 CA LYS A 44 -1.666 -17.853 -1.904 1.00 0.00 C ATOM 712 C LYS A 44 -2.380 -16.596 -2.426 1.00 0.00 C ATOM 713 O LYS A 44 -3.201 -16.687 -3.340 1.00 0.00 O ATOM 714 CB LYS A 44 -2.560 -18.590 -0.901 1.00 0.00 C ATOM 715 CG LYS A 44 -3.712 -19.351 -1.546 1.00 0.00 C ATOM 716 CD LYS A 44 -3.218 -20.516 -2.395 1.00 0.00 C ATOM 717 CE LYS A 44 -3.349 -21.843 -1.659 1.00 0.00 C ATOM 718 NZ LYS A 44 -2.056 -22.287 -1.062 1.00 0.00 N ATOM 0 H LYS A 44 0.432 -17.765 -1.913 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.478 -18.502 -2.759 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.949 -19.290 -0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.966 -17.869 -0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.380 -19.725 -0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.294 -18.670 -2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.787 -20.557 -3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.175 -20.352 -2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.097 -21.747 -0.872 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.709 -22.605 -2.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.912 -23.298 -1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.276 -21.738 -1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.078 -22.135 -0.033 1.00 0.00 H new ATOM 732 N HIS A 45 -2.069 -15.430 -1.850 1.00 0.00 N ATOM 733 CA HIS A 45 -2.687 -14.173 -2.270 1.00 0.00 C ATOM 734 C HIS A 45 -1.625 -13.172 -2.731 1.00 0.00 C ATOM 735 O HIS A 45 -1.171 -12.336 -1.947 1.00 0.00 O ATOM 736 CB HIS A 45 -3.502 -13.572 -1.121 1.00 0.00 C ATOM 737 CG HIS A 45 -4.966 -13.889 -1.183 1.00 0.00 C ATOM 738 ND1 HIS A 45 -5.490 -15.113 -0.821 1.00 0.00 N ATOM 739 CD2 HIS A 45 -6.022 -13.128 -1.561 1.00 0.00 C ATOM 740 CE1 HIS A 45 -6.803 -15.090 -0.972 1.00 0.00 C ATOM 741 NE2 HIS A 45 -7.150 -13.898 -1.419 1.00 0.00 N ATOM 0 H HIS A 45 -1.393 -15.333 -1.092 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.352 -14.386 -3.107 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.101 -13.936 -0.175 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.374 -12.490 -1.125 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.983 -12.106 -1.909 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.477 -15.908 -0.765 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.102 -13.597 -1.626 1.00 0.00 H new ATOM 750 N PRO A 46 -1.213 -13.247 -4.015 1.00 0.00 N ATOM 751 CA PRO A 46 -0.200 -12.344 -4.584 1.00 0.00 C ATOM 752 C PRO A 46 -0.599 -10.873 -4.447 1.00 0.00 C ATOM 753 O PRO A 46 -1.294 -10.322 -5.304 1.00 0.00 O ATOM 754 CB PRO A 46 -0.135 -12.760 -6.062 1.00 0.00 C ATOM 755 CG PRO A 46 -0.660 -14.155 -6.090 1.00 0.00 C ATOM 756 CD PRO A 46 -1.700 -14.221 -5.010 1.00 0.00 C ATOM 0 HA PRO A 46 0.758 -12.425 -4.071 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.737 -12.099 -6.686 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.886 -12.714 -6.441 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.091 -14.391 -7.063 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.137 -14.877 -5.910 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.688 -13.954 -5.385 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.779 -15.223 -4.588 1.00 0.00 H new ATOM 764 N MET A 47 -0.167 -10.251 -3.348 1.00 0.00 N ATOM 765 CA MET A 47 -0.486 -8.852 -3.074 1.00 0.00 C ATOM 766 C MET A 47 0.731 -7.951 -3.289 1.00 0.00 C ATOM 767 O MET A 47 1.734 -8.071 -2.583 1.00 0.00 O ATOM 768 CB MET A 47 -1.002 -8.700 -1.637 1.00 0.00 C ATOM 769 CG MET A 47 -2.410 -8.127 -1.546 1.00 0.00 C ATOM 770 SD MET A 47 -2.521 -6.444 -2.182 1.00 0.00 S ATOM 771 CE MET A 47 -3.459 -6.713 -3.684 1.00 0.00 C ATOM 0 H MET A 47 0.406 -10.698 -2.632 1.00 0.00 H new ATOM 0 HA MET A 47 -1.264 -8.543 -3.772 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.985 -9.675 -1.150 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.321 -8.054 -1.083 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.095 -8.767 -2.103 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.736 -8.140 -0.506 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.883 -5.768 -4.022 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.802 -7.113 -4.456 1.00 0.00 H new ATOM 0 HE3 MET A 47 -4.263 -7.422 -3.489 1.00 0.00 H new ATOM 781 N ASP A 48 0.630 -7.047 -4.266 1.00 0.00 N ATOM 782 CA ASP A 48 1.715 -6.116 -4.577 1.00 0.00 C ATOM 783 C ASP A 48 1.163 -4.737 -4.949 1.00 0.00 C ATOM 784 O ASP A 48 -0.036 -4.584 -5.194 1.00 0.00 O ATOM 785 CB ASP A 48 2.576 -6.661 -5.721 1.00 0.00 C ATOM 786 CG ASP A 48 1.740 -7.144 -6.890 1.00 0.00 C ATOM 787 OD1 ASP A 48 1.300 -8.313 -6.861 1.00 0.00 O ATOM 788 OD2 ASP A 48 1.520 -6.351 -7.828 1.00 0.00 O ATOM 0 H ASP A 48 -0.195 -6.941 -4.856 1.00 0.00 H new ATOM 0 HA ASP A 48 2.334 -6.011 -3.686 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.258 -5.882 -6.062 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.189 -7.483 -5.352 1.00 0.00 H new ATOM 793 N LEU A 49 2.046 -3.737 -4.987 1.00 0.00 N ATOM 794 CA LEU A 49 1.649 -2.367 -5.325 1.00 0.00 C ATOM 795 C LEU A 49 1.036 -2.281 -6.725 1.00 0.00 C ATOM 796 O LEU A 49 0.097 -1.515 -6.945 1.00 0.00 O ATOM 797 CB LEU A 49 2.846 -1.416 -5.228 1.00 0.00 C ATOM 798 CG LEU A 49 2.576 -0.117 -4.463 1.00 0.00 C ATOM 799 CD1 LEU A 49 2.937 -0.275 -2.994 1.00 0.00 C ATOM 800 CD2 LEU A 49 3.344 1.042 -5.086 1.00 0.00 C ATOM 0 H LEU A 49 3.040 -3.849 -4.788 1.00 0.00 H new ATOM 0 HA LEU A 49 0.890 -2.067 -4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.670 -1.941 -4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.175 -1.165 -6.236 1.00 0.00 H new ATOM 0 HG LEU A 49 1.511 0.105 -4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.738 0.659 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.338 -1.073 -2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.994 -0.524 -2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.139 1.956 -4.528 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.413 0.829 -5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.031 1.171 -6.122 1.00 0.00 H new ATOM 812 N SER A 50 1.571 -3.062 -7.670 1.00 0.00 N ATOM 813 CA SER A 50 1.064 -3.056 -9.045 1.00 0.00 C ATOM 814 C SER A 50 -0.416 -3.436 -9.089 1.00 0.00 C ATOM 815 O SER A 50 -1.188 -2.855 -9.854 1.00 0.00 O ATOM 816 CB SER A 50 1.874 -4.007 -9.935 1.00 0.00 C ATOM 817 OG SER A 50 2.862 -3.304 -10.671 1.00 0.00 O ATOM 0 H SER A 50 2.349 -3.702 -7.509 1.00 0.00 H new ATOM 0 HA SER A 50 1.173 -2.041 -9.428 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.350 -4.769 -9.318 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.205 -4.525 -10.622 1.00 0.00 H new ATOM 0 HG SER A 50 3.691 -3.264 -10.150 1.00 0.00 H new ATOM 823 N THR A 51 -0.811 -4.409 -8.264 1.00 0.00 N ATOM 824 CA THR A 51 -2.206 -4.848 -8.216 1.00 0.00 C ATOM 825 C THR A 51 -3.098 -3.765 -7.614 1.00 0.00 C ATOM 826 O THR A 51 -4.225 -3.559 -8.066 1.00 0.00 O ATOM 827 CB THR A 51 -2.351 -6.138 -7.401 1.00 0.00 C ATOM 828 OG1 THR A 51 -1.297 -7.046 -7.677 1.00 0.00 O ATOM 829 CG2 THR A 51 -3.656 -6.857 -7.662 1.00 0.00 C ATOM 0 H THR A 51 -0.189 -4.904 -7.625 1.00 0.00 H new ATOM 0 HA THR A 51 -2.521 -5.041 -9.242 1.00 0.00 H new ATOM 0 HB THR A 51 -2.322 -5.820 -6.359 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.416 -7.858 -7.141 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.700 -7.762 -7.056 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.489 -6.205 -7.401 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.720 -7.123 -8.717 1.00 0.00 H new ATOM 837 N VAL A 52 -2.584 -3.073 -6.597 1.00 0.00 N ATOM 838 CA VAL A 52 -3.331 -2.006 -5.936 1.00 0.00 C ATOM 839 C VAL A 52 -3.738 -0.929 -6.944 1.00 0.00 C ATOM 840 O VAL A 52 -4.851 -0.401 -6.886 1.00 0.00 O ATOM 841 CB VAL A 52 -2.503 -1.356 -4.804 1.00 0.00 C ATOM 842 CG1 VAL A 52 -3.327 -0.314 -4.063 1.00 0.00 C ATOM 843 CG2 VAL A 52 -1.975 -2.412 -3.836 1.00 0.00 C ATOM 0 H VAL A 52 -1.652 -3.233 -6.214 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.224 -2.456 -5.503 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.648 -0.856 -5.259 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.724 0.130 -3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.642 0.463 -4.759 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.206 -0.788 -3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.396 -1.928 -3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.813 -2.949 -3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.339 -3.114 -4.375 1.00 0.00 H new ATOM 853 N LYS A 53 -2.835 -0.620 -7.878 1.00 0.00 N ATOM 854 CA LYS A 53 -3.106 0.379 -8.909 1.00 0.00 C ATOM 855 C LYS A 53 -4.265 -0.067 -9.804 1.00 0.00 C ATOM 856 O LYS A 53 -5.117 0.741 -10.174 1.00 0.00 O ATOM 857 CB LYS A 53 -1.851 0.626 -9.757 1.00 0.00 C ATOM 858 CG LYS A 53 -1.975 1.800 -10.720 1.00 0.00 C ATOM 859 CD LYS A 53 -1.928 3.138 -9.994 1.00 0.00 C ATOM 860 CE LYS A 53 -2.275 4.288 -10.930 1.00 0.00 C ATOM 861 NZ LYS A 53 -1.438 5.496 -10.676 1.00 0.00 N ATOM 0 H LYS A 53 -1.911 -1.048 -7.940 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.387 1.309 -8.416 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.005 0.802 -9.093 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.627 -0.276 -10.327 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.169 1.756 -11.452 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.911 1.719 -11.272 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.626 3.125 -9.157 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.933 3.293 -9.577 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.141 3.966 -11.963 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.327 4.546 -10.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.710 6.252 -11.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.584 5.821 -9.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.435 5.259 -10.815 1.00 0.00 H new ATOM 875 N ARG A 54 -4.290 -1.359 -10.144 1.00 0.00 N ATOM 876 CA ARG A 54 -5.345 -1.914 -10.994 1.00 0.00 C ATOM 877 C ARG A 54 -6.717 -1.802 -10.325 1.00 0.00 C ATOM 878 O ARG A 54 -7.697 -1.434 -10.972 1.00 0.00 O ATOM 879 CB ARG A 54 -5.049 -3.379 -11.337 1.00 0.00 C ATOM 880 CG ARG A 54 -4.761 -3.609 -12.812 1.00 0.00 C ATOM 881 CD ARG A 54 -4.034 -4.926 -13.045 1.00 0.00 C ATOM 882 NE ARG A 54 -2.587 -4.792 -12.878 1.00 0.00 N ATOM 883 CZ ARG A 54 -1.785 -4.179 -13.755 1.00 0.00 C ATOM 884 NH1 ARG A 54 -2.286 -3.627 -14.859 1.00 0.00 N ATOM 885 NH2 ARG A 54 -0.479 -4.115 -13.526 1.00 0.00 N ATOM 0 H ARG A 54 -3.592 -2.039 -9.843 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.365 -1.331 -11.915 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.194 -3.716 -10.751 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.900 -3.993 -11.041 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.697 -3.606 -13.370 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.158 -2.787 -13.197 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.411 -5.676 -12.349 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.251 -5.286 -14.051 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.163 -5.191 -12.040 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.289 -3.670 -15.041 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.667 -3.161 -15.523 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.088 -4.533 -12.682 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.134 -3.648 -14.194 1.00 0.00 H new ATOM 899 N LYS A 55 -6.782 -2.120 -9.030 1.00 0.00 N ATOM 900 CA LYS A 55 -8.040 -2.048 -8.286 1.00 0.00 C ATOM 901 C LYS A 55 -8.602 -0.627 -8.303 1.00 0.00 C ATOM 902 O LYS A 55 -9.791 -0.428 -8.548 1.00 0.00 O ATOM 903 CB LYS A 55 -7.841 -2.517 -6.841 1.00 0.00 C ATOM 904 CG LYS A 55 -8.066 -4.008 -6.643 1.00 0.00 C ATOM 905 CD LYS A 55 -6.982 -4.832 -7.319 1.00 0.00 C ATOM 906 CE LYS A 55 -7.211 -6.321 -7.122 1.00 0.00 C ATOM 907 NZ LYS A 55 -7.685 -6.984 -8.369 1.00 0.00 N ATOM 0 H LYS A 55 -5.982 -2.428 -8.478 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.756 -2.710 -8.774 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.829 -2.267 -6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.523 -1.967 -6.193 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.085 -4.235 -5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.040 -4.286 -7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.961 -4.604 -8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.008 -4.556 -6.915 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.284 -6.790 -6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.944 -6.473 -6.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.828 -7.998 -8.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.583 -6.555 -8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.975 -6.862 -9.119 1.00 0.00 H new ATOM 921 N MET A 56 -7.739 0.358 -8.054 1.00 0.00 N ATOM 922 CA MET A 56 -8.154 1.762 -8.054 1.00 0.00 C ATOM 923 C MET A 56 -8.524 2.226 -9.466 1.00 0.00 C ATOM 924 O MET A 56 -9.401 3.073 -9.637 1.00 0.00 O ATOM 925 CB MET A 56 -7.045 2.649 -7.484 1.00 0.00 C ATOM 926 CG MET A 56 -6.851 2.493 -5.983 1.00 0.00 C ATOM 927 SD MET A 56 -6.451 4.051 -5.166 1.00 0.00 S ATOM 928 CE MET A 56 -4.718 3.807 -4.789 1.00 0.00 C ATOM 0 H MET A 56 -6.750 0.211 -7.850 1.00 0.00 H new ATOM 0 HA MET A 56 -9.037 1.850 -7.421 1.00 0.00 H new ATOM 0 HB2 MET A 56 -6.108 2.415 -7.989 1.00 0.00 H new ATOM 0 HB3 MET A 56 -7.275 3.691 -7.706 1.00 0.00 H new ATOM 0 HG2 MET A 56 -7.760 2.081 -5.544 1.00 0.00 H new ATOM 0 HG3 MET A 56 -6.053 1.775 -5.797 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.505 4.191 -3.792 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.484 2.743 -4.826 1.00 0.00 H new ATOM 0 HE3 MET A 56 -4.108 4.338 -5.520 1.00 0.00 H new ATOM 938 N GLU A 57 -7.856 1.657 -10.472 1.00 0.00 N ATOM 939 CA GLU A 57 -8.119 2.003 -11.869 1.00 0.00 C ATOM 940 C GLU A 57 -9.467 1.447 -12.328 1.00 0.00 C ATOM 941 O GLU A 57 -10.138 2.040 -13.173 1.00 0.00 O ATOM 942 CB GLU A 57 -7.003 1.468 -12.771 1.00 0.00 C ATOM 943 CG GLU A 57 -5.950 2.509 -13.112 1.00 0.00 C ATOM 944 CD GLU A 57 -6.273 3.280 -14.379 1.00 0.00 C ATOM 945 OE1 GLU A 57 -7.383 3.846 -14.465 1.00 0.00 O ATOM 946 OE2 GLU A 57 -5.413 3.318 -15.285 1.00 0.00 O ATOM 0 H GLU A 57 -7.128 0.954 -10.344 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.150 3.090 -11.944 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.522 0.623 -12.278 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.442 1.090 -13.694 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.855 3.208 -12.281 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.984 2.018 -13.228 1.00 0.00 H new ATOM 953 N ASN A 58 -9.860 0.310 -11.754 1.00 0.00 N ATOM 954 CA ASN A 58 -11.125 -0.327 -12.086 1.00 0.00 C ATOM 955 C ASN A 58 -12.192 -0.008 -11.034 1.00 0.00 C ATOM 956 O ASN A 58 -13.339 -0.441 -11.160 1.00 0.00 O ATOM 957 CB ASN A 58 -10.932 -1.843 -12.199 1.00 0.00 C ATOM 958 CG ASN A 58 -11.163 -2.353 -13.608 1.00 0.00 C ATOM 959 OD1 ASN A 58 -11.962 -3.263 -13.827 1.00 0.00 O ATOM 960 ND2 ASN A 58 -10.462 -1.769 -14.575 1.00 0.00 N ATOM 0 H ASN A 58 -9.313 -0.188 -11.052 1.00 0.00 H new ATOM 0 HA ASN A 58 -11.466 0.064 -13.045 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.921 -2.102 -11.883 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.618 -2.345 -11.517 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.576 -2.072 -15.542 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.810 -1.018 -14.350 1.00 0.00 H new ATOM 967 N ARG A 59 -11.811 0.749 -9.994 1.00 0.00 N ATOM 968 CA ARG A 59 -12.732 1.117 -8.928 1.00 0.00 C ATOM 969 C ARG A 59 -13.233 -0.129 -8.196 1.00 0.00 C ATOM 970 O ARG A 59 -14.421 -0.258 -7.894 1.00 0.00 O ATOM 971 CB ARG A 59 -13.898 1.923 -9.500 1.00 0.00 C ATOM 972 CG ARG A 59 -14.646 2.740 -8.459 1.00 0.00 C ATOM 973 CD ARG A 59 -15.984 3.234 -8.988 1.00 0.00 C ATOM 974 NE ARG A 59 -16.080 4.694 -8.989 1.00 0.00 N ATOM 975 CZ ARG A 59 -17.083 5.376 -9.549 1.00 0.00 C ATOM 976 NH1 ARG A 59 -18.080 4.734 -10.155 1.00 0.00 N ATOM 977 NH2 ARG A 59 -17.091 6.704 -9.504 1.00 0.00 N ATOM 0 H ARG A 59 -10.866 1.115 -9.876 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.205 1.739 -8.205 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.520 2.593 -10.272 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.597 1.241 -9.984 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -14.808 2.134 -7.568 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.036 3.592 -8.158 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.130 2.863 -10.002 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.787 2.820 -8.378 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.336 5.223 -8.535 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.081 3.715 -10.194 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -18.842 5.262 -10.580 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.331 7.203 -9.042 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.857 7.224 -9.932 1.00 0.00 H new ATOM 991 N ASP A 60 -12.304 -1.042 -7.911 1.00 0.00 N ATOM 992 CA ASP A 60 -12.623 -2.283 -7.211 1.00 0.00 C ATOM 993 C ASP A 60 -12.792 -2.040 -5.710 1.00 0.00 C ATOM 994 O ASP A 60 -13.587 -2.711 -5.050 1.00 0.00 O ATOM 995 CB ASP A 60 -11.518 -3.315 -7.449 1.00 0.00 C ATOM 996 CG ASP A 60 -11.835 -4.666 -6.837 1.00 0.00 C ATOM 997 OD1 ASP A 60 -12.645 -5.410 -7.428 1.00 0.00 O ATOM 998 OD2 ASP A 60 -11.269 -4.980 -5.769 1.00 0.00 O ATOM 0 H ASP A 60 -11.319 -0.943 -8.157 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.566 -2.663 -7.604 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.363 -3.434 -8.521 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.583 -2.942 -7.031 1.00 0.00 H new ATOM 1003 N TYR A 61 -12.034 -1.080 -5.177 1.00 0.00 N ATOM 1004 CA TYR A 61 -12.093 -0.751 -3.753 1.00 0.00 C ATOM 1005 C TYR A 61 -13.452 -0.158 -3.378 1.00 0.00 C ATOM 1006 O TYR A 61 -14.256 -0.807 -2.710 1.00 0.00 O ATOM 1007 CB TYR A 61 -10.974 0.230 -3.387 1.00 0.00 C ATOM 1008 CG TYR A 61 -9.606 -0.413 -3.293 1.00 0.00 C ATOM 1009 CD1 TYR A 61 -9.272 -1.228 -2.218 1.00 0.00 C ATOM 1010 CD2 TYR A 61 -8.649 -0.203 -4.279 1.00 0.00 C ATOM 1011 CE1 TYR A 61 -8.024 -1.812 -2.125 1.00 0.00 C ATOM 1012 CE2 TYR A 61 -7.398 -0.785 -4.194 1.00 0.00 C ATOM 1013 CZ TYR A 61 -7.091 -1.589 -3.116 1.00 0.00 C ATOM 1014 OH TYR A 61 -5.845 -2.169 -3.028 1.00 0.00 O ATOM 0 H TYR A 61 -11.372 -0.517 -5.711 1.00 0.00 H new ATOM 0 HA TYR A 61 -11.957 -1.674 -3.190 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -10.942 1.025 -4.132 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -11.212 0.698 -2.432 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.001 -1.408 -1.442 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.887 0.425 -5.125 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.780 -2.440 -1.281 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.665 -0.611 -4.968 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.699 -2.749 -3.804 1.00 0.00 H new ATOM 1024 N ARG A 62 -13.697 1.084 -3.810 1.00 0.00 N ATOM 1025 CA ARG A 62 -14.956 1.784 -3.524 1.00 0.00 C ATOM 1026 C ARG A 62 -15.147 2.045 -2.020 1.00 0.00 C ATOM 1027 O ARG A 62 -16.219 2.487 -1.598 1.00 0.00 O ATOM 1028 CB ARG A 62 -16.153 0.993 -4.075 1.00 0.00 C ATOM 1029 CG ARG A 62 -15.883 0.323 -5.415 1.00 0.00 C ATOM 1030 CD ARG A 62 -17.152 -0.259 -6.024 1.00 0.00 C ATOM 1031 NE ARG A 62 -17.957 0.753 -6.711 1.00 0.00 N ATOM 1032 CZ ARG A 62 -19.243 0.590 -7.036 1.00 0.00 C ATOM 1033 NH1 ARG A 62 -19.877 -0.543 -6.741 1.00 0.00 N ATOM 1034 NH2 ARG A 62 -19.901 1.562 -7.660 1.00 0.00 N ATOM 0 H ARG A 62 -13.035 1.629 -4.363 1.00 0.00 H new ATOM 0 HA ARG A 62 -14.902 2.751 -4.024 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -16.438 0.231 -3.349 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.004 1.666 -4.181 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -15.450 1.049 -6.103 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -15.147 -0.470 -5.283 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -16.885 -1.047 -6.729 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -17.749 -0.722 -5.239 1.00 0.00 H new ATOM 0 HE ARG A 62 -17.509 1.636 -6.956 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -19.381 -1.295 -6.263 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -20.859 -0.659 -6.993 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -19.424 2.434 -7.891 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -20.882 1.436 -7.907 1.00 0.00 H new ATOM 1048 N ASP A 63 -14.108 1.781 -1.217 1.00 0.00 N ATOM 1049 CA ASP A 63 -14.175 1.996 0.229 1.00 0.00 C ATOM 1050 C ASP A 63 -12.783 2.230 0.815 1.00 0.00 C ATOM 1051 O ASP A 63 -11.784 1.739 0.283 1.00 0.00 O ATOM 1052 CB ASP A 63 -14.824 0.792 0.923 1.00 0.00 C ATOM 1053 CG ASP A 63 -16.338 0.814 0.838 1.00 0.00 C ATOM 1054 OD1 ASP A 63 -16.955 1.712 1.450 1.00 0.00 O ATOM 1055 OD2 ASP A 63 -16.906 -0.068 0.160 1.00 0.00 O ATOM 0 H ASP A 63 -13.213 1.419 -1.547 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.783 2.884 0.402 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -14.452 -0.127 0.470 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.523 0.776 1.971 1.00 0.00 H new ATOM 1060 N ALA A 64 -12.728 2.968 1.925 1.00 0.00 N ATOM 1061 CA ALA A 64 -11.462 3.254 2.598 1.00 0.00 C ATOM 1062 C ALA A 64 -10.989 2.034 3.383 1.00 0.00 C ATOM 1063 O ALA A 64 -9.805 1.695 3.368 1.00 0.00 O ATOM 1064 CB ALA A 64 -11.605 4.458 3.519 1.00 0.00 C ATOM 0 H ALA A 64 -13.546 3.378 2.376 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.715 3.489 1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.652 4.655 4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.899 5.330 2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.366 4.252 4.272 1.00 0.00 H new ATOM 1070 N GLN A 65 -11.930 1.371 4.059 1.00 0.00 N ATOM 1071 CA GLN A 65 -11.620 0.179 4.842 1.00 0.00 C ATOM 1072 C GLN A 65 -11.029 -0.918 3.954 1.00 0.00 C ATOM 1073 O GLN A 65 -10.095 -1.613 4.358 1.00 0.00 O ATOM 1074 CB GLN A 65 -12.874 -0.339 5.554 1.00 0.00 C ATOM 1075 CG GLN A 65 -12.592 -0.942 6.922 1.00 0.00 C ATOM 1076 CD GLN A 65 -12.825 0.042 8.054 1.00 0.00 C ATOM 1077 OE1 GLN A 65 -11.889 0.677 8.539 1.00 0.00 O ATOM 1078 NE2 GLN A 65 -14.077 0.174 8.481 1.00 0.00 N ATOM 0 H GLN A 65 -12.913 1.642 4.078 1.00 0.00 H new ATOM 0 HA GLN A 65 -10.878 0.453 5.592 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.583 0.481 5.667 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.354 -1.090 4.927 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.228 -1.815 7.068 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.560 -1.290 6.955 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.823 -0.372 8.050 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -14.292 0.822 9.239 1.00 0.00 H new ATOM 1087 N GLU A 66 -11.573 -1.065 2.740 1.00 0.00 N ATOM 1088 CA GLU A 66 -11.089 -2.075 1.796 1.00 0.00 C ATOM 1089 C GLU A 66 -9.610 -1.861 1.479 1.00 0.00 C ATOM 1090 O GLU A 66 -8.836 -2.817 1.420 1.00 0.00 O ATOM 1091 CB GLU A 66 -11.903 -2.034 0.500 1.00 0.00 C ATOM 1092 CG GLU A 66 -13.285 -2.662 0.623 1.00 0.00 C ATOM 1093 CD GLU A 66 -13.322 -4.113 0.171 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -12.686 -4.436 -0.856 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -13.989 -4.926 0.844 1.00 0.00 O ATOM 0 H GLU A 66 -12.346 -0.499 2.391 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.210 -3.052 2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.012 -0.997 0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.348 -2.550 -0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.614 -2.602 1.660 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.994 -2.085 0.030 1.00 0.00 H new ATOM 1102 N PHE A 67 -9.221 -0.600 1.286 1.00 0.00 N ATOM 1103 CA PHE A 67 -7.832 -0.264 0.987 1.00 0.00 C ATOM 1104 C PHE A 67 -6.925 -0.591 2.173 1.00 0.00 C ATOM 1105 O PHE A 67 -5.793 -1.041 1.992 1.00 0.00 O ATOM 1106 CB PHE A 67 -7.704 1.218 0.628 1.00 0.00 C ATOM 1107 CG PHE A 67 -6.496 1.534 -0.212 1.00 0.00 C ATOM 1108 CD1 PHE A 67 -6.490 1.257 -1.570 1.00 0.00 C ATOM 1109 CD2 PHE A 67 -5.368 2.106 0.356 1.00 0.00 C ATOM 1110 CE1 PHE A 67 -5.384 1.545 -2.345 1.00 0.00 C ATOM 1111 CE2 PHE A 67 -4.259 2.396 -0.415 1.00 0.00 C ATOM 1112 CZ PHE A 67 -4.266 2.114 -1.767 1.00 0.00 C ATOM 0 H PHE A 67 -9.848 0.203 1.332 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.518 -0.864 0.133 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -8.600 1.532 0.093 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.660 1.803 1.547 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -7.361 0.811 -2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.356 2.327 1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -5.393 1.325 -3.402 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.387 2.843 0.039 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.399 2.338 -2.371 1.00 0.00 H new ATOM 1122 N ALA A 68 -7.433 -0.364 3.388 1.00 0.00 N ATOM 1123 CA ALA A 68 -6.671 -0.638 4.605 1.00 0.00 C ATOM 1124 C ALA A 68 -6.372 -2.130 4.748 1.00 0.00 C ATOM 1125 O ALA A 68 -5.273 -2.512 5.153 1.00 0.00 O ATOM 1126 CB ALA A 68 -7.423 -0.132 5.829 1.00 0.00 C ATOM 0 H ALA A 68 -8.368 0.009 3.553 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.721 -0.109 4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.842 -0.344 6.726 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.577 0.944 5.742 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.389 -0.633 5.895 1.00 0.00 H new ATOM 1132 N ALA A 69 -7.356 -2.968 4.414 1.00 0.00 N ATOM 1133 CA ALA A 69 -7.199 -4.419 4.506 1.00 0.00 C ATOM 1134 C ALA A 69 -6.189 -4.937 3.484 1.00 0.00 C ATOM 1135 O ALA A 69 -5.392 -5.827 3.789 1.00 0.00 O ATOM 1136 CB ALA A 69 -8.539 -5.116 4.315 1.00 0.00 C ATOM 0 H ALA A 69 -8.270 -2.665 4.077 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.820 -4.646 5.502 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.401 -6.195 4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.234 -4.787 5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.942 -4.866 3.334 1.00 0.00 H new ATOM 1142 N ASP A 70 -6.227 -4.380 2.273 1.00 0.00 N ATOM 1143 CA ASP A 70 -5.314 -4.794 1.207 1.00 0.00 C ATOM 1144 C ASP A 70 -3.864 -4.507 1.589 1.00 0.00 C ATOM 1145 O ASP A 70 -2.974 -5.317 1.328 1.00 0.00 O ATOM 1146 CB ASP A 70 -5.655 -4.075 -0.102 1.00 0.00 C ATOM 1147 CG ASP A 70 -6.602 -4.875 -0.975 1.00 0.00 C ATOM 1148 OD1 ASP A 70 -7.828 -4.788 -0.756 1.00 0.00 O ATOM 1149 OD2 ASP A 70 -6.118 -5.587 -1.880 1.00 0.00 O ATOM 0 H ASP A 70 -6.879 -3.642 2.006 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.432 -5.868 1.065 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.104 -3.108 0.125 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.736 -3.878 -0.654 1.00 0.00 H new ATOM 1154 N VAL A 71 -3.634 -3.356 2.216 1.00 0.00 N ATOM 1155 CA VAL A 71 -2.291 -2.976 2.639 1.00 0.00 C ATOM 1156 C VAL A 71 -1.813 -3.865 3.789 1.00 0.00 C ATOM 1157 O VAL A 71 -0.665 -4.313 3.799 1.00 0.00 O ATOM 1158 CB VAL A 71 -2.227 -1.495 3.070 1.00 0.00 C ATOM 1159 CG1 VAL A 71 -0.796 -1.089 3.387 1.00 0.00 C ATOM 1160 CG2 VAL A 71 -2.815 -0.592 1.991 1.00 0.00 C ATOM 0 H VAL A 71 -4.358 -2.673 2.441 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.634 -3.113 1.780 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.824 -1.379 3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.773 -0.042 3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.413 -1.709 4.198 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.175 -1.225 2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.760 0.447 2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.250 -0.714 1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.857 -0.863 1.818 1.00 0.00 H new ATOM 1170 N ARG A 72 -2.702 -4.120 4.751 1.00 0.00 N ATOM 1171 CA ARG A 72 -2.374 -4.960 5.904 1.00 0.00 C ATOM 1172 C ARG A 72 -1.919 -6.353 5.465 1.00 0.00 C ATOM 1173 O ARG A 72 -0.962 -6.901 6.015 1.00 0.00 O ATOM 1174 CB ARG A 72 -3.580 -5.074 6.840 1.00 0.00 C ATOM 1175 CG ARG A 72 -3.242 -4.836 8.304 1.00 0.00 C ATOM 1176 CD ARG A 72 -4.434 -4.281 9.069 1.00 0.00 C ATOM 1177 NE ARG A 72 -4.745 -2.904 8.682 1.00 0.00 N ATOM 1178 CZ ARG A 72 -4.086 -1.832 9.132 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -3.071 -1.970 9.984 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -4.440 -0.617 8.728 1.00 0.00 N ATOM 0 H ARG A 72 -3.655 -3.757 4.754 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.550 -4.486 6.438 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.339 -4.355 6.530 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.019 -6.066 6.734 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.919 -5.772 8.761 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.406 -4.141 8.377 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.304 -4.912 8.891 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.227 -4.318 10.138 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.513 -2.753 8.028 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.791 -2.899 10.298 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.574 -1.146 10.322 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.215 -0.502 8.074 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.937 0.201 9.071 1.00 0.00 H new ATOM 1194 N LEU A 73 -2.605 -6.918 4.468 1.00 0.00 N ATOM 1195 CA LEU A 73 -2.263 -8.244 3.951 1.00 0.00 C ATOM 1196 C LEU A 73 -0.858 -8.243 3.352 1.00 0.00 C ATOM 1197 O LEU A 73 -0.066 -9.152 3.603 1.00 0.00 O ATOM 1198 CB LEU A 73 -3.284 -8.686 2.896 1.00 0.00 C ATOM 1199 CG LEU A 73 -3.153 -10.139 2.425 1.00 0.00 C ATOM 1200 CD1 LEU A 73 -4.526 -10.755 2.195 1.00 0.00 C ATOM 1201 CD2 LEU A 73 -2.315 -10.219 1.155 1.00 0.00 C ATOM 0 H LEU A 73 -3.399 -6.478 4.004 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.286 -8.950 4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.286 -8.542 3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.193 -8.031 2.030 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.648 -10.706 3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.411 -11.786 1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.094 -10.736 3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.058 -10.184 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.234 -11.259 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.791 -9.635 0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.319 -9.821 1.350 1.00 0.00 H new ATOM 1213 N MET A 74 -0.557 -7.210 2.564 1.00 0.00 N ATOM 1214 CA MET A 74 0.753 -7.074 1.928 1.00 0.00 C ATOM 1215 C MET A 74 1.867 -7.010 2.974 1.00 0.00 C ATOM 1216 O MET A 74 2.937 -7.593 2.790 1.00 0.00 O ATOM 1217 CB MET A 74 0.790 -5.814 1.057 1.00 0.00 C ATOM 1218 CG MET A 74 1.399 -6.036 -0.317 1.00 0.00 C ATOM 1219 SD MET A 74 0.523 -5.145 -1.617 1.00 0.00 S ATOM 1220 CE MET A 74 1.238 -3.513 -1.452 1.00 0.00 C ATOM 0 H MET A 74 -1.206 -6.453 2.351 1.00 0.00 H new ATOM 0 HA MET A 74 0.916 -7.951 1.302 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.225 -5.436 0.937 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.358 -5.042 1.576 1.00 0.00 H new ATOM 0 HG2 MET A 74 2.442 -5.719 -0.304 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.393 -7.102 -0.545 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.795 -2.845 -2.191 1.00 0.00 H new ATOM 0 HE2 MET A 74 1.040 -3.129 -0.451 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.315 -3.570 -1.613 1.00 0.00 H new ATOM 1230 N PHE A 75 1.608 -6.294 4.069 1.00 0.00 N ATOM 1231 CA PHE A 75 2.587 -6.147 5.144 1.00 0.00 C ATOM 1232 C PHE A 75 2.752 -7.451 5.925 1.00 0.00 C ATOM 1233 O PHE A 75 3.873 -7.868 6.217 1.00 0.00 O ATOM 1234 CB PHE A 75 2.173 -5.017 6.094 1.00 0.00 C ATOM 1235 CG PHE A 75 2.476 -3.638 5.567 1.00 0.00 C ATOM 1236 CD1 PHE A 75 2.141 -3.283 4.268 1.00 0.00 C ATOM 1237 CD2 PHE A 75 3.093 -2.696 6.374 1.00 0.00 C ATOM 1238 CE1 PHE A 75 2.420 -2.020 3.785 1.00 0.00 C ATOM 1239 CE2 PHE A 75 3.373 -1.430 5.895 1.00 0.00 C ATOM 1240 CZ PHE A 75 3.035 -1.091 4.601 1.00 0.00 C ATOM 0 H PHE A 75 0.727 -5.807 4.234 1.00 0.00 H new ATOM 0 HA PHE A 75 3.546 -5.898 4.689 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.104 -5.094 6.291 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.683 -5.152 7.048 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.656 -4.004 3.627 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.358 -2.954 7.389 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.158 -1.759 2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.857 -0.706 6.534 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.251 -0.101 4.227 1.00 0.00 H new ATOM 1250 N SER A 76 1.628 -8.091 6.258 1.00 0.00 N ATOM 1251 CA SER A 76 1.652 -9.351 7.004 1.00 0.00 C ATOM 1252 C SER A 76 2.324 -10.459 6.192 1.00 0.00 C ATOM 1253 O SER A 76 3.001 -11.323 6.753 1.00 0.00 O ATOM 1254 CB SER A 76 0.232 -9.777 7.392 1.00 0.00 C ATOM 1255 OG SER A 76 -0.133 -9.250 8.656 1.00 0.00 O ATOM 0 H SER A 76 0.693 -7.758 6.023 1.00 0.00 H new ATOM 0 HA SER A 76 2.233 -9.187 7.912 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.473 -9.434 6.635 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.170 -10.865 7.417 1.00 0.00 H new ATOM 0 HG SER A 76 -1.044 -9.535 8.879 1.00 0.00 H new ATOM 1261 N ASN A 77 2.135 -10.429 4.872 1.00 0.00 N ATOM 1262 CA ASN A 77 2.728 -11.431 3.989 1.00 0.00 C ATOM 1263 C ASN A 77 4.250 -11.405 4.084 1.00 0.00 C ATOM 1264 O ASN A 77 4.894 -12.454 4.127 1.00 0.00 O ATOM 1265 CB ASN A 77 2.294 -11.197 2.539 1.00 0.00 C ATOM 1266 CG ASN A 77 1.232 -12.182 2.083 1.00 0.00 C ATOM 1267 OD1 ASN A 77 1.123 -13.287 2.615 1.00 0.00 O ATOM 1268 ND2 ASN A 77 0.445 -11.789 1.089 1.00 0.00 N ATOM 0 H ASN A 77 1.577 -9.723 4.393 1.00 0.00 H new ATOM 0 HA ASN A 77 2.374 -12.411 4.310 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.911 -10.182 2.437 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.163 -11.277 1.886 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.283 -12.411 0.739 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.569 -10.865 0.676 1.00 0.00 H new ATOM 1275 N CYS A 78 4.818 -10.199 4.124 1.00 0.00 N ATOM 1276 CA CYS A 78 6.266 -10.035 4.223 1.00 0.00 C ATOM 1277 C CYS A 78 6.802 -10.701 5.489 1.00 0.00 C ATOM 1278 O CYS A 78 7.847 -11.353 5.460 1.00 0.00 O ATOM 1279 CB CYS A 78 6.636 -8.549 4.214 1.00 0.00 C ATOM 1280 SG CYS A 78 7.473 -8.006 2.707 1.00 0.00 S ATOM 0 H CYS A 78 4.297 -9.323 4.089 1.00 0.00 H new ATOM 0 HA CYS A 78 6.722 -10.518 3.359 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.729 -7.959 4.346 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.279 -8.340 5.069 1.00 0.00 H new ATOM 0 HG CYS A 78 7.742 -6.737 2.793 1.00 0.00 H new ATOM 1286 N TYR A 79 6.075 -10.541 6.596 1.00 0.00 N ATOM 1287 CA TYR A 79 6.473 -11.136 7.868 1.00 0.00 C ATOM 1288 C TYR A 79 6.431 -12.663 7.792 1.00 0.00 C ATOM 1289 O TYR A 79 7.301 -13.341 8.341 1.00 0.00 O ATOM 1290 CB TYR A 79 5.565 -10.637 8.996 1.00 0.00 C ATOM 1291 CG TYR A 79 6.202 -9.570 9.860 1.00 0.00 C ATOM 1292 CD1 TYR A 79 6.770 -8.433 9.293 1.00 0.00 C ATOM 1293 CD2 TYR A 79 6.236 -9.699 11.243 1.00 0.00 C ATOM 1294 CE1 TYR A 79 7.355 -7.460 10.081 1.00 0.00 C ATOM 1295 CE2 TYR A 79 6.819 -8.729 12.036 1.00 0.00 C ATOM 1296 CZ TYR A 79 7.376 -7.612 11.452 1.00 0.00 C ATOM 1297 OH TYR A 79 7.961 -6.646 12.239 1.00 0.00 O ATOM 0 H TYR A 79 5.208 -10.004 6.635 1.00 0.00 H new ATOM 0 HA TYR A 79 7.498 -10.832 8.080 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.646 -10.241 8.563 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.283 -11.482 9.625 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.753 -8.309 8.220 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.800 -10.572 11.706 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.794 -6.585 9.626 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.838 -8.846 13.109 1.00 0.00 H new ATOM 0 HH TYR A 79 7.890 -6.905 13.182 1.00 0.00 H new ATOM 1307 N LYS A 80 5.421 -13.198 7.102 1.00 0.00 N ATOM 1308 CA LYS A 80 5.279 -14.647 6.949 1.00 0.00 C ATOM 1309 C LYS A 80 6.389 -15.219 6.063 1.00 0.00 C ATOM 1310 O LYS A 80 6.851 -16.338 6.286 1.00 0.00 O ATOM 1311 CB LYS A 80 3.907 -14.998 6.364 1.00 0.00 C ATOM 1312 CG LYS A 80 3.029 -15.807 7.310 1.00 0.00 C ATOM 1313 CD LYS A 80 2.630 -17.145 6.703 1.00 0.00 C ATOM 1314 CE LYS A 80 3.100 -18.314 7.561 1.00 0.00 C ATOM 1315 NZ LYS A 80 2.015 -18.845 8.439 1.00 0.00 N ATOM 0 H LYS A 80 4.692 -12.652 6.642 1.00 0.00 H new ATOM 0 HA LYS A 80 5.364 -15.095 7.939 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.388 -14.077 6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.048 -15.561 5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.562 -15.976 8.246 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.133 -15.236 7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.546 -17.186 6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.055 -17.233 5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.465 -19.112 6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.940 -17.994 8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.382 -19.638 9.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.683 -18.092 9.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.223 -19.175 7.851 1.00 0.00 H new ATOM 1329 N TYR A 81 6.814 -14.444 5.061 1.00 0.00 N ATOM 1330 CA TYR A 81 7.872 -14.876 4.148 1.00 0.00 C ATOM 1331 C TYR A 81 9.236 -14.871 4.846 1.00 0.00 C ATOM 1332 O TYR A 81 9.985 -15.843 4.756 1.00 0.00 O ATOM 1333 CB TYR A 81 7.906 -13.976 2.906 1.00 0.00 C ATOM 1334 CG TYR A 81 8.316 -14.694 1.633 1.00 0.00 C ATOM 1335 CD1 TYR A 81 7.677 -15.861 1.227 1.00 0.00 C ATOM 1336 CD2 TYR A 81 9.344 -14.201 0.836 1.00 0.00 C ATOM 1337 CE1 TYR A 81 8.050 -16.514 0.067 1.00 0.00 C ATOM 1338 CE2 TYR A 81 9.722 -14.848 -0.325 1.00 0.00 C ATOM 1339 CZ TYR A 81 9.073 -16.004 -0.706 1.00 0.00 C ATOM 1340 OH TYR A 81 9.451 -16.651 -1.863 1.00 0.00 O ATOM 0 H TYR A 81 6.441 -13.516 4.863 1.00 0.00 H new ATOM 0 HA TYR A 81 7.654 -15.897 3.836 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.919 -13.537 2.761 1.00 0.00 H new ATOM 0 HB3 TYR A 81 8.598 -13.153 3.085 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.876 -16.264 1.828 1.00 0.00 H new ATOM 0 HD2 TYR A 81 9.856 -13.296 1.130 1.00 0.00 H new ATOM 0 HE1 TYR A 81 7.543 -17.419 -0.233 1.00 0.00 H new ATOM 0 HE2 TYR A 81 10.522 -14.450 -0.932 1.00 0.00 H new ATOM 0 HH TYR A 81 10.185 -16.159 -2.288 1.00 0.00 H new ATOM 1350 N ASN A 82 9.551 -13.774 5.544 1.00 0.00 N ATOM 1351 CA ASN A 82 10.826 -13.655 6.260 1.00 0.00 C ATOM 1352 C ASN A 82 10.653 -12.902 7.582 1.00 0.00 C ATOM 1353 O ASN A 82 9.890 -11.936 7.657 1.00 0.00 O ATOM 1354 CB ASN A 82 11.870 -12.937 5.395 1.00 0.00 C ATOM 1355 CG ASN A 82 12.178 -13.680 4.108 1.00 0.00 C ATOM 1356 OD1 ASN A 82 12.943 -14.645 4.104 1.00 0.00 O ATOM 1357 ND2 ASN A 82 11.586 -13.233 3.005 1.00 0.00 N ATOM 0 H ASN A 82 8.943 -12.959 5.628 1.00 0.00 H new ATOM 0 HA ASN A 82 11.173 -14.665 6.477 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.510 -11.937 5.155 1.00 0.00 H new ATOM 0 HB3 ASN A 82 12.789 -12.816 5.968 1.00 0.00 H new ATOM 0 HD21 ASN A 82 11.759 -13.693 2.111 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.959 -12.430 3.052 1.00 0.00 H new ATOM 1364 N PRO A 83 11.372 -13.331 8.642 1.00 0.00 N ATOM 1365 CA PRO A 83 11.304 -12.688 9.963 1.00 0.00 C ATOM 1366 C PRO A 83 11.965 -11.309 9.967 1.00 0.00 C ATOM 1367 O PRO A 83 12.761 -10.992 9.080 1.00 0.00 O ATOM 1368 CB PRO A 83 12.068 -13.656 10.869 1.00 0.00 C ATOM 1369 CG PRO A 83 13.017 -14.353 9.958 1.00 0.00 C ATOM 1370 CD PRO A 83 12.314 -14.468 8.633 1.00 0.00 C ATOM 0 HA PRO A 83 10.277 -12.511 10.282 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.596 -13.125 11.661 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.393 -14.362 11.354 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.946 -13.791 9.859 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.279 -15.337 10.347 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.014 -14.402 7.800 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.793 -15.420 8.537 1.00 0.00 H new ATOM 1378 N PRO A 84 11.640 -10.466 10.967 1.00 0.00 N ATOM 1379 CA PRO A 84 12.202 -9.118 11.075 1.00 0.00 C ATOM 1380 C PRO A 84 13.686 -9.133 11.419 1.00 0.00 C ATOM 1381 O PRO A 84 14.072 -9.360 12.567 1.00 0.00 O ATOM 1382 CB PRO A 84 11.405 -8.458 12.199 1.00 0.00 C ATOM 1383 CG PRO A 84 10.271 -9.385 12.501 1.00 0.00 C ATOM 1384 CD PRO A 84 10.704 -10.755 12.059 1.00 0.00 C ATOM 0 HA PRO A 84 12.129 -8.586 10.127 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.028 -8.304 13.080 1.00 0.00 H new ATOM 0 HB3 PRO A 84 11.037 -7.479 11.893 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.038 -9.377 13.566 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.368 -9.076 11.975 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.184 -11.307 12.867 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.860 -11.356 11.720 1.00 0.00 H new ATOM 1392 N ASP A 85 14.503 -8.882 10.405 1.00 0.00 N ATOM 1393 CA ASP A 85 15.961 -8.850 10.549 1.00 0.00 C ATOM 1394 C ASP A 85 16.627 -8.508 9.210 1.00 0.00 C ATOM 1395 O ASP A 85 17.624 -9.121 8.823 1.00 0.00 O ATOM 1396 CB ASP A 85 16.484 -10.200 11.072 1.00 0.00 C ATOM 1397 CG ASP A 85 16.902 -10.143 12.531 1.00 0.00 C ATOM 1398 OD1 ASP A 85 17.650 -9.214 12.903 1.00 0.00 O ATOM 1399 OD2 ASP A 85 16.483 -11.032 13.302 1.00 0.00 O ATOM 0 H ASP A 85 14.178 -8.694 9.457 1.00 0.00 H new ATOM 0 HA ASP A 85 16.214 -8.075 11.273 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.709 -10.957 10.950 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.334 -10.514 10.467 1.00 0.00 H new ATOM 1404 N HIS A 86 16.060 -7.529 8.499 1.00 0.00 N ATOM 1405 CA HIS A 86 16.592 -7.117 7.201 1.00 0.00 C ATOM 1406 C HIS A 86 16.054 -5.746 6.788 1.00 0.00 C ATOM 1407 O HIS A 86 15.164 -5.192 7.439 1.00 0.00 O ATOM 1408 CB HIS A 86 16.232 -8.160 6.136 1.00 0.00 C ATOM 1409 CG HIS A 86 17.291 -8.356 5.093 1.00 0.00 C ATOM 1410 ND1 HIS A 86 17.174 -7.883 3.802 1.00 0.00 N ATOM 1411 CD2 HIS A 86 18.488 -8.988 5.152 1.00 0.00 C ATOM 1412 CE1 HIS A 86 18.250 -8.218 3.113 1.00 0.00 C ATOM 1413 NE2 HIS A 86 19.063 -8.888 3.909 1.00 0.00 N ATOM 0 H HIS A 86 15.236 -7.010 8.801 1.00 0.00 H new ATOM 0 HA HIS A 86 17.676 -7.042 7.288 1.00 0.00 H new ATOM 0 HB2 HIS A 86 16.039 -9.114 6.627 1.00 0.00 H new ATOM 0 HB3 HIS A 86 15.305 -7.860 5.647 1.00 0.00 H new ATOM 0 HD2 HIS A 86 18.911 -9.479 6.016 1.00 0.00 H new ATOM 0 HE1 HIS A 86 18.434 -7.984 2.075 1.00 0.00 H new ATOM 0 HE2 HIS A 86 19.971 -9.269 3.644 1.00 0.00 H new ATOM 1422 N ASP A 87 16.601 -5.208 5.695 1.00 0.00 N ATOM 1423 CA ASP A 87 16.180 -3.905 5.182 1.00 0.00 C ATOM 1424 C ASP A 87 14.747 -3.950 4.653 1.00 0.00 C ATOM 1425 O ASP A 87 13.989 -2.993 4.818 1.00 0.00 O ATOM 1426 CB ASP A 87 17.123 -3.437 4.071 1.00 0.00 C ATOM 1427 CG ASP A 87 17.369 -1.942 4.123 1.00 0.00 C ATOM 1428 OD1 ASP A 87 18.279 -1.516 4.865 1.00 0.00 O ATOM 1429 OD2 ASP A 87 16.649 -1.197 3.425 1.00 0.00 O ATOM 0 H ASP A 87 17.337 -5.656 5.149 1.00 0.00 H new ATOM 0 HA ASP A 87 16.219 -3.198 6.011 1.00 0.00 H new ATOM 0 HB2 ASP A 87 18.074 -3.963 4.157 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.700 -3.701 3.102 1.00 0.00 H new ATOM 1434 N VAL A 88 14.384 -5.062 4.013 1.00 0.00 N ATOM 1435 CA VAL A 88 13.043 -5.228 3.456 1.00 0.00 C ATOM 1436 C VAL A 88 11.970 -5.172 4.549 1.00 0.00 C ATOM 1437 O VAL A 88 10.903 -4.587 4.347 1.00 0.00 O ATOM 1438 CB VAL A 88 12.916 -6.553 2.664 1.00 0.00 C ATOM 1439 CG1 VAL A 88 13.100 -7.763 3.573 1.00 0.00 C ATOM 1440 CG2 VAL A 88 11.577 -6.617 1.941 1.00 0.00 C ATOM 0 H VAL A 88 15.001 -5.861 3.868 1.00 0.00 H new ATOM 0 HA VAL A 88 12.883 -4.397 2.769 1.00 0.00 H new ATOM 0 HB VAL A 88 13.712 -6.576 1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 88 13.005 -8.677 2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 88 14.088 -7.727 4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 88 12.338 -7.752 4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.506 -7.555 1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.767 -6.561 2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.498 -5.781 1.246 1.00 0.00 H new ATOM 1450 N VAL A 89 12.256 -5.774 5.704 1.00 0.00 N ATOM 1451 CA VAL A 89 11.311 -5.777 6.819 1.00 0.00 C ATOM 1452 C VAL A 89 11.120 -4.364 7.369 1.00 0.00 C ATOM 1453 O VAL A 89 9.990 -3.910 7.557 1.00 0.00 O ATOM 1454 CB VAL A 89 11.763 -6.713 7.962 1.00 0.00 C ATOM 1455 CG1 VAL A 89 10.668 -6.843 9.013 1.00 0.00 C ATOM 1456 CG2 VAL A 89 12.153 -8.082 7.417 1.00 0.00 C ATOM 0 H VAL A 89 13.131 -6.264 5.891 1.00 0.00 H new ATOM 0 HA VAL A 89 10.365 -6.150 6.427 1.00 0.00 H new ATOM 0 HB VAL A 89 12.641 -6.274 8.436 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.005 -7.506 9.810 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.444 -5.861 9.429 1.00 0.00 H new ATOM 0 HG13 VAL A 89 9.770 -7.255 8.553 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.468 -8.725 8.239 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.297 -8.531 6.913 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.974 -7.971 6.708 1.00 0.00 H new ATOM 1466 N ALA A 90 12.234 -3.671 7.616 1.00 0.00 N ATOM 1467 CA ALA A 90 12.192 -2.305 8.134 1.00 0.00 C ATOM 1468 C ALA A 90 11.544 -1.353 7.126 1.00 0.00 C ATOM 1469 O ALA A 90 10.943 -0.349 7.513 1.00 0.00 O ATOM 1470 CB ALA A 90 13.592 -1.826 8.490 1.00 0.00 C ATOM 0 H ALA A 90 13.175 -4.035 7.465 1.00 0.00 H new ATOM 0 HA ALA A 90 11.583 -2.307 9.038 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.541 -0.807 8.874 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.018 -2.480 9.251 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.221 -1.847 7.600 1.00 0.00 H new ATOM 1476 N MET A 91 11.666 -1.674 5.833 1.00 0.00 N ATOM 1477 CA MET A 91 11.085 -0.844 4.778 1.00 0.00 C ATOM 1478 C MET A 91 9.568 -0.749 4.944 1.00 0.00 C ATOM 1479 O MET A 91 8.997 0.340 4.874 1.00 0.00 O ATOM 1480 CB MET A 91 11.419 -1.419 3.394 1.00 0.00 C ATOM 1481 CG MET A 91 12.419 -0.588 2.602 1.00 0.00 C ATOM 1482 SD MET A 91 13.168 -1.516 1.248 1.00 0.00 S ATOM 1483 CE MET A 91 13.996 -0.207 0.346 1.00 0.00 C ATOM 0 H MET A 91 12.160 -2.500 5.495 1.00 0.00 H new ATOM 0 HA MET A 91 11.514 0.155 4.859 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.816 -2.427 3.517 1.00 0.00 H new ATOM 0 HB3 MET A 91 10.498 -1.508 2.817 1.00 0.00 H new ATOM 0 HG2 MET A 91 11.918 0.293 2.201 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.202 -0.232 3.271 1.00 0.00 H new ATOM 0 HE1 MET A 91 14.830 -0.625 -0.217 1.00 0.00 H new ATOM 0 HE2 MET A 91 13.292 0.262 -0.342 1.00 0.00 H new ATOM 0 HE3 MET A 91 14.369 0.539 1.048 1.00 0.00 H new ATOM 1493 N ALA A 92 8.924 -1.896 5.175 1.00 0.00 N ATOM 1494 CA ALA A 92 7.475 -1.944 5.360 1.00 0.00 C ATOM 1495 C ALA A 92 7.058 -1.191 6.621 1.00 0.00 C ATOM 1496 O ALA A 92 6.126 -0.388 6.590 1.00 0.00 O ATOM 1497 CB ALA A 92 6.992 -3.388 5.417 1.00 0.00 C ATOM 0 H ALA A 92 9.385 -2.803 5.238 1.00 0.00 H new ATOM 0 HA ALA A 92 7.009 -1.455 4.505 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.911 -3.405 5.555 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.247 -3.894 4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.472 -3.900 6.251 1.00 0.00 H new ATOM 1503 N ARG A 93 7.755 -1.453 7.730 1.00 0.00 N ATOM 1504 CA ARG A 93 7.451 -0.791 9.000 1.00 0.00 C ATOM 1505 C ARG A 93 7.497 0.730 8.852 1.00 0.00 C ATOM 1506 O ARG A 93 6.658 1.436 9.411 1.00 0.00 O ATOM 1507 CB ARG A 93 8.434 -1.237 10.087 1.00 0.00 C ATOM 1508 CG ARG A 93 8.011 -0.839 11.496 1.00 0.00 C ATOM 1509 CD ARG A 93 7.477 -2.029 12.277 1.00 0.00 C ATOM 1510 NE ARG A 93 6.177 -2.478 11.775 1.00 0.00 N ATOM 1511 CZ ARG A 93 5.646 -3.675 12.039 1.00 0.00 C ATOM 1512 NH1 ARG A 93 6.286 -4.541 12.820 1.00 0.00 N ATOM 1513 NH2 ARG A 93 4.466 -4.007 11.528 1.00 0.00 N ATOM 0 H ARG A 93 8.529 -2.115 7.774 1.00 0.00 H new ATOM 0 HA ARG A 93 6.441 -1.080 9.292 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.544 -2.321 10.043 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.414 -0.808 9.877 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.862 -0.409 12.024 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.245 -0.065 11.442 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.191 -2.850 12.219 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.386 -1.760 13.329 1.00 0.00 H new ATOM 0 HE ARG A 93 5.644 -1.837 11.187 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.190 -4.293 13.223 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.873 -5.453 13.016 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.964 -3.348 10.933 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.062 -4.921 11.730 1.00 0.00 H new ATOM 1527 N LYS A 94 8.476 1.227 8.090 1.00 0.00 N ATOM 1528 CA LYS A 94 8.619 2.665 7.867 1.00 0.00 C ATOM 1529 C LYS A 94 7.377 3.241 7.183 1.00 0.00 C ATOM 1530 O LYS A 94 6.968 4.365 7.475 1.00 0.00 O ATOM 1531 CB LYS A 94 9.866 2.961 7.023 1.00 0.00 C ATOM 1532 CG LYS A 94 11.110 3.255 7.850 1.00 0.00 C ATOM 1533 CD LYS A 94 12.211 3.885 7.006 1.00 0.00 C ATOM 1534 CE LYS A 94 12.869 5.055 7.725 1.00 0.00 C ATOM 1535 NZ LYS A 94 14.094 4.642 8.470 1.00 0.00 N ATOM 0 H LYS A 94 9.178 0.655 7.620 1.00 0.00 H new ATOM 0 HA LYS A 94 8.731 3.143 8.840 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.065 2.108 6.374 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.661 3.813 6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.852 3.925 8.670 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.477 2.331 8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.964 3.133 6.769 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.793 4.227 6.059 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.130 5.825 6.999 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.156 5.500 8.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.508 5.470 8.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.843 3.926 9.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.786 4.241 7.805 1.00 0.00 H new ATOM 1549 N LEU A 95 6.776 2.465 6.278 1.00 0.00 N ATOM 1550 CA LEU A 95 5.577 2.905 5.564 1.00 0.00 C ATOM 1551 C LEU A 95 4.326 2.728 6.426 1.00 0.00 C ATOM 1552 O LEU A 95 3.390 3.524 6.340 1.00 0.00 O ATOM 1553 CB LEU A 95 5.416 2.133 4.252 1.00 0.00 C ATOM 1554 CG LEU A 95 6.487 2.422 3.196 1.00 0.00 C ATOM 1555 CD1 LEU A 95 7.118 1.127 2.702 1.00 0.00 C ATOM 1556 CD2 LEU A 95 5.896 3.211 2.034 1.00 0.00 C ATOM 0 H LEU A 95 7.099 1.532 6.023 1.00 0.00 H new ATOM 0 HA LEU A 95 5.696 3.965 5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.423 1.066 4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.438 2.364 3.829 1.00 0.00 H new ATOM 0 HG LEU A 95 7.268 3.027 3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.876 1.354 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 95 7.581 0.605 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.349 0.493 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.673 3.406 1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.093 2.635 1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.499 4.157 2.401 1.00 0.00 H new ATOM 1568 N GLN A 96 4.314 1.681 7.256 1.00 0.00 N ATOM 1569 CA GLN A 96 3.176 1.406 8.133 1.00 0.00 C ATOM 1570 C GLN A 96 2.868 2.604 9.032 1.00 0.00 C ATOM 1571 O GLN A 96 1.703 2.948 9.239 1.00 0.00 O ATOM 1572 CB GLN A 96 3.447 0.168 8.994 1.00 0.00 C ATOM 1573 CG GLN A 96 2.221 -0.709 9.204 1.00 0.00 C ATOM 1574 CD GLN A 96 1.758 -0.732 10.648 1.00 0.00 C ATOM 1575 OE1 GLN A 96 2.220 -1.548 11.446 1.00 0.00 O ATOM 1576 NE2 GLN A 96 0.840 0.165 10.992 1.00 0.00 N ATOM 0 H GLN A 96 5.079 1.012 7.338 1.00 0.00 H new ATOM 0 HA GLN A 96 2.309 1.218 7.500 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.232 -0.426 8.525 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.826 0.487 9.965 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.409 -0.349 8.572 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.447 -1.726 8.883 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.485 0.823 10.298 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.491 0.196 11.950 1.00 0.00 H new ATOM 1585 N ASP A 97 3.920 3.237 9.560 1.00 0.00 N ATOM 1586 CA ASP A 97 3.763 4.398 10.436 1.00 0.00 C ATOM 1587 C ASP A 97 3.127 5.569 9.688 1.00 0.00 C ATOM 1588 O ASP A 97 2.271 6.271 10.228 1.00 0.00 O ATOM 1589 CB ASP A 97 5.119 4.820 11.015 1.00 0.00 C ATOM 1590 CG ASP A 97 5.429 4.133 12.333 1.00 0.00 C ATOM 1591 OD1 ASP A 97 4.543 4.104 13.213 1.00 0.00 O ATOM 1592 OD2 ASP A 97 6.558 3.624 12.483 1.00 0.00 O ATOM 0 H ASP A 97 4.889 2.964 9.395 1.00 0.00 H new ATOM 0 HA ASP A 97 3.101 4.113 11.254 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.905 4.590 10.296 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.127 5.900 11.161 1.00 0.00 H new ATOM 1597 N VAL A 98 3.544 5.768 8.440 1.00 0.00 N ATOM 1598 CA VAL A 98 3.007 6.847 7.618 1.00 0.00 C ATOM 1599 C VAL A 98 1.550 6.573 7.237 1.00 0.00 C ATOM 1600 O VAL A 98 0.744 7.500 7.137 1.00 0.00 O ATOM 1601 CB VAL A 98 3.838 7.053 6.333 1.00 0.00 C ATOM 1602 CG1 VAL A 98 3.381 8.306 5.598 1.00 0.00 C ATOM 1603 CG2 VAL A 98 5.324 7.129 6.662 1.00 0.00 C ATOM 0 H VAL A 98 4.251 5.197 7.977 1.00 0.00 H new ATOM 0 HA VAL A 98 3.060 7.756 8.217 1.00 0.00 H new ATOM 0 HB VAL A 98 3.679 6.196 5.678 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.977 8.436 4.695 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.330 8.206 5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.508 9.174 6.245 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.893 7.274 5.744 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.505 7.965 7.337 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.639 6.202 7.141 1.00 0.00 H new ATOM 1613 N PHE A 99 1.218 5.295 7.026 1.00 0.00 N ATOM 1614 CA PHE A 99 -0.141 4.903 6.656 1.00 0.00 C ATOM 1615 C PHE A 99 -1.130 5.212 7.780 1.00 0.00 C ATOM 1616 O PHE A 99 -2.184 5.801 7.537 1.00 0.00 O ATOM 1617 CB PHE A 99 -0.194 3.412 6.312 1.00 0.00 C ATOM 1618 CG PHE A 99 -0.979 3.110 5.066 1.00 0.00 C ATOM 1619 CD1 PHE A 99 -0.420 3.310 3.813 1.00 0.00 C ATOM 1620 CD2 PHE A 99 -2.276 2.627 5.147 1.00 0.00 C ATOM 1621 CE1 PHE A 99 -1.139 3.034 2.666 1.00 0.00 C ATOM 1622 CE2 PHE A 99 -2.999 2.350 4.002 1.00 0.00 C ATOM 1623 CZ PHE A 99 -2.430 2.554 2.761 1.00 0.00 C ATOM 0 H PHE A 99 1.873 4.517 7.106 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.426 5.482 5.778 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.823 3.039 6.190 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.634 2.870 7.149 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.589 3.686 3.733 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.726 2.465 6.115 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.692 3.194 1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.009 1.974 4.078 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.994 2.338 1.866 1.00 0.00 H new ATOM 1633 N GLU A 100 -0.784 4.819 9.009 1.00 0.00 N ATOM 1634 CA GLU A 100 -1.653 5.067 10.160 1.00 0.00 C ATOM 1635 C GLU A 100 -1.830 6.566 10.394 1.00 0.00 C ATOM 1636 O GLU A 100 -2.926 7.021 10.724 1.00 0.00 O ATOM 1637 CB GLU A 100 -1.108 4.392 11.425 1.00 0.00 C ATOM 1638 CG GLU A 100 0.322 4.777 11.775 1.00 0.00 C ATOM 1639 CD GLU A 100 0.813 4.101 13.039 1.00 0.00 C ATOM 1640 OE1 GLU A 100 1.361 2.983 12.938 1.00 0.00 O ATOM 1641 OE2 GLU A 100 0.644 4.685 14.131 1.00 0.00 O ATOM 0 H GLU A 100 0.084 4.332 9.231 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.627 4.632 9.936 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.755 4.644 12.265 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.159 3.311 11.296 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.979 4.512 10.947 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.384 5.858 11.898 1.00 0.00 H new ATOM 1648 N PHE A 101 -0.750 7.330 10.211 1.00 0.00 N ATOM 1649 CA PHE A 101 -0.800 8.779 10.394 1.00 0.00 C ATOM 1650 C PHE A 101 -1.765 9.416 9.394 1.00 0.00 C ATOM 1651 O PHE A 101 -2.507 10.337 9.738 1.00 0.00 O ATOM 1652 CB PHE A 101 0.596 9.389 10.226 1.00 0.00 C ATOM 1653 CG PHE A 101 0.951 10.392 11.289 1.00 0.00 C ATOM 1654 CD1 PHE A 101 0.149 11.501 11.514 1.00 0.00 C ATOM 1655 CD2 PHE A 101 2.089 10.226 12.061 1.00 0.00 C ATOM 1656 CE1 PHE A 101 0.475 12.423 12.491 1.00 0.00 C ATOM 1657 CE2 PHE A 101 2.420 11.145 13.039 1.00 0.00 C ATOM 1658 CZ PHE A 101 1.613 12.245 13.253 1.00 0.00 C ATOM 0 H PHE A 101 0.164 6.970 9.938 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.157 8.980 11.404 1.00 0.00 H new ATOM 0 HB2 PHE A 101 1.336 8.588 10.233 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.657 9.871 9.250 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -0.741 11.646 10.919 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.725 9.369 11.897 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.159 13.281 12.658 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.309 11.003 13.635 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.871 12.965 14.015 1.00 0.00 H new ATOM 1668 N ARG A 102 -1.760 8.909 8.157 1.00 0.00 N ATOM 1669 CA ARG A 102 -2.644 9.421 7.110 1.00 0.00 C ATOM 1670 C ARG A 102 -4.099 9.030 7.385 1.00 0.00 C ATOM 1671 O ARG A 102 -5.020 9.786 7.069 1.00 0.00 O ATOM 1672 CB ARG A 102 -2.218 8.900 5.732 1.00 0.00 C ATOM 1673 CG ARG A 102 -0.955 9.552 5.183 1.00 0.00 C ATOM 1674 CD ARG A 102 -1.216 10.976 4.710 1.00 0.00 C ATOM 1675 NE ARG A 102 -0.822 11.181 3.314 1.00 0.00 N ATOM 1676 CZ ARG A 102 -0.889 12.359 2.683 1.00 0.00 C ATOM 1677 NH1 ARG A 102 -1.333 13.443 3.316 1.00 0.00 N ATOM 1678 NH2 ARG A 102 -0.510 12.454 1.413 1.00 0.00 N ATOM 0 H ARG A 102 -1.153 8.145 7.858 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.566 10.508 7.114 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.060 7.823 5.796 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -3.033 9.061 5.027 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -0.185 9.560 5.954 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.570 8.958 4.354 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.276 11.205 4.823 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.669 11.673 5.345 1.00 0.00 H new ATOM 0 HE ARG A 102 -0.475 10.377 2.791 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -1.626 13.380 4.291 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -1.380 14.336 2.826 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -0.168 11.629 0.920 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -0.561 13.352 0.931 1.00 0.00 H new ATOM 1692 N TYR A 103 -4.300 7.848 7.978 1.00 0.00 N ATOM 1693 CA TYR A 103 -5.645 7.364 8.299 1.00 0.00 C ATOM 1694 C TYR A 103 -6.369 8.317 9.255 1.00 0.00 C ATOM 1695 O TYR A 103 -7.598 8.377 9.259 1.00 0.00 O ATOM 1696 CB TYR A 103 -5.584 5.959 8.911 1.00 0.00 C ATOM 1697 CG TYR A 103 -6.613 4.995 8.347 1.00 0.00 C ATOM 1698 CD1 TYR A 103 -6.805 4.867 6.974 1.00 0.00 C ATOM 1699 CD2 TYR A 103 -7.390 4.209 9.191 1.00 0.00 C ATOM 1700 CE1 TYR A 103 -7.740 3.986 6.462 1.00 0.00 C ATOM 1701 CE2 TYR A 103 -8.326 3.325 8.684 1.00 0.00 C ATOM 1702 CZ TYR A 103 -8.497 3.218 7.320 1.00 0.00 C ATOM 1703 OH TYR A 103 -9.427 2.339 6.812 1.00 0.00 O ATOM 0 H TYR A 103 -3.549 7.211 8.244 1.00 0.00 H new ATOM 0 HA TYR A 103 -6.208 7.322 7.366 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.588 5.547 8.750 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.726 6.037 9.989 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -6.214 5.466 6.297 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -7.261 4.290 10.260 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -7.876 3.900 5.394 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -8.920 2.721 9.354 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.874 1.874 7.549 1.00 0.00 H new ATOM 1713 N ALA A 104 -5.604 9.063 10.061 1.00 0.00 N ATOM 1714 CA ALA A 104 -6.186 10.014 11.010 1.00 0.00 C ATOM 1715 C ALA A 104 -6.958 11.118 10.285 1.00 0.00 C ATOM 1716 O ALA A 104 -8.006 11.562 10.755 1.00 0.00 O ATOM 1717 CB ALA A 104 -5.103 10.617 11.893 1.00 0.00 C ATOM 0 H ALA A 104 -4.585 9.025 10.074 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.889 9.469 11.640 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.554 11.321 12.592 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.603 9.824 12.449 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.375 11.138 11.271 1.00 0.00 H new ATOM 1723 N LYS A 105 -6.439 11.548 9.133 1.00 0.00 N ATOM 1724 CA LYS A 105 -7.086 12.591 8.336 1.00 0.00 C ATOM 1725 C LYS A 105 -8.141 12.002 7.391 1.00 0.00 C ATOM 1726 O LYS A 105 -8.930 12.742 6.802 1.00 0.00 O ATOM 1727 CB LYS A 105 -6.045 13.371 7.527 1.00 0.00 C ATOM 1728 CG LYS A 105 -5.665 14.707 8.147 1.00 0.00 C ATOM 1729 CD LYS A 105 -5.466 15.779 7.084 1.00 0.00 C ATOM 1730 CE LYS A 105 -6.145 17.087 7.468 1.00 0.00 C ATOM 1731 NZ LYS A 105 -7.626 16.941 7.573 1.00 0.00 N ATOM 0 H LYS A 105 -5.572 11.190 8.732 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.587 13.269 9.028 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.148 12.761 7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.433 13.543 6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.444 15.022 8.841 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.749 14.593 8.726 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.400 15.952 6.937 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.866 15.427 6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.747 17.435 8.421 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.908 17.849 6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.080 17.857 7.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.955 16.238 6.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -7.877 16.626 8.532 1.00 0.00 H new ATOM 1745 N MET A 106 -8.152 10.671 7.248 1.00 0.00 N ATOM 1746 CA MET A 106 -9.111 9.991 6.377 1.00 0.00 C ATOM 1747 C MET A 106 -10.555 10.400 6.700 1.00 0.00 C ATOM 1748 O MET A 106 -11.292 10.823 5.807 1.00 0.00 O ATOM 1749 CB MET A 106 -8.952 8.470 6.492 1.00 0.00 C ATOM 1750 CG MET A 106 -9.777 7.687 5.479 1.00 0.00 C ATOM 1751 SD MET A 106 -8.804 6.459 4.586 1.00 0.00 S ATOM 1752 CE MET A 106 -9.065 6.983 2.893 1.00 0.00 C ATOM 0 H MET A 106 -7.505 10.045 7.727 1.00 0.00 H new ATOM 0 HA MET A 106 -8.900 10.294 5.352 1.00 0.00 H new ATOM 0 HB2 MET A 106 -7.900 8.214 6.366 1.00 0.00 H new ATOM 0 HB3 MET A 106 -9.238 8.159 7.497 1.00 0.00 H new ATOM 0 HG2 MET A 106 -10.599 7.189 5.994 1.00 0.00 H new ATOM 0 HG3 MET A 106 -10.222 8.381 4.765 1.00 0.00 H new ATOM 0 HE1 MET A 106 -8.278 6.573 2.260 1.00 0.00 H new ATOM 0 HE2 MET A 106 -10.034 6.623 2.546 1.00 0.00 H new ATOM 0 HE3 MET A 106 -9.042 8.072 2.841 1.00 0.00 H new ATOM 1762 N PRO A 107 -10.986 10.286 7.979 1.00 0.00 N ATOM 1763 CA PRO A 107 -12.350 10.656 8.386 1.00 0.00 C ATOM 1764 C PRO A 107 -12.650 12.132 8.131 1.00 0.00 C ATOM 1765 O PRO A 107 -11.784 12.989 8.314 1.00 0.00 O ATOM 1766 CB PRO A 107 -12.379 10.357 9.890 1.00 0.00 C ATOM 1767 CG PRO A 107 -10.950 10.324 10.307 1.00 0.00 C ATOM 1768 CD PRO A 107 -10.191 9.798 9.124 1.00 0.00 C ATOM 0 HA PRO A 107 -13.102 10.107 7.819 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.931 11.124 10.434 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -12.871 9.406 10.093 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.601 11.318 10.585 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.811 9.683 11.177 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -9.170 10.178 9.098 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -10.126 8.710 9.137 1.00 0.00 H new ATOM 1776 N ASP A 108 -13.878 12.421 7.707 1.00 0.00 N ATOM 1777 CA ASP A 108 -14.289 13.795 7.425 1.00 0.00 C ATOM 1778 C ASP A 108 -14.260 14.653 8.690 1.00 0.00 C ATOM 1779 O ASP A 108 -13.650 15.723 8.706 1.00 0.00 O ATOM 1780 CB ASP A 108 -15.690 13.813 6.808 1.00 0.00 C ATOM 1781 CG ASP A 108 -15.845 14.889 5.749 1.00 0.00 C ATOM 1782 OD1 ASP A 108 -14.929 15.037 4.910 1.00 0.00 O ATOM 1783 OD2 ASP A 108 -16.881 15.583 5.758 1.00 0.00 O ATOM 0 H ASP A 108 -14.605 11.723 7.551 1.00 0.00 H new ATOM 0 HA ASP A 108 -13.580 14.218 6.713 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -15.901 12.839 6.366 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -16.428 13.973 7.594 1.00 0.00 H new