USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 811 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 9 CYS SG : rot -95:sc= 0.362 USER MOD Set 1.2: A 94 CYS SG : rot 165:sc= 2.62 USER MOD Set 2.1: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 91 THR OG1 : rot 169:sc= 0.486 USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0506 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.595 K(o=-0.6,f=-1.6) USER MOD Single : A 5 THR OG1 : rot -171:sc= 1.24 USER MOD Single : A 11 MET CE :methyl -123:sc= -0.175 (180deg=-1.09) USER MOD Single : A 12 ASN : amide:sc= 0.609 K(o=0.61,f=-0.22) USER MOD Single : A 13 MET CE :methyl -146:sc= -1.62 (180deg=-6.32!) USER MOD Single : A 25 TYR OH : rot 1:sc=0.000851 USER MOD Single : A 36 CYS SG : rot -110:sc= 0.327 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= 0.29 (180deg=-0.00164) USER MOD Single : A 44 SER OG : rot 180:sc=0.000579 USER MOD Single : A 59 CYS SG : rot 180:sc= -0.023 USER MOD Single : A 61 LYS NZ :NH3+ -168:sc= -0.0199 (180deg=-0.177) USER MOD Single : A 67 THR OG1 : rot -41:sc= 0.0067 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 66:sc= 0.164 USER MOD Single : A 73 GLN : amide:sc= -0.881 K(o=-0.88,f=-0.0031) USER MOD Single : A 74 LYS NZ :NH3+ -166:sc= 1.21 (180deg=0.978) USER MOD Single : A 76 MET CE :methyl 160:sc= -0.149 (180deg=-0.859) USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 83 LYS NZ :NH3+ 150:sc= 0.385 (180deg=0.0164) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 92 LYS NZ :NH3+ 160:sc= -0.0842 (180deg=-0.484) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.428 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0442 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= -0.118 K(o=-0.12,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.823 11.176 6.168 1.00 0.00 N ATOM 2 CA GLY A 1 12.669 11.144 4.974 1.00 0.00 C ATOM 3 C GLY A 1 13.286 12.500 4.724 1.00 0.00 C ATOM 4 O GLY A 1 13.585 13.222 5.676 1.00 0.00 O ATOM 0 H1 GLY A 1 12.027 10.346 6.761 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.017 12.043 6.708 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.822 11.161 5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.454 10.398 5.098 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.077 10.843 4.110 1.00 0.00 H new ATOM 8 N GLY A 2 13.477 12.852 3.450 1.00 0.00 N ATOM 9 CA GLY A 2 13.892 14.185 3.032 1.00 0.00 C ATOM 10 C GLY A 2 12.676 15.108 2.968 1.00 0.00 C ATOM 11 O GLY A 2 11.947 15.258 3.953 1.00 0.00 O ATOM 0 H GLY A 2 13.345 12.206 2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 2 14.626 14.584 3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 2 14.375 14.136 2.056 1.00 0.00 H new ATOM 15 N HIS A 3 12.438 15.708 1.802 1.00 0.00 N ATOM 16 CA HIS A 3 11.336 16.631 1.537 1.00 0.00 C ATOM 17 C HIS A 3 9.959 15.952 1.685 1.00 0.00 C ATOM 18 O HIS A 3 9.871 14.716 1.705 1.00 0.00 O ATOM 19 CB HIS A 3 11.534 17.237 0.133 1.00 0.00 C ATOM 20 CG HIS A 3 11.818 16.286 -1.001 1.00 0.00 C ATOM 21 ND1 HIS A 3 13.055 15.787 -1.349 1.00 0.00 N ATOM 22 CD2 HIS A 3 10.949 15.961 -2.004 1.00 0.00 C ATOM 23 CE1 HIS A 3 12.933 15.146 -2.519 1.00 0.00 C ATOM 24 NE2 HIS A 3 11.669 15.238 -2.961 1.00 0.00 N ATOM 0 H HIS A 3 13.030 15.558 0.985 1.00 0.00 H new ATOM 0 HA HIS A 3 11.348 17.428 2.281 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.637 17.803 -0.119 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.356 17.951 0.187 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.900 16.215 -2.050 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.733 14.632 -3.031 1.00 0.00 H new ATOM 0 HE2 HIS A 3 11.302 14.853 -3.831 1.00 0.00 H new ATOM 32 N PRO A 4 8.861 16.728 1.774 1.00 0.00 N ATOM 33 CA PRO A 4 7.539 16.238 1.421 1.00 0.00 C ATOM 34 C PRO A 4 7.482 16.032 -0.090 1.00 0.00 C ATOM 35 O PRO A 4 7.783 16.950 -0.862 1.00 0.00 O ATOM 36 CB PRO A 4 6.550 17.313 1.863 1.00 0.00 C ATOM 37 CG PRO A 4 7.376 18.601 1.831 1.00 0.00 C ATOM 38 CD PRO A 4 8.810 18.151 2.098 1.00 0.00 C ATOM 0 HA PRO A 4 7.304 15.288 1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.694 17.370 1.191 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.160 17.112 2.861 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.291 19.101 0.866 1.00 0.00 H new ATOM 0 HG3 PRO A 4 7.036 19.308 2.588 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.514 18.714 1.486 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.084 18.323 3.139 1.00 0.00 H new ATOM 46 N THR A 5 7.097 14.833 -0.495 1.00 0.00 N ATOM 47 CA THR A 5 6.800 14.482 -1.875 1.00 0.00 C ATOM 48 C THR A 5 5.281 14.428 -2.017 1.00 0.00 C ATOM 49 O THR A 5 4.544 14.629 -1.047 1.00 0.00 O ATOM 50 CB THR A 5 7.490 13.151 -2.233 1.00 0.00 C ATOM 51 OG1 THR A 5 7.089 12.166 -1.305 1.00 0.00 O ATOM 52 CG2 THR A 5 9.013 13.283 -2.190 1.00 0.00 C ATOM 0 H THR A 5 6.979 14.051 0.149 1.00 0.00 H new ATOM 0 HA THR A 5 7.186 15.222 -2.576 1.00 0.00 H new ATOM 0 HB THR A 5 7.199 12.873 -3.246 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.622 11.354 -1.439 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.468 12.327 -2.447 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.333 14.041 -2.905 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.325 13.575 -1.187 1.00 0.00 H new ATOM 60 N GLU A 6 4.808 14.178 -3.234 1.00 0.00 N ATOM 61 CA GLU A 6 3.388 14.051 -3.530 1.00 0.00 C ATOM 62 C GLU A 6 2.864 12.646 -3.193 1.00 0.00 C ATOM 63 O GLU A 6 1.687 12.384 -3.444 1.00 0.00 O ATOM 64 CB GLU A 6 3.126 14.493 -4.991 1.00 0.00 C ATOM 65 CG GLU A 6 3.732 15.896 -5.186 1.00 0.00 C ATOM 66 CD GLU A 6 3.246 16.734 -6.372 1.00 0.00 C ATOM 67 OE1 GLU A 6 3.321 16.272 -7.527 1.00 0.00 O ATOM 68 OE2 GLU A 6 2.899 17.923 -6.152 1.00 0.00 O ATOM 0 H GLU A 6 5.408 14.057 -4.050 1.00 0.00 H new ATOM 0 HA GLU A 6 2.814 14.719 -2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.574 13.785 -5.688 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.056 14.509 -5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.548 16.468 -4.276 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.812 15.783 -5.278 1.00 0.00 H new ATOM 75 N VAL A 7 3.686 11.746 -2.623 1.00 0.00 N ATOM 76 CA VAL A 7 3.292 10.372 -2.387 1.00 0.00 C ATOM 77 C VAL A 7 3.479 10.055 -0.899 1.00 0.00 C ATOM 78 O VAL A 7 4.331 10.626 -0.208 1.00 0.00 O ATOM 79 CB VAL A 7 4.102 9.425 -3.296 1.00 0.00 C ATOM 80 CG1 VAL A 7 4.275 9.926 -4.736 1.00 0.00 C ATOM 81 CG2 VAL A 7 5.383 8.887 -2.721 1.00 0.00 C ATOM 0 H VAL A 7 4.635 11.963 -2.319 1.00 0.00 H new ATOM 0 HA VAL A 7 2.241 10.226 -2.637 1.00 0.00 H new ATOM 0 HB VAL A 7 3.446 8.556 -3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.856 9.201 -5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.296 10.050 -5.198 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.797 10.883 -4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.863 8.235 -3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.050 9.715 -2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.166 8.321 -1.815 1.00 0.00 H new ATOM 91 N LEU A 8 2.737 9.065 -0.421 1.00 0.00 N ATOM 92 CA LEU A 8 2.560 8.733 0.977 1.00 0.00 C ATOM 93 C LEU A 8 2.660 7.219 1.110 1.00 0.00 C ATOM 94 O LEU A 8 1.947 6.479 0.440 1.00 0.00 O ATOM 95 CB LEU A 8 1.195 9.296 1.392 1.00 0.00 C ATOM 96 CG LEU A 8 0.642 8.819 2.740 1.00 0.00 C ATOM 97 CD1 LEU A 8 1.616 9.148 3.870 1.00 0.00 C ATOM 98 CD2 LEU A 8 -0.702 9.508 2.998 1.00 0.00 C ATOM 0 H LEU A 8 2.216 8.441 -1.037 1.00 0.00 H new ATOM 0 HA LEU A 8 3.318 9.162 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.268 10.383 1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.471 9.043 0.617 1.00 0.00 H new ATOM 0 HG LEU A 8 0.508 7.738 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.204 8.801 4.818 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.569 8.652 3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.771 10.226 3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.104 9.175 3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.559 10.588 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.401 9.251 2.202 1.00 0.00 H new ATOM 110 N CYS A 9 3.590 6.739 1.928 1.00 0.00 N ATOM 111 CA CYS A 9 3.723 5.328 2.242 1.00 0.00 C ATOM 112 C CYS A 9 2.705 4.988 3.319 1.00 0.00 C ATOM 113 O CYS A 9 2.547 5.726 4.295 1.00 0.00 O ATOM 114 CB CYS A 9 5.118 4.947 2.756 1.00 0.00 C ATOM 115 SG CYS A 9 6.451 6.047 2.231 1.00 0.00 S ATOM 0 H CYS A 9 4.279 7.328 2.395 1.00 0.00 H new ATOM 0 HA CYS A 9 3.558 4.770 1.320 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.094 4.924 3.845 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.349 3.936 2.421 1.00 0.00 H new ATOM 0 HG CYS A 9 7.023 5.560 1.170 1.00 0.00 H new ATOM 121 N LEU A 10 2.085 3.828 3.160 1.00 0.00 N ATOM 122 CA LEU A 10 1.000 3.286 3.948 1.00 0.00 C ATOM 123 C LEU A 10 1.400 1.879 4.366 1.00 0.00 C ATOM 124 O LEU A 10 1.281 0.906 3.614 1.00 0.00 O ATOM 125 CB LEU A 10 -0.276 3.267 3.105 1.00 0.00 C ATOM 126 CG LEU A 10 -0.794 4.640 2.672 1.00 0.00 C ATOM 127 CD1 LEU A 10 -2.011 4.396 1.783 1.00 0.00 C ATOM 128 CD2 LEU A 10 -1.173 5.508 3.868 1.00 0.00 C ATOM 0 H LEU A 10 2.355 3.191 2.410 1.00 0.00 H new ATOM 0 HA LEU A 10 0.807 3.892 4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.094 2.668 2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.059 2.764 3.672 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.013 5.179 2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.415 5.352 1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.716 3.804 0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.772 3.857 2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.536 6.474 3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.956 5.014 4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.298 5.658 4.501 1.00 0.00 H new ATOM 140 N MET A 11 1.955 1.771 5.562 1.00 0.00 N ATOM 141 CA MET A 11 2.359 0.494 6.124 1.00 0.00 C ATOM 142 C MET A 11 1.207 -0.060 6.963 1.00 0.00 C ATOM 143 O MET A 11 0.413 0.713 7.507 1.00 0.00 O ATOM 144 CB MET A 11 3.598 0.744 6.980 1.00 0.00 C ATOM 145 CG MET A 11 4.838 1.067 6.138 1.00 0.00 C ATOM 146 SD MET A 11 6.096 2.061 6.991 1.00 0.00 S ATOM 147 CE MET A 11 5.215 3.641 7.110 1.00 0.00 C ATOM 0 H MET A 11 2.138 2.568 6.171 1.00 0.00 H new ATOM 0 HA MET A 11 2.595 -0.236 5.349 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.402 1.570 7.664 1.00 0.00 H new ATOM 0 HB3 MET A 11 3.797 -0.136 7.591 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.293 0.132 5.812 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.522 1.598 5.240 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.805 4.424 6.634 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.250 3.558 6.609 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.059 3.892 8.159 1.00 0.00 H new ATOM 157 N ASN A 12 1.178 -1.384 7.136 1.00 0.00 N ATOM 158 CA ASN A 12 0.314 -2.148 8.047 1.00 0.00 C ATOM 159 C ASN A 12 -1.145 -2.279 7.574 1.00 0.00 C ATOM 160 O ASN A 12 -2.049 -2.468 8.389 1.00 0.00 O ATOM 161 CB ASN A 12 0.338 -1.588 9.472 1.00 0.00 C ATOM 162 CG ASN A 12 1.675 -1.282 10.131 1.00 0.00 C ATOM 163 OD1 ASN A 12 2.763 -1.636 9.666 1.00 0.00 O ATOM 164 ND2 ASN A 12 1.593 -0.598 11.258 1.00 0.00 N ATOM 0 H ASN A 12 1.800 -1.995 6.607 1.00 0.00 H new ATOM 0 HA ASN A 12 0.745 -3.149 8.043 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.245 -0.667 9.472 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.187 -2.298 10.111 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.441 -0.350 11.767 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.681 -0.318 11.620 1.00 0.00 H new ATOM 171 N MET A 13 -1.409 -2.160 6.274 1.00 0.00 N ATOM 172 CA MET A 13 -2.648 -2.636 5.665 1.00 0.00 C ATOM 173 C MET A 13 -2.488 -4.150 5.501 1.00 0.00 C ATOM 174 O MET A 13 -2.864 -4.915 6.389 1.00 0.00 O ATOM 175 CB MET A 13 -2.893 -1.933 4.309 1.00 0.00 C ATOM 176 CG MET A 13 -3.796 -0.709 4.341 1.00 0.00 C ATOM 177 SD MET A 13 -2.940 0.859 4.036 1.00 0.00 S ATOM 178 CE MET A 13 -1.827 0.857 5.448 1.00 0.00 C ATOM 0 H MET A 13 -0.765 -1.728 5.611 1.00 0.00 H new ATOM 0 HA MET A 13 -3.516 -2.408 6.284 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.928 -1.636 3.898 1.00 0.00 H new ATOM 0 HB3 MET A 13 -3.324 -2.659 3.620 1.00 0.00 H new ATOM 0 HG2 MET A 13 -4.581 -0.832 3.595 1.00 0.00 H new ATOM 0 HG3 MET A 13 -4.286 -0.659 5.314 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.675 1.880 5.793 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.261 0.264 6.253 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.869 0.426 5.156 1.00 0.00 H new ATOM 188 N VAL A 14 -1.864 -4.564 4.401 1.00 0.00 N ATOM 189 CA VAL A 14 -1.992 -5.903 3.848 1.00 0.00 C ATOM 190 C VAL A 14 -0.771 -6.757 4.182 1.00 0.00 C ATOM 191 O VAL A 14 0.301 -6.249 4.544 1.00 0.00 O ATOM 192 CB VAL A 14 -2.236 -5.811 2.323 1.00 0.00 C ATOM 193 CG1 VAL A 14 -3.664 -5.339 2.016 1.00 0.00 C ATOM 194 CG2 VAL A 14 -1.232 -4.872 1.621 1.00 0.00 C ATOM 0 H VAL A 14 -1.243 -3.962 3.860 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.850 -6.398 4.303 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.092 -6.819 1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.805 -5.284 0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.379 -6.044 2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.823 -4.353 2.453 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.447 -4.843 0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.321 -3.868 2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.218 -5.241 1.777 1.00 0.00 H new ATOM 204 N LEU A 15 -0.909 -8.072 4.041 1.00 0.00 N ATOM 205 CA LEU A 15 0.148 -9.048 4.247 1.00 0.00 C ATOM 206 C LEU A 15 0.634 -9.584 2.892 1.00 0.00 C ATOM 207 O LEU A 15 -0.119 -9.579 1.920 1.00 0.00 O ATOM 208 CB LEU A 15 -0.387 -10.192 5.129 1.00 0.00 C ATOM 209 CG LEU A 15 -0.748 -9.863 6.591 1.00 0.00 C ATOM 210 CD1 LEU A 15 0.284 -8.998 7.320 1.00 0.00 C ATOM 211 CD2 LEU A 15 -2.114 -9.215 6.752 1.00 0.00 C ATOM 0 H LEU A 15 -1.794 -8.500 3.770 1.00 0.00 H new ATOM 0 HA LEU A 15 0.994 -8.579 4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.277 -10.598 4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.361 -10.985 5.139 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.760 -10.849 7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.050 -8.816 8.341 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.244 -9.515 7.339 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.395 -8.047 6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.299 -9.013 7.807 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.141 -8.280 6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.883 -9.888 6.372 1.00 0.00 H new ATOM 223 N PRO A 16 1.854 -10.140 2.802 1.00 0.00 N ATOM 224 CA PRO A 16 2.339 -10.808 1.588 1.00 0.00 C ATOM 225 C PRO A 16 1.591 -12.116 1.272 1.00 0.00 C ATOM 226 O PRO A 16 1.873 -12.762 0.264 1.00 0.00 O ATOM 227 CB PRO A 16 3.829 -11.066 1.850 1.00 0.00 C ATOM 228 CG PRO A 16 3.906 -11.186 3.371 1.00 0.00 C ATOM 229 CD PRO A 16 2.866 -10.175 3.846 1.00 0.00 C ATOM 0 HA PRO A 16 2.168 -10.185 0.710 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.172 -11.976 1.357 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.449 -10.250 1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.672 -12.195 3.709 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.902 -10.948 3.745 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.435 -10.475 4.801 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.313 -9.192 3.993 1.00 0.00 H new ATOM 237 N GLU A 17 0.656 -12.521 2.128 1.00 0.00 N ATOM 238 CA GLU A 17 0.024 -13.832 2.166 1.00 0.00 C ATOM 239 C GLU A 17 -1.489 -13.724 1.948 1.00 0.00 C ATOM 240 O GLU A 17 -2.168 -14.746 1.920 1.00 0.00 O ATOM 241 CB GLU A 17 0.432 -14.574 3.458 1.00 0.00 C ATOM 242 CG GLU A 17 0.442 -13.710 4.732 1.00 0.00 C ATOM 243 CD GLU A 17 0.849 -14.465 6.005 1.00 0.00 C ATOM 244 OE1 GLU A 17 1.840 -15.244 5.987 1.00 0.00 O ATOM 245 OE2 GLU A 17 0.222 -14.224 7.065 1.00 0.00 O ATOM 0 H GLU A 17 0.300 -11.903 2.857 1.00 0.00 H new ATOM 0 HA GLU A 17 0.383 -14.441 1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.251 -15.410 3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.427 -14.997 3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.126 -12.875 4.585 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.552 -13.286 4.877 1.00 0.00 H new ATOM 252 N GLU A 18 -2.020 -12.517 1.716 1.00 0.00 N ATOM 253 CA GLU A 18 -3.403 -12.327 1.270 1.00 0.00 C ATOM 254 C GLU A 18 -3.487 -11.962 -0.213 1.00 0.00 C ATOM 255 O GLU A 18 -4.441 -12.358 -0.881 1.00 0.00 O ATOM 256 CB GLU A 18 -4.135 -11.312 2.161 1.00 0.00 C ATOM 257 CG GLU A 18 -3.545 -9.899 2.113 1.00 0.00 C ATOM 258 CD GLU A 18 -4.266 -8.932 3.046 1.00 0.00 C ATOM 259 OE1 GLU A 18 -5.361 -8.444 2.692 1.00 0.00 O ATOM 260 OE2 GLU A 18 -3.706 -8.616 4.119 1.00 0.00 O ATOM 0 H GLU A 18 -1.502 -11.646 1.833 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.915 -13.283 1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.181 -11.268 1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.115 -11.668 3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.490 -9.940 2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.598 -9.521 1.092 1.00 0.00 H new ATOM 267 N LEU A 19 -2.460 -11.276 -0.731 1.00 0.00 N ATOM 268 CA LEU A 19 -2.458 -10.488 -1.974 1.00 0.00 C ATOM 269 C LEU A 19 -2.398 -11.355 -3.249 1.00 0.00 C ATOM 270 O LEU A 19 -1.550 -11.165 -4.128 1.00 0.00 O ATOM 271 CB LEU A 19 -1.289 -9.485 -1.912 1.00 0.00 C ATOM 272 CG LEU A 19 -1.482 -8.333 -0.913 1.00 0.00 C ATOM 273 CD1 LEU A 19 -0.146 -7.599 -0.764 1.00 0.00 C ATOM 274 CD2 LEU A 19 -2.556 -7.346 -1.385 1.00 0.00 C ATOM 0 H LEU A 19 -1.552 -11.254 -0.266 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.407 -9.956 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.379 -10.025 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.136 -9.064 -2.906 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.811 -8.747 0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.260 -6.776 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.610 -8.292 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.163 -7.206 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.663 -6.546 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.263 -6.921 -2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.507 -7.868 -1.494 1.00 0.00 H new ATOM 286 N LEU A 20 -3.252 -12.365 -3.349 1.00 0.00 N ATOM 287 CA LEU A 20 -3.217 -13.421 -4.342 1.00 0.00 C ATOM 288 C LEU A 20 -4.551 -13.547 -5.080 1.00 0.00 C ATOM 289 O LEU A 20 -4.594 -14.226 -6.108 1.00 0.00 O ATOM 290 CB LEU A 20 -2.853 -14.720 -3.618 1.00 0.00 C ATOM 291 CG LEU A 20 -1.486 -14.622 -2.902 1.00 0.00 C ATOM 292 CD1 LEU A 20 -1.586 -15.014 -1.431 1.00 0.00 C ATOM 293 CD2 LEU A 20 -0.458 -15.462 -3.637 1.00 0.00 C ATOM 0 H LEU A 20 -4.031 -12.472 -2.700 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.473 -13.192 -5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.628 -14.958 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.828 -15.540 -4.336 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.162 -13.581 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.604 -14.931 -0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.285 -14.349 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.940 -16.042 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.503 -15.389 -3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.782 -16.503 -3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.355 -15.099 -4.660 1.00 0.00 H new ATOM 305 N ASP A 21 -5.616 -12.878 -4.621 1.00 0.00 N ATOM 306 CA ASP A 21 -6.945 -12.936 -5.232 1.00 0.00 C ATOM 307 C ASP A 21 -7.405 -11.544 -5.625 1.00 0.00 C ATOM 308 O ASP A 21 -7.480 -10.641 -4.791 1.00 0.00 O ATOM 309 CB ASP A 21 -7.977 -13.640 -4.341 1.00 0.00 C ATOM 310 CG ASP A 21 -8.243 -15.045 -4.863 1.00 0.00 C ATOM 311 OD1 ASP A 21 -8.805 -15.182 -5.977 1.00 0.00 O ATOM 312 OD2 ASP A 21 -7.811 -16.019 -4.200 1.00 0.00 O ATOM 0 H ASP A 21 -5.575 -12.272 -3.801 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.862 -13.543 -6.133 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.612 -13.687 -3.315 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.905 -13.068 -4.323 1.00 0.00 H new ATOM 317 N ASP A 22 -7.703 -11.369 -6.910 1.00 0.00 N ATOM 318 CA ASP A 22 -7.931 -10.077 -7.555 1.00 0.00 C ATOM 319 C ASP A 22 -9.204 -9.382 -7.055 1.00 0.00 C ATOM 320 O ASP A 22 -9.405 -8.200 -7.323 1.00 0.00 O ATOM 321 CB ASP A 22 -8.023 -10.294 -9.076 1.00 0.00 C ATOM 322 CG ASP A 22 -7.574 -9.068 -9.870 1.00 0.00 C ATOM 323 OD1 ASP A 22 -6.343 -8.844 -9.916 1.00 0.00 O ATOM 324 OD2 ASP A 22 -8.394 -8.387 -10.535 1.00 0.00 O ATOM 0 H ASP A 22 -7.796 -12.153 -7.556 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.095 -9.425 -7.303 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -7.408 -11.149 -9.356 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.051 -10.540 -9.343 1.00 0.00 H new ATOM 329 N GLU A 23 -10.086 -10.124 -6.383 1.00 0.00 N ATOM 330 CA GLU A 23 -11.409 -9.684 -5.955 1.00 0.00 C ATOM 331 C GLU A 23 -11.279 -8.828 -4.704 1.00 0.00 C ATOM 332 O GLU A 23 -11.571 -7.636 -4.757 1.00 0.00 O ATOM 333 CB GLU A 23 -12.320 -10.903 -5.726 1.00 0.00 C ATOM 334 CG GLU A 23 -12.595 -11.586 -7.071 1.00 0.00 C ATOM 335 CD GLU A 23 -13.406 -12.879 -6.992 1.00 0.00 C ATOM 336 OE1 GLU A 23 -14.215 -13.073 -6.058 1.00 0.00 O ATOM 337 OE2 GLU A 23 -13.246 -13.691 -7.940 1.00 0.00 O ATOM 0 H GLU A 23 -9.887 -11.087 -6.112 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.869 -9.074 -6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.845 -11.603 -5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.257 -10.590 -5.265 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.124 -10.884 -7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.641 -11.803 -7.551 1.00 0.00 H new ATOM 344 N GLU A 24 -10.787 -9.425 -3.616 1.00 0.00 N ATOM 345 CA GLU A 24 -10.479 -8.773 -2.350 1.00 0.00 C ATOM 346 C GLU A 24 -9.506 -7.613 -2.583 1.00 0.00 C ATOM 347 O GLU A 24 -9.616 -6.564 -1.952 1.00 0.00 O ATOM 348 CB GLU A 24 -9.912 -9.869 -1.420 1.00 0.00 C ATOM 349 CG GLU A 24 -9.020 -9.350 -0.284 1.00 0.00 C ATOM 350 CD GLU A 24 -8.630 -10.462 0.693 1.00 0.00 C ATOM 351 OE1 GLU A 24 -7.993 -11.454 0.267 1.00 0.00 O ATOM 352 OE2 GLU A 24 -9.030 -10.411 1.881 1.00 0.00 O ATOM 0 H GLU A 24 -10.584 -10.424 -3.598 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.358 -8.329 -1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.744 -10.423 -0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.338 -10.574 -2.021 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.119 -8.905 -0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.543 -8.560 0.256 1.00 0.00 H new ATOM 359 N TYR A 25 -8.583 -7.783 -3.530 1.00 0.00 N ATOM 360 CA TYR A 25 -7.594 -6.783 -3.874 1.00 0.00 C ATOM 361 C TYR A 25 -8.235 -5.443 -4.258 1.00 0.00 C ATOM 362 O TYR A 25 -7.689 -4.398 -3.907 1.00 0.00 O ATOM 363 CB TYR A 25 -6.728 -7.344 -5.002 1.00 0.00 C ATOM 364 CG TYR A 25 -5.693 -6.385 -5.535 1.00 0.00 C ATOM 365 CD1 TYR A 25 -4.405 -6.334 -4.967 1.00 0.00 C ATOM 366 CD2 TYR A 25 -6.036 -5.541 -6.608 1.00 0.00 C ATOM 367 CE1 TYR A 25 -3.459 -5.430 -5.486 1.00 0.00 C ATOM 368 CE2 TYR A 25 -5.098 -4.635 -7.121 1.00 0.00 C ATOM 369 CZ TYR A 25 -3.802 -4.578 -6.562 1.00 0.00 C ATOM 370 OH TYR A 25 -2.878 -3.720 -7.071 1.00 0.00 O ATOM 0 H TYR A 25 -8.507 -8.636 -4.084 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.974 -6.569 -3.003 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.223 -8.241 -4.643 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.377 -7.651 -5.822 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.146 -6.981 -4.142 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.026 -5.592 -7.037 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -2.467 -5.387 -5.061 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -5.365 -3.983 -7.940 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.033 -3.825 -6.587 1.00 0.00 H new ATOM 380 N GLU A 26 -9.364 -5.453 -4.973 1.00 0.00 N ATOM 381 CA GLU A 26 -10.041 -4.247 -5.429 1.00 0.00 C ATOM 382 C GLU A 26 -10.876 -3.640 -4.305 1.00 0.00 C ATOM 383 O GLU A 26 -10.912 -2.419 -4.193 1.00 0.00 O ATOM 384 CB GLU A 26 -10.920 -4.581 -6.644 1.00 0.00 C ATOM 385 CG GLU A 26 -10.356 -4.043 -7.964 1.00 0.00 C ATOM 386 CD GLU A 26 -10.516 -2.517 -8.121 1.00 0.00 C ATOM 387 OE1 GLU A 26 -11.608 -2.028 -8.493 1.00 0.00 O ATOM 388 OE2 GLU A 26 -9.497 -1.793 -8.067 1.00 0.00 O ATOM 0 H GLU A 26 -9.835 -6.313 -5.252 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.295 -3.509 -5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.031 -5.663 -6.718 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.917 -4.169 -6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.298 -4.299 -8.030 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.857 -4.541 -8.794 1.00 0.00 H new ATOM 395 N GLU A 27 -11.501 -4.465 -3.460 1.00 0.00 N ATOM 396 CA GLU A 27 -12.315 -3.991 -2.337 1.00 0.00 C ATOM 397 C GLU A 27 -11.478 -3.087 -1.433 1.00 0.00 C ATOM 398 O GLU A 27 -11.897 -1.995 -1.049 1.00 0.00 O ATOM 399 CB GLU A 27 -12.886 -5.160 -1.510 1.00 0.00 C ATOM 400 CG GLU A 27 -13.718 -6.165 -2.320 1.00 0.00 C ATOM 401 CD GLU A 27 -14.372 -7.222 -1.418 1.00 0.00 C ATOM 402 OE1 GLU A 27 -13.685 -8.147 -0.949 1.00 0.00 O ATOM 403 OE2 GLU A 27 -15.594 -7.100 -1.115 1.00 0.00 O ATOM 0 H GLU A 27 -11.457 -5.481 -3.535 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.153 -3.430 -2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.060 -5.690 -1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.506 -4.754 -0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.490 -5.633 -2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.080 -6.658 -3.053 1.00 0.00 H new ATOM 410 N ILE A 28 -10.257 -3.533 -1.143 1.00 0.00 N ATOM 411 CA ILE A 28 -9.305 -2.829 -0.303 1.00 0.00 C ATOM 412 C ILE A 28 -8.914 -1.476 -0.930 1.00 0.00 C ATOM 413 O ILE A 28 -8.630 -0.519 -0.203 1.00 0.00 O ATOM 414 CB ILE A 28 -8.096 -3.764 -0.058 1.00 0.00 C ATOM 415 CG1 ILE A 28 -8.495 -5.036 0.730 1.00 0.00 C ATOM 416 CG2 ILE A 28 -6.996 -2.999 0.691 1.00 0.00 C ATOM 417 CD1 ILE A 28 -7.443 -6.155 0.676 1.00 0.00 C ATOM 0 H ILE A 28 -9.898 -4.419 -1.498 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.747 -2.582 0.662 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.723 -4.089 -1.029 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -8.672 -4.766 1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.437 -5.416 0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.146 -3.659 0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.677 -2.144 0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.383 -2.650 1.648 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.794 -7.012 1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.282 -6.454 -0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.506 -5.794 1.099 1.00 0.00 H new ATOM 429 N VAL A 29 -8.858 -1.377 -2.258 1.00 0.00 N ATOM 430 CA VAL A 29 -8.522 -0.136 -2.946 1.00 0.00 C ATOM 431 C VAL A 29 -9.712 0.821 -2.842 1.00 0.00 C ATOM 432 O VAL A 29 -9.502 1.999 -2.559 1.00 0.00 O ATOM 433 CB VAL A 29 -8.125 -0.453 -4.401 1.00 0.00 C ATOM 434 CG1 VAL A 29 -7.934 0.793 -5.278 1.00 0.00 C ATOM 435 CG2 VAL A 29 -6.790 -1.219 -4.430 1.00 0.00 C ATOM 0 H VAL A 29 -9.045 -2.158 -2.886 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.666 0.356 -2.485 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.953 -1.039 -4.800 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.656 0.489 -6.287 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.865 1.359 -5.313 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.146 1.417 -4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.519 -1.438 -5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.011 -0.610 -3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.894 -2.152 -3.876 1.00 0.00 H new ATOM 445 N GLU A 30 -10.940 0.347 -3.064 1.00 0.00 N ATOM 446 CA GLU A 30 -12.122 1.196 -3.119 1.00 0.00 C ATOM 447 C GLU A 30 -12.414 1.801 -1.741 1.00 0.00 C ATOM 448 O GLU A 30 -12.774 2.976 -1.637 1.00 0.00 O ATOM 449 CB GLU A 30 -13.314 0.379 -3.630 1.00 0.00 C ATOM 450 CG GLU A 30 -13.185 -0.057 -5.097 1.00 0.00 C ATOM 451 CD GLU A 30 -13.547 1.028 -6.112 1.00 0.00 C ATOM 452 OE1 GLU A 30 -14.758 1.275 -6.319 1.00 0.00 O ATOM 453 OE2 GLU A 30 -12.625 1.582 -6.761 1.00 0.00 O ATOM 0 H GLU A 30 -11.139 -0.643 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.943 2.021 -3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.429 -0.507 -3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.223 0.969 -3.515 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.160 -0.380 -5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.826 -0.922 -5.264 1.00 0.00 H new ATOM 460 N ASP A 31 -12.240 1.021 -0.668 1.00 0.00 N ATOM 461 CA ASP A 31 -12.510 1.452 0.714 1.00 0.00 C ATOM 462 C ASP A 31 -11.622 2.628 1.117 1.00 0.00 C ATOM 463 O ASP A 31 -12.021 3.563 1.825 1.00 0.00 O ATOM 464 CB ASP A 31 -12.256 0.291 1.692 1.00 0.00 C ATOM 465 CG ASP A 31 -12.962 0.493 3.038 1.00 0.00 C ATOM 466 OD1 ASP A 31 -12.525 1.332 3.858 1.00 0.00 O ATOM 467 OD2 ASP A 31 -13.929 -0.254 3.322 1.00 0.00 O ATOM 0 H ASP A 31 -11.904 0.060 -0.733 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.554 1.763 0.758 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.598 -0.641 1.242 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.184 0.189 1.859 1.00 0.00 H new ATOM 472 N VAL A 32 -10.389 2.590 0.623 1.00 0.00 N ATOM 473 CA VAL A 32 -9.342 3.564 0.884 1.00 0.00 C ATOM 474 C VAL A 32 -9.435 4.715 -0.125 1.00 0.00 C ATOM 475 O VAL A 32 -9.133 5.865 0.226 1.00 0.00 O ATOM 476 CB VAL A 32 -7.998 2.807 0.863 1.00 0.00 C ATOM 477 CG1 VAL A 32 -6.795 3.747 0.958 1.00 0.00 C ATOM 478 CG2 VAL A 32 -7.942 1.824 2.045 1.00 0.00 C ATOM 0 H VAL A 32 -10.081 1.843 0.001 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.446 4.035 1.861 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.943 2.281 -0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.875 3.163 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.805 4.437 0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.847 4.312 1.889 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.992 1.290 2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.033 2.375 2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.761 1.110 1.963 1.00 0.00 H new ATOM 488 N ARG A 33 -9.945 4.464 -1.339 1.00 0.00 N ATOM 489 CA ARG A 33 -10.248 5.535 -2.282 1.00 0.00 C ATOM 490 C ARG A 33 -11.274 6.482 -1.660 1.00 0.00 C ATOM 491 O ARG A 33 -11.093 7.702 -1.724 1.00 0.00 O ATOM 492 CB ARG A 33 -10.720 5.003 -3.648 1.00 0.00 C ATOM 493 CG ARG A 33 -10.869 6.172 -4.648 1.00 0.00 C ATOM 494 CD ARG A 33 -10.013 6.022 -5.904 1.00 0.00 C ATOM 495 NE ARG A 33 -10.662 5.179 -6.913 1.00 0.00 N ATOM 496 CZ ARG A 33 -10.082 4.263 -7.686 1.00 0.00 C ATOM 497 NH1 ARG A 33 -8.769 4.067 -7.681 1.00 0.00 N ATOM 498 NH2 ARG A 33 -10.842 3.527 -8.481 1.00 0.00 N ATOM 0 H ARG A 33 -10.154 3.528 -1.685 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.328 6.085 -2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.005 4.275 -4.031 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.673 4.485 -3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.916 6.256 -4.941 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.602 7.103 -4.147 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.815 7.007 -6.327 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.049 5.590 -5.636 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.666 5.308 -7.036 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.172 4.627 -7.072 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.357 3.357 -8.286 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.852 3.667 -8.494 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.417 2.820 -9.081 1.00 0.00 H new ATOM 512 N ASP A 34 -12.316 5.937 -1.033 1.00 0.00 N ATOM 513 CA ASP A 34 -13.345 6.750 -0.400 1.00 0.00 C ATOM 514 C ASP A 34 -12.757 7.646 0.679 1.00 0.00 C ATOM 515 O ASP A 34 -13.109 8.826 0.803 1.00 0.00 O ATOM 516 CB ASP A 34 -14.399 5.866 0.262 1.00 0.00 C ATOM 517 CG ASP A 34 -15.641 6.700 0.555 1.00 0.00 C ATOM 518 OD1 ASP A 34 -16.317 7.137 -0.401 1.00 0.00 O ATOM 519 OD2 ASP A 34 -16.013 6.890 1.736 1.00 0.00 O ATOM 0 H ASP A 34 -12.467 4.932 -0.952 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.792 7.358 -1.186 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.653 5.031 -0.391 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.006 5.440 1.185 1.00 0.00 H new ATOM 524 N GLU A 35 -11.882 7.057 1.496 1.00 0.00 N ATOM 525 CA GLU A 35 -11.459 7.694 2.723 1.00 0.00 C ATOM 526 C GLU A 35 -10.479 8.826 2.464 1.00 0.00 C ATOM 527 O GLU A 35 -10.595 9.903 3.044 1.00 0.00 O ATOM 528 CB GLU A 35 -10.956 6.699 3.754 1.00 0.00 C ATOM 529 CG GLU A 35 -9.496 6.288 3.669 1.00 0.00 C ATOM 530 CD GLU A 35 -8.675 7.088 4.662 1.00 0.00 C ATOM 531 OE1 GLU A 35 -8.875 6.840 5.878 1.00 0.00 O ATOM 532 OE2 GLU A 35 -7.878 7.926 4.194 1.00 0.00 O ATOM 0 H GLU A 35 -11.460 6.145 1.323 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.346 8.149 3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.131 7.121 4.744 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.565 5.798 3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.397 5.223 3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.121 6.452 2.659 1.00 0.00 H new ATOM 539 N CYS A 36 -9.510 8.605 1.579 1.00 0.00 N ATOM 540 CA CYS A 36 -8.412 9.549 1.505 1.00 0.00 C ATOM 541 C CYS A 36 -8.795 10.743 0.625 1.00 0.00 C ATOM 542 O CYS A 36 -8.220 11.829 0.736 1.00 0.00 O ATOM 543 CB CYS A 36 -7.148 8.861 1.022 1.00 0.00 C ATOM 544 SG CYS A 36 -5.756 9.748 1.752 1.00 0.00 S ATOM 0 H CYS A 36 -9.465 7.817 0.933 1.00 0.00 H new ATOM 0 HA CYS A 36 -8.205 9.934 2.503 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.139 7.814 1.324 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.090 8.880 -0.066 1.00 0.00 H new ATOM 0 HG CYS A 36 -5.118 10.395 0.822 1.00 0.00 H new ATOM 550 N SER A 37 -9.836 10.597 -0.206 1.00 0.00 N ATOM 551 CA SER A 37 -10.373 11.707 -0.972 1.00 0.00 C ATOM 552 C SER A 37 -10.987 12.759 -0.046 1.00 0.00 C ATOM 553 O SER A 37 -11.147 13.911 -0.442 1.00 0.00 O ATOM 554 CB SER A 37 -11.406 11.197 -1.974 1.00 0.00 C ATOM 555 OG SER A 37 -10.777 10.933 -3.214 1.00 0.00 O ATOM 0 H SER A 37 -10.319 9.712 -0.359 1.00 0.00 H new ATOM 0 HA SER A 37 -9.558 12.180 -1.520 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.879 10.291 -1.595 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.195 11.937 -2.106 1.00 0.00 H new ATOM 0 HG SER A 37 -11.442 10.604 -3.855 1.00 0.00 H new ATOM 561 N LYS A 38 -11.250 12.429 1.221 1.00 0.00 N ATOM 562 CA LYS A 38 -11.692 13.407 2.207 1.00 0.00 C ATOM 563 C LYS A 38 -10.617 14.477 2.449 1.00 0.00 C ATOM 564 O LYS A 38 -10.937 15.500 3.057 1.00 0.00 O ATOM 565 CB LYS A 38 -12.085 12.680 3.506 1.00 0.00 C ATOM 566 CG LYS A 38 -13.097 11.545 3.258 1.00 0.00 C ATOM 567 CD LYS A 38 -13.431 10.763 4.530 1.00 0.00 C ATOM 568 CE LYS A 38 -14.456 9.681 4.175 1.00 0.00 C ATOM 569 NZ LYS A 38 -14.786 8.828 5.330 1.00 0.00 N ATOM 0 H LYS A 38 -11.162 11.481 1.587 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.569 13.931 1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.191 12.270 3.975 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.512 13.398 4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.013 11.965 2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.694 10.861 2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.530 10.311 4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.833 11.431 5.292 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.365 10.152 3.802 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.064 9.062 3.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.482 8.111 5.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.924 8.357 5.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.185 9.414 6.091 1.00 0.00 H new ATOM 583 N TYR A 39 -9.375 14.288 1.984 1.00 0.00 N ATOM 584 CA TYR A 39 -8.218 15.130 2.279 1.00 0.00 C ATOM 585 C TYR A 39 -7.554 15.700 1.015 1.00 0.00 C ATOM 586 O TYR A 39 -6.551 16.407 1.134 1.00 0.00 O ATOM 587 CB TYR A 39 -7.204 14.317 3.101 1.00 0.00 C ATOM 588 CG TYR A 39 -7.757 13.702 4.373 1.00 0.00 C ATOM 589 CD1 TYR A 39 -8.410 12.457 4.310 1.00 0.00 C ATOM 590 CD2 TYR A 39 -7.627 14.359 5.612 1.00 0.00 C ATOM 591 CE1 TYR A 39 -8.974 11.887 5.460 1.00 0.00 C ATOM 592 CE2 TYR A 39 -8.172 13.782 6.776 1.00 0.00 C ATOM 593 CZ TYR A 39 -8.872 12.554 6.698 1.00 0.00 C ATOM 594 OH TYR A 39 -9.488 12.026 7.792 1.00 0.00 O ATOM 0 H TYR A 39 -9.144 13.510 1.366 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.568 15.989 2.852 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.806 13.520 2.473 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.368 14.965 3.362 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.477 11.936 3.367 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.109 15.305 5.670 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -9.486 10.938 5.398 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.056 14.277 7.729 1.00 0.00 H new ATOM 0 HH TYR A 39 -9.324 12.601 8.569 1.00 0.00 H new ATOM 604 N GLY A 40 -8.059 15.423 -0.190 1.00 0.00 N ATOM 605 CA GLY A 40 -7.426 15.853 -1.437 1.00 0.00 C ATOM 606 C GLY A 40 -7.873 14.983 -2.595 1.00 0.00 C ATOM 607 O GLY A 40 -8.951 14.388 -2.546 1.00 0.00 O ATOM 0 H GLY A 40 -8.920 14.893 -0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.680 16.894 -1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.342 15.803 -1.336 1.00 0.00 H new ATOM 611 N LEU A 41 -7.036 14.919 -3.628 1.00 0.00 N ATOM 612 CA LEU A 41 -7.240 14.134 -4.830 1.00 0.00 C ATOM 613 C LEU A 41 -6.094 13.144 -4.943 1.00 0.00 C ATOM 614 O LEU A 41 -4.936 13.514 -5.159 1.00 0.00 O ATOM 615 CB LEU A 41 -7.311 15.090 -6.011 1.00 0.00 C ATOM 616 CG LEU A 41 -7.726 14.534 -7.385 1.00 0.00 C ATOM 617 CD1 LEU A 41 -6.786 13.470 -7.943 1.00 0.00 C ATOM 618 CD2 LEU A 41 -9.150 13.985 -7.423 1.00 0.00 C ATOM 0 H LEU A 41 -6.159 15.439 -3.645 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.170 13.566 -4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.009 15.886 -5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.330 15.551 -6.123 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.666 15.417 -8.022 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.152 13.133 -8.913 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.787 13.891 -8.059 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.746 12.624 -7.257 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.369 13.612 -8.423 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.246 13.172 -6.703 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.853 14.779 -7.170 1.00 0.00 H new ATOM 630 N VAL A 42 -6.443 11.878 -4.770 1.00 0.00 N ATOM 631 CA VAL A 42 -5.530 10.756 -4.895 1.00 0.00 C ATOM 632 C VAL A 42 -5.410 10.424 -6.382 1.00 0.00 C ATOM 633 O VAL A 42 -6.380 10.023 -7.030 1.00 0.00 O ATOM 634 CB VAL A 42 -6.034 9.581 -4.039 1.00 0.00 C ATOM 635 CG1 VAL A 42 -5.257 8.284 -4.281 1.00 0.00 C ATOM 636 CG2 VAL A 42 -5.962 9.960 -2.551 1.00 0.00 C ATOM 0 H VAL A 42 -7.394 11.597 -4.533 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.534 10.992 -4.520 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.065 9.390 -4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.661 7.494 -3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.351 7.994 -5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.205 8.440 -4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.319 9.127 -1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.930 10.187 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.585 10.835 -2.368 1.00 0.00 H new ATOM 646 N LYS A 43 -4.211 10.619 -6.924 1.00 0.00 N ATOM 647 CA LYS A 43 -3.773 10.123 -8.220 1.00 0.00 C ATOM 648 C LYS A 43 -3.997 8.605 -8.283 1.00 0.00 C ATOM 649 O LYS A 43 -4.783 8.144 -9.115 1.00 0.00 O ATOM 650 CB LYS A 43 -2.292 10.515 -8.404 1.00 0.00 C ATOM 651 CG LYS A 43 -1.769 10.386 -9.844 1.00 0.00 C ATOM 652 CD LYS A 43 -1.315 11.722 -10.455 1.00 0.00 C ATOM 653 CE LYS A 43 -0.058 12.339 -9.825 1.00 0.00 C ATOM 654 NZ LYS A 43 1.208 11.660 -10.178 1.00 0.00 N ATOM 0 H LYS A 43 -3.485 11.153 -6.446 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.346 10.563 -9.036 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.159 11.545 -8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.681 9.890 -7.752 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.933 9.687 -9.857 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.552 9.957 -10.469 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.132 11.572 -11.519 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.133 12.438 -10.370 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.009 13.384 -10.129 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.169 12.329 -8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.974 12.017 -9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.104 10.635 -10.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.438 11.850 -11.174 1.00 0.00 H new ATOM 668 N SER A 44 -3.358 7.815 -7.412 1.00 0.00 N ATOM 669 CA SER A 44 -3.466 6.359 -7.448 1.00 0.00 C ATOM 670 C SER A 44 -3.063 5.729 -6.104 1.00 0.00 C ATOM 671 O SER A 44 -2.697 6.450 -5.175 1.00 0.00 O ATOM 672 CB SER A 44 -2.620 5.835 -8.614 1.00 0.00 C ATOM 673 OG SER A 44 -3.093 4.566 -9.000 1.00 0.00 O ATOM 0 H SER A 44 -2.756 8.168 -6.668 1.00 0.00 H new ATOM 0 HA SER A 44 -4.505 6.072 -7.609 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.672 6.526 -9.455 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.573 5.771 -8.318 1.00 0.00 H new ATOM 0 HG SER A 44 -2.555 4.229 -9.747 1.00 0.00 H new ATOM 679 N ILE A 45 -3.172 4.397 -5.992 1.00 0.00 N ATOM 680 CA ILE A 45 -2.831 3.564 -4.834 1.00 0.00 C ATOM 681 C ILE A 45 -1.992 2.404 -5.378 1.00 0.00 C ATOM 682 O ILE A 45 -2.354 1.810 -6.398 1.00 0.00 O ATOM 683 CB ILE A 45 -4.112 3.057 -4.116 1.00 0.00 C ATOM 684 CG1 ILE A 45 -4.946 4.205 -3.510 1.00 0.00 C ATOM 685 CG2 ILE A 45 -3.777 2.082 -2.974 1.00 0.00 C ATOM 686 CD1 ILE A 45 -6.444 3.884 -3.420 1.00 0.00 C ATOM 0 H ILE A 45 -3.527 3.835 -6.766 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.274 4.129 -4.087 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.690 2.554 -4.891 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.569 4.431 -2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.809 5.102 -4.114 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.699 1.750 -2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.246 1.219 -3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.149 2.585 -2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.972 4.732 -2.985 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.834 3.686 -4.418 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.591 3.005 -2.792 1.00 0.00 H new ATOM 698 N GLU A 46 -0.885 2.067 -4.710 1.00 0.00 N ATOM 699 CA GLU A 46 0.151 1.169 -5.230 1.00 0.00 C ATOM 700 C GLU A 46 0.461 -0.003 -4.283 1.00 0.00 C ATOM 701 O GLU A 46 1.069 0.162 -3.220 1.00 0.00 O ATOM 702 CB GLU A 46 1.396 1.959 -5.648 1.00 0.00 C ATOM 703 CG GLU A 46 2.323 1.180 -6.600 1.00 0.00 C ATOM 704 CD GLU A 46 1.619 0.514 -7.793 1.00 0.00 C ATOM 705 OE1 GLU A 46 0.808 1.169 -8.494 1.00 0.00 O ATOM 706 OE2 GLU A 46 1.844 -0.689 -8.052 1.00 0.00 O ATOM 0 H GLU A 46 -0.680 2.417 -3.774 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.245 0.697 -6.129 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.084 2.884 -6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.956 2.239 -4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.083 1.862 -6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.842 0.411 -6.028 1.00 0.00 H new ATOM 713 N ILE A 47 0.007 -1.198 -4.672 1.00 0.00 N ATOM 714 CA ILE A 47 -0.107 -2.412 -3.862 1.00 0.00 C ATOM 715 C ILE A 47 0.604 -3.554 -4.601 1.00 0.00 C ATOM 716 O ILE A 47 -0.007 -4.263 -5.403 1.00 0.00 O ATOM 717 CB ILE A 47 -1.589 -2.758 -3.562 1.00 0.00 C ATOM 718 CG1 ILE A 47 -2.370 -1.510 -3.107 1.00 0.00 C ATOM 719 CG2 ILE A 47 -1.650 -3.912 -2.537 1.00 0.00 C ATOM 720 CD1 ILE A 47 -3.782 -1.792 -2.606 1.00 0.00 C ATOM 0 H ILE A 47 -0.313 -1.352 -5.628 1.00 0.00 H new ATOM 0 HA ILE A 47 0.369 -2.254 -2.895 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.077 -3.099 -4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.809 -1.016 -2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.427 -0.810 -3.940 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.691 -4.156 -2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.148 -4.789 -2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.154 -3.607 -1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.256 -0.857 -2.307 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.365 -2.256 -3.402 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.737 -2.465 -1.750 1.00 0.00 H new ATOM 732 N PRO A 48 1.922 -3.724 -4.438 1.00 0.00 N ATOM 733 CA PRO A 48 2.616 -4.870 -5.000 1.00 0.00 C ATOM 734 C PRO A 48 2.107 -6.157 -4.345 1.00 0.00 C ATOM 735 O PRO A 48 1.903 -6.200 -3.131 1.00 0.00 O ATOM 736 CB PRO A 48 4.091 -4.630 -4.711 1.00 0.00 C ATOM 737 CG PRO A 48 4.094 -3.733 -3.473 1.00 0.00 C ATOM 738 CD PRO A 48 2.792 -2.951 -3.576 1.00 0.00 C ATOM 0 HA PRO A 48 2.447 -4.983 -6.071 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.617 -5.566 -4.525 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.588 -4.147 -5.553 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.134 -4.320 -2.556 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.958 -3.069 -3.464 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.342 -2.813 -2.593 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.966 -1.958 -3.989 1.00 0.00 H new ATOM 746 N ARG A 49 1.920 -7.199 -5.153 1.00 0.00 N ATOM 747 CA ARG A 49 1.519 -8.549 -4.756 1.00 0.00 C ATOM 748 C ARG A 49 2.708 -9.516 -4.863 1.00 0.00 C ATOM 749 O ARG A 49 3.667 -9.191 -5.573 1.00 0.00 O ATOM 750 CB ARG A 49 0.321 -9.059 -5.598 1.00 0.00 C ATOM 751 CG ARG A 49 0.113 -8.468 -7.006 1.00 0.00 C ATOM 752 CD ARG A 49 -0.902 -7.319 -6.968 1.00 0.00 C ATOM 753 NE ARG A 49 -2.288 -7.822 -7.041 1.00 0.00 N ATOM 754 CZ ARG A 49 -3.136 -7.744 -8.075 1.00 0.00 C ATOM 755 NH1 ARG A 49 -2.826 -7.062 -9.173 1.00 0.00 N ATOM 756 NH2 ARG A 49 -4.309 -8.356 -7.991 1.00 0.00 N ATOM 0 H ARG A 49 2.052 -7.120 -6.161 1.00 0.00 H new ATOM 0 HA ARG A 49 1.195 -8.507 -3.716 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.424 -10.139 -5.703 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.589 -8.880 -5.025 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.064 -8.107 -7.398 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.237 -9.246 -7.684 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.770 -6.745 -6.051 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.716 -6.639 -7.800 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.642 -8.284 -6.204 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.927 -6.585 -9.240 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.487 -7.016 -9.948 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.554 -8.876 -7.148 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.967 -8.307 -8.769 1.00 0.00 H new ATOM 770 N PRO A 50 2.658 -10.698 -4.221 1.00 0.00 N ATOM 771 CA PRO A 50 3.562 -11.817 -4.477 1.00 0.00 C ATOM 772 C PRO A 50 3.529 -12.256 -5.942 1.00 0.00 C ATOM 773 O PRO A 50 2.687 -11.857 -6.755 1.00 0.00 O ATOM 774 CB PRO A 50 3.100 -12.944 -3.538 1.00 0.00 C ATOM 775 CG PRO A 50 1.627 -12.626 -3.321 1.00 0.00 C ATOM 776 CD PRO A 50 1.650 -11.110 -3.260 1.00 0.00 C ATOM 0 HA PRO A 50 4.598 -11.537 -4.288 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.239 -13.927 -3.988 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.656 -12.942 -2.600 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.004 -12.994 -4.136 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.243 -13.068 -2.401 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.675 -10.692 -3.511 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.898 -10.761 -2.257 1.00 0.00 H new ATOM 784 N VAL A 51 4.483 -13.119 -6.265 1.00 0.00 N ATOM 785 CA VAL A 51 4.660 -13.736 -7.566 1.00 0.00 C ATOM 786 C VAL A 51 4.877 -15.211 -7.282 1.00 0.00 C ATOM 787 O VAL A 51 5.902 -15.550 -6.713 1.00 0.00 O ATOM 788 CB VAL A 51 5.852 -13.096 -8.312 1.00 0.00 C ATOM 789 CG1 VAL A 51 5.905 -13.655 -9.735 1.00 0.00 C ATOM 790 CG2 VAL A 51 5.776 -11.558 -8.379 1.00 0.00 C ATOM 0 H VAL A 51 5.187 -13.420 -5.591 1.00 0.00 H new ATOM 0 HA VAL A 51 3.799 -13.592 -8.219 1.00 0.00 H new ATOM 0 HB VAL A 51 6.752 -13.346 -7.750 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.743 -13.209 -10.270 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.033 -14.737 -9.696 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.976 -13.418 -10.254 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.643 -11.174 -8.916 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.866 -11.261 -8.900 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.765 -11.150 -7.368 1.00 0.00 H new ATOM 800 N ASP A 52 3.901 -16.071 -7.563 1.00 0.00 N ATOM 801 CA ASP A 52 3.982 -17.519 -7.331 1.00 0.00 C ATOM 802 C ASP A 52 4.394 -17.856 -5.883 1.00 0.00 C ATOM 803 O ASP A 52 5.101 -18.828 -5.620 1.00 0.00 O ATOM 804 CB ASP A 52 4.889 -18.137 -8.411 1.00 0.00 C ATOM 805 CG ASP A 52 4.619 -19.618 -8.682 1.00 0.00 C ATOM 806 OD1 ASP A 52 3.485 -20.104 -8.460 1.00 0.00 O ATOM 807 OD2 ASP A 52 5.472 -20.263 -9.341 1.00 0.00 O ATOM 0 H ASP A 52 3.011 -15.779 -7.967 1.00 0.00 H new ATOM 0 HA ASP A 52 2.995 -17.970 -7.429 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.762 -17.580 -9.339 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.929 -18.018 -8.108 1.00 0.00 H new ATOM 812 N GLY A 53 3.969 -17.006 -4.940 1.00 0.00 N ATOM 813 CA GLY A 53 4.210 -17.096 -3.505 1.00 0.00 C ATOM 814 C GLY A 53 5.583 -16.621 -3.036 1.00 0.00 C ATOM 815 O GLY A 53 5.900 -16.750 -1.851 1.00 0.00 O ATOM 0 H GLY A 53 3.412 -16.186 -5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.448 -16.512 -2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.079 -18.133 -3.197 1.00 0.00 H new ATOM 819 N VAL A 54 6.392 -16.042 -3.925 1.00 0.00 N ATOM 820 CA VAL A 54 7.672 -15.450 -3.563 1.00 0.00 C ATOM 821 C VAL A 54 7.500 -14.349 -2.509 1.00 0.00 C ATOM 822 O VAL A 54 6.467 -13.673 -2.438 1.00 0.00 O ATOM 823 CB VAL A 54 8.392 -14.948 -4.830 1.00 0.00 C ATOM 824 CG1 VAL A 54 7.941 -13.544 -5.215 1.00 0.00 C ATOM 825 CG2 VAL A 54 9.917 -14.998 -4.711 1.00 0.00 C ATOM 0 H VAL A 54 6.173 -15.973 -4.919 1.00 0.00 H new ATOM 0 HA VAL A 54 8.300 -16.213 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 54 8.106 -15.638 -5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.471 -13.225 -6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.868 -13.547 -5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.161 -12.855 -4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 54 10.366 -14.632 -5.634 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.238 -14.372 -3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 54 10.235 -16.026 -4.535 1.00 0.00 H new ATOM 835 N GLU A 55 8.581 -14.080 -1.786 1.00 0.00 N ATOM 836 CA GLU A 55 8.816 -12.811 -1.117 1.00 0.00 C ATOM 837 C GLU A 55 9.412 -11.843 -2.151 1.00 0.00 C ATOM 838 O GLU A 55 10.503 -12.051 -2.690 1.00 0.00 O ATOM 839 CB GLU A 55 9.655 -12.988 0.160 1.00 0.00 C ATOM 840 CG GLU A 55 11.116 -13.251 -0.170 1.00 0.00 C ATOM 841 CD GLU A 55 11.893 -14.068 0.854 1.00 0.00 C ATOM 842 OE1 GLU A 55 11.470 -15.194 1.182 1.00 0.00 O ATOM 843 OE2 GLU A 55 13.037 -13.654 1.170 1.00 0.00 O ATOM 0 H GLU A 55 9.333 -14.754 -1.647 1.00 0.00 H new ATOM 0 HA GLU A 55 7.885 -12.379 -0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.575 -12.093 0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.258 -13.816 0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.165 -13.766 -1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.618 -12.292 -0.297 1.00 0.00 H new ATOM 850 N VAL A 56 8.657 -10.810 -2.495 1.00 0.00 N ATOM 851 CA VAL A 56 9.133 -9.649 -3.247 1.00 0.00 C ATOM 852 C VAL A 56 9.534 -8.522 -2.278 1.00 0.00 C ATOM 853 O VAL A 56 8.853 -8.321 -1.264 1.00 0.00 O ATOM 854 CB VAL A 56 8.064 -9.146 -4.241 1.00 0.00 C ATOM 855 CG1 VAL A 56 8.343 -9.638 -5.662 1.00 0.00 C ATOM 856 CG2 VAL A 56 6.613 -9.495 -3.905 1.00 0.00 C ATOM 0 H VAL A 56 7.668 -10.751 -2.254 1.00 0.00 H new ATOM 0 HA VAL A 56 10.006 -9.954 -3.823 1.00 0.00 H new ATOM 0 HB VAL A 56 8.155 -8.063 -4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.571 -9.265 -6.334 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.316 -9.273 -5.989 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.341 -10.728 -5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.954 -9.090 -4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.499 -10.578 -3.864 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.350 -9.066 -2.938 1.00 0.00 H new ATOM 866 N PRO A 57 10.566 -7.719 -2.593 1.00 0.00 N ATOM 867 CA PRO A 57 10.960 -6.581 -1.779 1.00 0.00 C ATOM 868 C PRO A 57 9.843 -5.543 -1.821 1.00 0.00 C ATOM 869 O PRO A 57 9.288 -5.254 -2.886 1.00 0.00 O ATOM 870 CB PRO A 57 12.251 -6.050 -2.406 1.00 0.00 C ATOM 871 CG PRO A 57 12.101 -6.425 -3.876 1.00 0.00 C ATOM 872 CD PRO A 57 11.357 -7.760 -3.811 1.00 0.00 C ATOM 0 HA PRO A 57 11.127 -6.838 -0.733 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.350 -4.973 -2.273 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.134 -6.509 -1.961 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.537 -5.674 -4.429 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.068 -6.525 -4.369 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.720 -7.895 -4.685 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.056 -8.596 -3.794 1.00 0.00 H new ATOM 880 N GLY A 58 9.465 -5.010 -0.664 1.00 0.00 N ATOM 881 CA GLY A 58 8.418 -4.002 -0.587 1.00 0.00 C ATOM 882 C GLY A 58 7.053 -4.628 -0.345 1.00 0.00 C ATOM 883 O GLY A 58 6.056 -3.910 -0.285 1.00 0.00 O ATOM 0 H GLY A 58 9.872 -5.262 0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.645 -3.302 0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.396 -3.428 -1.513 1.00 0.00 H new ATOM 887 N CYS A 59 6.948 -5.951 -0.226 1.00 0.00 N ATOM 888 CA CYS A 59 5.651 -6.534 0.041 1.00 0.00 C ATOM 889 C CYS A 59 5.226 -6.232 1.481 1.00 0.00 C ATOM 890 O CYS A 59 6.054 -5.968 2.361 1.00 0.00 O ATOM 891 CB CYS A 59 5.687 -8.025 -0.275 1.00 0.00 C ATOM 892 SG CYS A 59 4.043 -8.544 -0.864 1.00 0.00 S ATOM 0 H CYS A 59 7.720 -6.612 -0.308 1.00 0.00 H new ATOM 0 HA CYS A 59 4.894 -6.089 -0.605 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.442 -8.231 -1.034 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.965 -8.592 0.613 1.00 0.00 H new ATOM 0 HG CYS A 59 4.062 -9.814 -1.139 1.00 0.00 H new ATOM 898 N GLY A 60 3.918 -6.236 1.710 1.00 0.00 N ATOM 899 CA GLY A 60 3.314 -5.858 2.973 1.00 0.00 C ATOM 900 C GLY A 60 3.214 -4.343 3.164 1.00 0.00 C ATOM 901 O GLY A 60 2.683 -3.898 4.182 1.00 0.00 O ATOM 0 H GLY A 60 3.236 -6.509 1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.316 -6.292 3.035 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.898 -6.283 3.789 1.00 0.00 H new ATOM 905 N LYS A 61 3.682 -3.513 2.224 1.00 0.00 N ATOM 906 CA LYS A 61 3.405 -2.076 2.233 1.00 0.00 C ATOM 907 C LYS A 61 2.391 -1.750 1.138 1.00 0.00 C ATOM 908 O LYS A 61 2.044 -2.606 0.320 1.00 0.00 O ATOM 909 CB LYS A 61 4.685 -1.249 2.073 1.00 0.00 C ATOM 910 CG LYS A 61 5.813 -1.623 3.041 1.00 0.00 C ATOM 911 CD LYS A 61 6.865 -2.462 2.306 1.00 0.00 C ATOM 912 CE LYS A 61 8.257 -2.452 2.930 1.00 0.00 C ATOM 913 NZ LYS A 61 8.875 -1.112 3.026 1.00 0.00 N ATOM 0 H LYS A 61 4.260 -3.819 1.441 1.00 0.00 H new ATOM 0 HA LYS A 61 2.983 -1.808 3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.049 -1.361 1.052 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.441 -0.196 2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.271 -0.721 3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.411 -2.184 3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.514 -3.493 2.256 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.942 -2.102 1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.197 -2.883 3.929 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.910 -3.098 2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.882 -1.211 3.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.783 -0.621 2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.395 -0.560 3.766 1.00 0.00 H new ATOM 927 N ILE A 62 1.911 -0.512 1.162 1.00 0.00 N ATOM 928 CA ILE A 62 1.151 0.162 0.124 1.00 0.00 C ATOM 929 C ILE A 62 1.791 1.555 0.023 1.00 0.00 C ATOM 930 O ILE A 62 2.377 2.046 0.997 1.00 0.00 O ATOM 931 CB ILE A 62 -0.354 0.179 0.514 1.00 0.00 C ATOM 932 CG1 ILE A 62 -0.910 -1.260 0.450 1.00 0.00 C ATOM 933 CG2 ILE A 62 -1.171 1.147 -0.359 1.00 0.00 C ATOM 934 CD1 ILE A 62 -2.418 -1.391 0.682 1.00 0.00 C ATOM 0 H ILE A 62 2.056 0.090 1.972 1.00 0.00 H new ATOM 0 HA ILE A 62 1.181 -0.328 -0.849 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.445 0.551 1.534 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.672 -1.681 -0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.391 -1.866 1.193 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.216 1.124 -0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.781 2.158 -0.244 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.096 0.846 -1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.706 -2.440 0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.669 -1.007 1.671 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.954 -0.819 -0.076 1.00 0.00 H new ATOM 946 N PHE A 63 1.690 2.207 -1.130 1.00 0.00 N ATOM 947 CA PHE A 63 1.819 3.657 -1.244 1.00 0.00 C ATOM 948 C PHE A 63 0.517 4.219 -1.792 1.00 0.00 C ATOM 949 O PHE A 63 -0.311 3.490 -2.342 1.00 0.00 O ATOM 950 CB PHE A 63 2.994 4.034 -2.146 1.00 0.00 C ATOM 951 CG PHE A 63 4.242 3.246 -1.865 1.00 0.00 C ATOM 952 CD1 PHE A 63 5.131 3.605 -0.836 1.00 0.00 C ATOM 953 CD2 PHE A 63 4.444 2.068 -2.594 1.00 0.00 C ATOM 954 CE1 PHE A 63 6.223 2.769 -0.539 1.00 0.00 C ATOM 955 CE2 PHE A 63 5.524 1.242 -2.292 1.00 0.00 C ATOM 956 CZ PHE A 63 6.430 1.600 -1.285 1.00 0.00 C ATOM 0 H PHE A 63 1.515 1.741 -2.020 1.00 0.00 H new ATOM 0 HA PHE A 63 2.018 4.082 -0.260 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.706 3.884 -3.186 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.209 5.096 -2.025 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.976 4.516 -0.278 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.764 1.800 -3.389 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.900 3.027 0.262 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.664 0.320 -2.837 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.288 0.976 -1.083 1.00 0.00 H new ATOM 966 N VAL A 64 0.351 5.524 -1.698 1.00 0.00 N ATOM 967 CA VAL A 64 -0.719 6.274 -2.322 1.00 0.00 C ATOM 968 C VAL A 64 -0.065 7.547 -2.846 1.00 0.00 C ATOM 969 O VAL A 64 0.972 7.967 -2.318 1.00 0.00 O ATOM 970 CB VAL A 64 -1.850 6.454 -1.283 1.00 0.00 C ATOM 971 CG1 VAL A 64 -1.467 7.352 -0.104 1.00 0.00 C ATOM 972 CG2 VAL A 64 -3.155 7.001 -1.847 1.00 0.00 C ATOM 0 H VAL A 64 0.986 6.115 -1.161 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.206 5.790 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.004 5.429 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.310 7.431 0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.613 6.922 0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.205 8.344 -0.472 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.888 7.093 -1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.977 7.981 -2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.535 6.321 -2.610 1.00 0.00 H new ATOM 982 N GLU A 65 -0.612 8.145 -3.892 1.00 0.00 N ATOM 983 CA GLU A 65 -0.056 9.341 -4.495 1.00 0.00 C ATOM 984 C GLU A 65 -1.186 10.331 -4.681 1.00 0.00 C ATOM 985 O GLU A 65 -2.289 9.959 -5.087 1.00 0.00 O ATOM 986 CB GLU A 65 0.669 8.975 -5.795 1.00 0.00 C ATOM 987 CG GLU A 65 1.034 10.202 -6.619 1.00 0.00 C ATOM 988 CD GLU A 65 1.926 9.894 -7.805 1.00 0.00 C ATOM 989 OE1 GLU A 65 1.433 9.248 -8.755 1.00 0.00 O ATOM 990 OE2 GLU A 65 2.955 10.590 -7.942 1.00 0.00 O ATOM 0 H GLU A 65 -1.461 7.810 -4.348 1.00 0.00 H new ATOM 0 HA GLU A 65 0.696 9.810 -3.860 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.575 8.417 -5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.035 8.317 -6.389 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.119 10.674 -6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.536 10.925 -5.976 1.00 0.00 H new ATOM 997 N PHE A 66 -0.899 11.596 -4.400 1.00 0.00 N ATOM 998 CA PHE A 66 -1.800 12.712 -4.602 1.00 0.00 C ATOM 999 C PHE A 66 -1.334 13.487 -5.821 1.00 0.00 C ATOM 1000 O PHE A 66 -0.201 13.352 -6.289 1.00 0.00 O ATOM 1001 CB PHE A 66 -1.830 13.603 -3.353 1.00 0.00 C ATOM 1002 CG PHE A 66 -2.262 12.859 -2.105 1.00 0.00 C ATOM 1003 CD1 PHE A 66 -1.319 12.093 -1.394 1.00 0.00 C ATOM 1004 CD2 PHE A 66 -3.605 12.888 -1.679 1.00 0.00 C ATOM 1005 CE1 PHE A 66 -1.710 11.360 -0.267 1.00 0.00 C ATOM 1006 CE2 PHE A 66 -3.995 12.154 -0.544 1.00 0.00 C ATOM 1007 CZ PHE A 66 -3.047 11.381 0.149 1.00 0.00 C ATOM 0 H PHE A 66 0.001 11.878 -4.011 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.816 12.354 -4.770 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.839 14.027 -3.192 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.509 14.438 -3.525 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.289 12.071 -1.719 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.333 13.472 -2.222 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.982 10.780 0.280 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.020 12.184 -0.206 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.352 10.800 1.007 1.00 0.00 H new ATOM 1017 N THR A 67 -2.220 14.332 -6.327 1.00 0.00 N ATOM 1018 CA THR A 67 -1.940 15.168 -7.478 1.00 0.00 C ATOM 1019 C THR A 67 -1.276 16.502 -7.071 1.00 0.00 C ATOM 1020 O THR A 67 -1.037 17.335 -7.945 1.00 0.00 O ATOM 1021 CB THR A 67 -3.262 15.295 -8.245 1.00 0.00 C ATOM 1022 OG1 THR A 67 -3.080 15.690 -9.577 1.00 0.00 O ATOM 1023 CG2 THR A 67 -4.251 16.211 -7.531 1.00 0.00 C ATOM 0 H THR A 67 -3.158 14.455 -5.946 1.00 0.00 H new ATOM 0 HA THR A 67 -1.196 14.728 -8.141 1.00 0.00 H new ATOM 0 HB THR A 67 -3.692 14.294 -8.267 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.394 16.388 -9.620 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.173 16.272 -8.109 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.469 15.810 -6.541 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.818 17.207 -7.432 1.00 0.00 H new ATOM 1031 N SER A 68 -1.015 16.745 -5.772 1.00 0.00 N ATOM 1032 CA SER A 68 -0.267 17.902 -5.288 1.00 0.00 C ATOM 1033 C SER A 68 0.378 17.575 -3.931 1.00 0.00 C ATOM 1034 O SER A 68 -0.224 16.854 -3.128 1.00 0.00 O ATOM 1035 CB SER A 68 -1.211 19.110 -5.188 1.00 0.00 C ATOM 1036 OG SER A 68 -2.373 18.839 -4.419 1.00 0.00 O ATOM 0 H SER A 68 -1.327 16.127 -5.023 1.00 0.00 H new ATOM 0 HA SER A 68 0.533 18.150 -5.985 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.675 19.948 -4.744 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.508 19.417 -6.191 1.00 0.00 H new ATOM 0 HG SER A 68 -2.937 19.639 -4.386 1.00 0.00 H new ATOM 1042 N VAL A 69 1.547 18.157 -3.624 1.00 0.00 N ATOM 1043 CA VAL A 69 2.213 17.985 -2.323 1.00 0.00 C ATOM 1044 C VAL A 69 1.297 18.494 -1.206 1.00 0.00 C ATOM 1045 O VAL A 69 1.321 17.985 -0.087 1.00 0.00 O ATOM 1046 CB VAL A 69 3.548 18.771 -2.215 1.00 0.00 C ATOM 1047 CG1 VAL A 69 4.484 18.116 -1.192 1.00 0.00 C ATOM 1048 CG2 VAL A 69 4.358 18.984 -3.492 1.00 0.00 C ATOM 0 H VAL A 69 2.057 18.760 -4.270 1.00 0.00 H new ATOM 0 HA VAL A 69 2.426 16.920 -2.228 1.00 0.00 H new ATOM 0 HB VAL A 69 3.198 19.760 -1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.413 18.683 -1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.003 18.105 -0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.702 17.094 -1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.262 19.547 -3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.632 18.017 -3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.760 19.540 -4.214 1.00 0.00 H new ATOM 1058 N PHE A 70 0.536 19.552 -1.496 1.00 0.00 N ATOM 1059 CA PHE A 70 -0.236 20.260 -0.492 1.00 0.00 C ATOM 1060 C PHE A 70 -1.501 19.498 -0.113 1.00 0.00 C ATOM 1061 O PHE A 70 -1.969 19.711 1.000 1.00 0.00 O ATOM 1062 CB PHE A 70 -0.553 21.677 -0.980 1.00 0.00 C ATOM 1063 CG PHE A 70 0.512 22.702 -0.645 1.00 0.00 C ATOM 1064 CD1 PHE A 70 0.522 23.316 0.624 1.00 0.00 C ATOM 1065 CD2 PHE A 70 1.477 23.074 -1.601 1.00 0.00 C ATOM 1066 CE1 PHE A 70 1.462 24.318 0.921 1.00 0.00 C ATOM 1067 CE2 PHE A 70 2.404 24.091 -1.309 1.00 0.00 C ATOM 1068 CZ PHE A 70 2.389 24.723 -0.054 1.00 0.00 C ATOM 0 H PHE A 70 0.443 19.936 -2.436 1.00 0.00 H new ATOM 0 HA PHE A 70 0.364 20.335 0.415 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.692 21.654 -2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.499 21.997 -0.543 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.196 23.015 1.372 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.505 22.578 -2.560 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.472 24.777 1.899 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.130 24.387 -2.052 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.088 25.518 0.160 1.00 0.00 H new ATOM 1078 N ASP A 71 -2.032 18.617 -0.970 1.00 0.00 N ATOM 1079 CA ASP A 71 -3.064 17.643 -0.583 1.00 0.00 C ATOM 1080 C ASP A 71 -2.416 16.606 0.329 1.00 0.00 C ATOM 1081 O ASP A 71 -2.912 16.320 1.421 1.00 0.00 O ATOM 1082 CB ASP A 71 -3.657 16.901 -1.801 1.00 0.00 C ATOM 1083 CG ASP A 71 -4.680 17.664 -2.641 1.00 0.00 C ATOM 1084 OD1 ASP A 71 -5.044 18.811 -2.307 1.00 0.00 O ATOM 1085 OD2 ASP A 71 -5.087 17.117 -3.695 1.00 0.00 O ATOM 0 H ASP A 71 -1.759 18.558 -1.951 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.871 18.184 -0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.835 16.606 -2.453 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.126 15.984 -1.445 1.00 0.00 H new ATOM 1090 N CYS A 72 -1.276 16.071 -0.122 1.00 0.00 N ATOM 1091 CA CYS A 72 -0.589 14.955 0.511 1.00 0.00 C ATOM 1092 C CYS A 72 -0.269 15.296 1.962 1.00 0.00 C ATOM 1093 O CYS A 72 -0.532 14.505 2.863 1.00 0.00 O ATOM 1094 CB CYS A 72 0.684 14.611 -0.281 1.00 0.00 C ATOM 1095 SG CYS A 72 1.471 13.111 0.367 1.00 0.00 S ATOM 0 H CYS A 72 -0.800 16.414 -0.956 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.236 14.078 0.509 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.435 14.469 -1.333 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.385 15.444 -0.229 1.00 0.00 H new ATOM 0 HG CYS A 72 0.690 12.091 0.169 1.00 0.00 H new ATOM 1101 N GLN A 73 0.277 16.488 2.196 1.00 0.00 N ATOM 1102 CA GLN A 73 0.632 16.981 3.513 1.00 0.00 C ATOM 1103 C GLN A 73 -0.549 17.020 4.484 1.00 0.00 C ATOM 1104 O GLN A 73 -0.323 16.956 5.693 1.00 0.00 O ATOM 1105 CB GLN A 73 1.211 18.396 3.344 1.00 0.00 C ATOM 1106 CG GLN A 73 2.715 18.375 3.075 1.00 0.00 C ATOM 1107 CD GLN A 73 3.215 19.737 2.626 1.00 0.00 C ATOM 1108 OE1 GLN A 73 3.580 20.580 3.439 1.00 0.00 O ATOM 1109 NE2 GLN A 73 3.225 19.987 1.331 1.00 0.00 N ATOM 0 H GLN A 73 0.488 17.151 1.450 1.00 0.00 H new ATOM 0 HA GLN A 73 1.358 16.294 3.947 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.703 18.899 2.521 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.013 18.978 4.244 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.244 18.071 3.978 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.939 17.632 2.309 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.918 19.272 0.671 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.540 20.895 0.989 1.00 0.00 H new ATOM 1118 N LYS A 74 -1.792 17.160 4.008 1.00 0.00 N ATOM 1119 CA LYS A 74 -2.959 17.172 4.878 1.00 0.00 C ATOM 1120 C LYS A 74 -3.283 15.733 5.237 1.00 0.00 C ATOM 1121 O LYS A 74 -3.356 15.393 6.415 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.159 17.857 4.203 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.795 19.111 3.395 1.00 0.00 C ATOM 1124 CD LYS A 74 -4.799 20.255 3.580 1.00 0.00 C ATOM 1125 CE LYS A 74 -4.657 21.336 2.501 1.00 0.00 C ATOM 1126 NZ LYS A 74 -3.272 21.827 2.335 1.00 0.00 N ATOM 0 H LYS A 74 -2.009 17.267 3.017 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.743 17.747 5.779 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.647 17.141 3.541 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.885 18.130 4.969 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.804 19.453 3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.739 18.852 2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.812 19.853 3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.656 20.705 4.563 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.009 20.937 1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.304 22.176 2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.279 22.704 1.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.856 22.016 3.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.705 21.107 1.843 1.00 0.00 H new ATOM 1140 N ALA A 75 -3.449 14.889 4.217 1.00 0.00 N ATOM 1141 CA ALA A 75 -3.804 13.488 4.364 1.00 0.00 C ATOM 1142 C ALA A 75 -2.813 12.769 5.280 1.00 0.00 C ATOM 1143 O ALA A 75 -3.223 12.116 6.235 1.00 0.00 O ATOM 1144 CB ALA A 75 -3.821 12.844 2.976 1.00 0.00 C ATOM 0 H ALA A 75 -3.336 15.174 3.244 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.790 13.406 4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.086 11.791 3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.555 13.350 2.349 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.834 12.932 2.522 1.00 0.00 H new ATOM 1150 N MET A 76 -1.512 12.905 5.005 1.00 0.00 N ATOM 1151 CA MET A 76 -0.457 12.130 5.650 1.00 0.00 C ATOM 1152 C MET A 76 -0.440 12.317 7.165 1.00 0.00 C ATOM 1153 O MET A 76 -0.140 11.372 7.896 1.00 0.00 O ATOM 1154 CB MET A 76 0.900 12.461 5.002 1.00 0.00 C ATOM 1155 CG MET A 76 1.713 13.626 5.563 1.00 0.00 C ATOM 1156 SD MET A 76 2.702 13.295 7.060 1.00 0.00 S ATOM 1157 CE MET A 76 3.801 11.961 6.504 1.00 0.00 C ATOM 0 H MET A 76 -1.160 13.569 4.315 1.00 0.00 H new ATOM 0 HA MET A 76 -0.664 11.071 5.492 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.521 11.567 5.058 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.722 12.660 3.945 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.387 13.977 4.782 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.027 14.444 5.783 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.668 11.905 7.163 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.264 11.013 6.530 1.00 0.00 H new ATOM 0 HE3 MET A 76 4.132 12.163 5.485 1.00 0.00 H new ATOM 1167 N GLN A 77 -0.774 13.531 7.614 1.00 0.00 N ATOM 1168 CA GLN A 77 -0.864 13.896 9.017 1.00 0.00 C ATOM 1169 C GLN A 77 -2.260 13.601 9.559 1.00 0.00 C ATOM 1170 O GLN A 77 -2.383 13.260 10.733 1.00 0.00 O ATOM 1171 CB GLN A 77 -0.568 15.395 9.197 1.00 0.00 C ATOM 1172 CG GLN A 77 0.843 15.791 8.733 1.00 0.00 C ATOM 1173 CD GLN A 77 1.108 17.293 8.773 1.00 0.00 C ATOM 1174 OE1 GLN A 77 0.282 18.102 9.182 1.00 0.00 O ATOM 1175 NE2 GLN A 77 2.255 17.721 8.276 1.00 0.00 N ATOM 0 H GLN A 77 -0.994 14.304 6.986 1.00 0.00 H new ATOM 0 HA GLN A 77 -0.130 13.307 9.566 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.303 15.974 8.639 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.686 15.659 10.248 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.577 15.286 9.361 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.994 15.432 7.715 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.945 17.051 7.935 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.451 18.721 8.234 1.00 0.00 H new ATOM 1184 N GLY A 78 -3.308 13.759 8.745 1.00 0.00 N ATOM 1185 CA GLY A 78 -4.702 13.545 9.120 1.00 0.00 C ATOM 1186 C GLY A 78 -4.992 12.089 9.441 1.00 0.00 C ATOM 1187 O GLY A 78 -5.847 11.788 10.281 1.00 0.00 O ATOM 0 H GLY A 78 -3.201 14.050 7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.942 14.161 9.986 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.350 13.872 8.307 1.00 0.00 H new ATOM 1191 N LEU A 79 -4.258 11.183 8.801 1.00 0.00 N ATOM 1192 CA LEU A 79 -4.537 9.757 8.782 1.00 0.00 C ATOM 1193 C LEU A 79 -3.454 8.959 9.521 1.00 0.00 C ATOM 1194 O LEU A 79 -3.498 7.728 9.556 1.00 0.00 O ATOM 1195 CB LEU A 79 -4.727 9.329 7.320 1.00 0.00 C ATOM 1196 CG LEU A 79 -5.976 9.957 6.656 1.00 0.00 C ATOM 1197 CD1 LEU A 79 -5.868 9.873 5.138 1.00 0.00 C ATOM 1198 CD2 LEU A 79 -7.262 9.262 7.109 1.00 0.00 C ATOM 0 H LEU A 79 -3.427 11.433 8.265 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.456 9.540 9.326 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.841 9.608 6.749 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.807 8.243 7.274 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.019 11.001 6.965 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.754 10.319 4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.981 10.412 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.793 8.828 4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.119 9.729 6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.221 8.207 6.837 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.364 9.354 8.190 1.00 0.00 H new ATOM 1210 N THR A 80 -2.518 9.640 10.187 1.00 0.00 N ATOM 1211 CA THR A 80 -1.656 9.039 11.194 1.00 0.00 C ATOM 1212 C THR A 80 -2.516 8.233 12.178 1.00 0.00 C ATOM 1213 O THR A 80 -3.544 8.713 12.665 1.00 0.00 O ATOM 1214 CB THR A 80 -0.886 10.175 11.895 1.00 0.00 C ATOM 1215 OG1 THR A 80 0.013 10.773 10.981 1.00 0.00 O ATOM 1216 CG2 THR A 80 -0.119 9.752 13.151 1.00 0.00 C ATOM 0 H THR A 80 -2.340 10.633 10.037 1.00 0.00 H new ATOM 0 HA THR A 80 -0.937 8.351 10.749 1.00 0.00 H new ATOM 0 HB THR A 80 -1.646 10.880 12.230 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.501 11.496 11.428 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.391 10.617 13.575 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.817 9.347 13.884 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.615 8.990 12.890 1.00 0.00 H new ATOM 1224 N GLY A 81 -2.110 6.992 12.455 1.00 0.00 N ATOM 1225 CA GLY A 81 -2.733 6.140 13.457 1.00 0.00 C ATOM 1226 C GLY A 81 -3.999 5.444 12.962 1.00 0.00 C ATOM 1227 O GLY A 81 -4.573 4.648 13.712 1.00 0.00 O ATOM 0 H GLY A 81 -1.325 6.548 11.978 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.015 5.385 13.778 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.977 6.741 14.333 1.00 0.00 H new ATOM 1231 N ARG A 82 -4.447 5.702 11.723 1.00 0.00 N ATOM 1232 CA ARG A 82 -5.660 5.114 11.180 1.00 0.00 C ATOM 1233 C ARG A 82 -5.562 3.606 11.074 1.00 0.00 C ATOM 1234 O ARG A 82 -4.531 3.000 11.363 1.00 0.00 O ATOM 1235 CB ARG A 82 -5.959 5.730 9.806 1.00 0.00 C ATOM 1236 CG ARG A 82 -6.621 7.105 9.891 1.00 0.00 C ATOM 1237 CD ARG A 82 -8.135 7.049 10.145 1.00 0.00 C ATOM 1238 NE ARG A 82 -8.448 6.836 11.567 1.00 0.00 N ATOM 1239 CZ ARG A 82 -9.611 6.422 12.075 1.00 0.00 C ATOM 1240 NH1 ARG A 82 -10.566 5.917 11.308 1.00 0.00 N ATOM 1241 NH2 ARG A 82 -9.795 6.510 13.383 1.00 0.00 N ATOM 0 H ARG A 82 -3.969 6.328 11.075 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.478 5.334 11.866 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.029 5.816 9.244 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -6.608 5.056 9.247 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.149 7.677 10.690 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.438 7.644 8.962 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.594 7.979 9.808 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.572 6.245 9.553 1.00 0.00 H new ATOM 0 HE ARG A 82 -7.699 7.024 12.233 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.422 5.836 10.301 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.445 5.609 11.724 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.057 6.887 13.978 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.675 6.201 13.796 1.00 0.00 H new ATOM 1255 N LYS A 83 -6.661 2.995 10.649 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.813 1.563 10.596 1.00 0.00 C ATOM 1257 C LYS A 83 -7.373 1.259 9.215 1.00 0.00 C ATOM 1258 O LYS A 83 -8.579 1.134 9.056 1.00 0.00 O ATOM 1259 CB LYS A 83 -7.711 1.107 11.766 1.00 0.00 C ATOM 1260 CG LYS A 83 -7.275 1.667 13.139 1.00 0.00 C ATOM 1261 CD LYS A 83 -7.953 0.959 14.318 1.00 0.00 C ATOM 1262 CE LYS A 83 -7.385 -0.454 14.505 1.00 0.00 C ATOM 1263 NZ LYS A 83 -8.284 -1.379 15.236 1.00 0.00 N ATOM 0 H LYS A 83 -7.485 3.502 10.326 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.881 1.013 10.721 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.737 1.416 11.567 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.709 0.018 11.811 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.194 1.571 13.238 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.505 2.732 13.181 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.806 1.538 15.229 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.028 0.904 14.145 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.165 -0.878 13.525 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.439 -0.385 15.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.122 -2.352 14.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.088 -1.320 16.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -9.274 -1.114 15.058 1.00 0.00 H new ATOM 1277 N PHE A 84 -6.516 1.170 8.190 1.00 0.00 N ATOM 1278 CA PHE A 84 -6.969 0.990 6.789 1.00 0.00 C ATOM 1279 C PHE A 84 -7.370 -0.481 6.507 1.00 0.00 C ATOM 1280 O PHE A 84 -7.509 -0.896 5.357 1.00 0.00 O ATOM 1281 CB PHE A 84 -5.882 1.484 5.803 1.00 0.00 C ATOM 1282 CG PHE A 84 -5.801 2.965 5.444 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -6.241 3.972 6.325 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -5.265 3.340 4.192 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -6.155 5.323 5.943 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -5.156 4.694 3.821 1.00 0.00 C ATOM 1287 CZ PHE A 84 -5.621 5.681 4.697 1.00 0.00 C ATOM 0 H PHE A 84 -5.503 1.219 8.296 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.862 1.596 6.639 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.915 1.196 6.214 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.011 0.930 4.873 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.644 3.707 7.292 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.933 2.574 3.507 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.504 6.092 6.616 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.719 4.967 2.872 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.568 6.722 4.413 1.00 0.00 H new ATOM 1297 N ALA A 85 -7.542 -1.262 7.572 1.00 0.00 N ATOM 1298 CA ALA A 85 -8.281 -2.504 7.668 1.00 0.00 C ATOM 1299 C ALA A 85 -8.629 -2.603 9.147 1.00 0.00 C ATOM 1300 O ALA A 85 -9.710 -2.197 9.582 1.00 0.00 O ATOM 1301 CB ALA A 85 -7.471 -3.712 7.177 1.00 0.00 C ATOM 0 H ALA A 85 -7.126 -1.011 8.469 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.164 -2.510 7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.073 -4.616 7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.197 -3.566 6.132 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.568 -3.813 7.778 1.00 0.00 H new ATOM 1307 N ASN A 86 -7.658 -3.050 9.948 1.00 0.00 N ATOM 1308 CA ASN A 86 -7.871 -3.501 11.319 1.00 0.00 C ATOM 1309 C ASN A 86 -6.707 -3.164 12.254 1.00 0.00 C ATOM 1310 O ASN A 86 -6.893 -3.172 13.473 1.00 0.00 O ATOM 1311 CB ASN A 86 -8.119 -5.020 11.298 1.00 0.00 C ATOM 1312 CG ASN A 86 -9.605 -5.344 11.385 1.00 0.00 C ATOM 1313 OD1 ASN A 86 -10.361 -5.110 10.451 1.00 0.00 O ATOM 1314 ND2 ASN A 86 -10.051 -5.900 12.497 1.00 0.00 N ATOM 0 H ASN A 86 -6.684 -3.108 9.652 1.00 0.00 H new ATOM 0 HA ASN A 86 -8.736 -2.970 11.716 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -7.706 -5.445 10.383 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -7.594 -5.487 12.131 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -11.038 -6.141 12.586 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -9.408 -6.089 13.266 1.00 0.00 H new ATOM 1321 N ARG A 87 -5.519 -2.835 11.737 1.00 0.00 N ATOM 1322 CA ARG A 87 -4.311 -2.596 12.540 1.00 0.00 C ATOM 1323 C ARG A 87 -4.098 -1.095 12.702 1.00 0.00 C ATOM 1324 O ARG A 87 -4.975 -0.323 12.333 1.00 0.00 O ATOM 1325 CB ARG A 87 -3.096 -3.269 11.883 1.00 0.00 C ATOM 1326 CG ARG A 87 -3.340 -4.768 11.649 1.00 0.00 C ATOM 1327 CD ARG A 87 -2.066 -5.513 11.253 1.00 0.00 C ATOM 1328 NE ARG A 87 -1.286 -5.864 12.452 1.00 0.00 N ATOM 1329 CZ ARG A 87 -0.814 -7.068 12.789 1.00 0.00 C ATOM 1330 NH1 ARG A 87 -0.931 -8.097 11.963 1.00 0.00 N ATOM 1331 NH2 ARG A 87 -0.251 -7.250 13.975 1.00 0.00 N ATOM 0 H ARG A 87 -5.365 -2.725 10.735 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.435 -3.034 13.530 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.879 -2.782 10.932 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.219 -3.137 12.516 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.750 -5.212 12.556 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.088 -4.893 10.867 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.322 -6.417 10.700 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.465 -4.892 10.589 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.083 -5.102 13.099 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.386 -7.975 11.058 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.567 -9.011 12.232 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.178 -6.471 14.630 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.109 -8.169 14.233 1.00 0.00 H new ATOM 1345 N VAL A 88 -2.981 -0.661 13.289 1.00 0.00 N ATOM 1346 CA VAL A 88 -2.548 0.735 13.186 1.00 0.00 C ATOM 1347 C VAL A 88 -1.855 0.922 11.851 1.00 0.00 C ATOM 1348 O VAL A 88 -1.199 -0.007 11.400 1.00 0.00 O ATOM 1349 CB VAL A 88 -1.607 1.090 14.353 1.00 0.00 C ATOM 1350 CG1 VAL A 88 -0.316 0.273 14.360 1.00 0.00 C ATOM 1351 CG2 VAL A 88 -1.259 2.582 14.425 1.00 0.00 C ATOM 0 H VAL A 88 -2.360 -1.254 13.840 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.408 1.402 13.245 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.186 0.829 15.239 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.300 0.574 15.207 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.557 -0.787 14.444 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.231 0.449 13.434 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.593 2.760 15.270 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.764 2.885 13.503 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.172 3.163 14.554 1.00 0.00 H new ATOM 1361 N VAL A 89 -1.921 2.116 11.274 1.00 0.00 N ATOM 1362 CA VAL A 89 -1.166 2.553 10.114 1.00 0.00 C ATOM 1363 C VAL A 89 -0.145 3.582 10.595 1.00 0.00 C ATOM 1364 O VAL A 89 -0.469 4.500 11.356 1.00 0.00 O ATOM 1365 CB VAL A 89 -2.146 3.121 9.065 1.00 0.00 C ATOM 1366 CG1 VAL A 89 -1.446 3.850 7.906 1.00 0.00 C ATOM 1367 CG2 VAL A 89 -3.011 1.978 8.506 1.00 0.00 C ATOM 0 H VAL A 89 -2.541 2.845 11.627 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.629 1.735 9.634 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.761 3.863 9.575 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.194 4.223 7.206 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.867 4.686 8.299 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.780 3.158 7.390 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.704 2.375 7.765 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.369 1.231 8.039 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.573 1.517 9.318 1.00 0.00 H new ATOM 1377 N VAL A 90 1.096 3.433 10.140 1.00 0.00 N ATOM 1378 CA VAL A 90 2.096 4.492 10.152 1.00 0.00 C ATOM 1379 C VAL A 90 2.184 5.056 8.737 1.00 0.00 C ATOM 1380 O VAL A 90 2.148 4.312 7.750 1.00 0.00 O ATOM 1381 CB VAL A 90 3.460 4.032 10.732 1.00 0.00 C ATOM 1382 CG1 VAL A 90 3.551 4.394 12.215 1.00 0.00 C ATOM 1383 CG2 VAL A 90 3.733 2.522 10.635 1.00 0.00 C ATOM 0 H VAL A 90 1.439 2.557 9.746 1.00 0.00 H new ATOM 0 HA VAL A 90 1.792 5.286 10.834 1.00 0.00 H new ATOM 0 HB VAL A 90 4.198 4.549 10.119 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.512 4.066 12.611 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.459 5.474 12.332 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.747 3.900 12.760 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.709 2.300 11.066 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.963 1.977 11.181 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.721 2.217 9.589 1.00 0.00 H new ATOM 1393 N THR A 91 2.282 6.379 8.657 1.00 0.00 N ATOM 1394 CA THR A 91 2.425 7.145 7.428 1.00 0.00 C ATOM 1395 C THR A 91 3.900 7.562 7.280 1.00 0.00 C ATOM 1396 O THR A 91 4.622 7.697 8.278 1.00 0.00 O ATOM 1397 CB THR A 91 1.439 8.341 7.467 1.00 0.00 C ATOM 1398 OG1 THR A 91 1.350 8.947 8.745 1.00 0.00 O ATOM 1399 CG2 THR A 91 0.020 7.894 7.101 1.00 0.00 C ATOM 0 H THR A 91 2.263 6.972 9.487 1.00 0.00 H new ATOM 0 HA THR A 91 2.170 6.557 6.546 1.00 0.00 H new ATOM 0 HB THR A 91 1.837 9.057 6.748 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.857 9.791 8.673 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.652 8.752 7.136 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.019 7.473 6.096 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.318 7.139 7.811 1.00 0.00 H new ATOM 1407 N LYS A 92 4.377 7.739 6.040 1.00 0.00 N ATOM 1408 CA LYS A 92 5.692 8.321 5.705 1.00 0.00 C ATOM 1409 C LYS A 92 5.573 9.041 4.365 1.00 0.00 C ATOM 1410 O LYS A 92 4.739 8.628 3.568 1.00 0.00 O ATOM 1411 CB LYS A 92 6.722 7.186 5.546 1.00 0.00 C ATOM 1412 CG LYS A 92 7.553 6.860 6.792 1.00 0.00 C ATOM 1413 CD LYS A 92 8.952 7.493 6.742 1.00 0.00 C ATOM 1414 CE LYS A 92 9.922 6.911 7.777 1.00 0.00 C ATOM 1415 NZ LYS A 92 10.098 5.453 7.614 1.00 0.00 N ATOM 0 H LYS A 92 3.843 7.473 5.212 1.00 0.00 H new ATOM 0 HA LYS A 92 6.005 9.008 6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.195 6.283 5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.403 7.450 4.737 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.028 7.214 7.679 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.649 5.779 6.889 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.370 7.354 5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.862 8.567 6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.889 7.405 7.685 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.551 7.121 8.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.980 5.156 8.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.294 4.956 8.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.144 5.220 6.602 1.00 0.00 H new ATOM 1429 N TYR A 93 6.426 10.014 4.036 1.00 0.00 N ATOM 1430 CA TYR A 93 6.583 10.393 2.624 1.00 0.00 C ATOM 1431 C TYR A 93 7.431 9.321 1.944 1.00 0.00 C ATOM 1432 O TYR A 93 8.342 8.786 2.587 1.00 0.00 O ATOM 1433 CB TYR A 93 7.244 11.768 2.468 1.00 0.00 C ATOM 1434 CG TYR A 93 6.388 12.900 2.989 1.00 0.00 C ATOM 1435 CD1 TYR A 93 5.258 13.322 2.264 1.00 0.00 C ATOM 1436 CD2 TYR A 93 6.692 13.501 4.224 1.00 0.00 C ATOM 1437 CE1 TYR A 93 4.424 14.326 2.788 1.00 0.00 C ATOM 1438 CE2 TYR A 93 5.855 14.485 4.760 1.00 0.00 C ATOM 1439 CZ TYR A 93 4.716 14.903 4.044 1.00 0.00 C ATOM 1440 OH TYR A 93 3.900 15.842 4.582 1.00 0.00 O ATOM 0 H TYR A 93 7.000 10.538 4.697 1.00 0.00 H new ATOM 0 HA TYR A 93 5.598 10.464 2.162 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.197 11.768 2.997 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.464 11.942 1.415 1.00 0.00 H new ATOM 0 HD1 TYR A 93 5.032 12.876 1.307 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.579 13.200 4.762 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.560 14.656 2.230 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.081 14.923 5.721 1.00 0.00 H new ATOM 0 HH TYR A 93 4.256 16.126 5.450 1.00 0.00 H new ATOM 1450 N CYS A 94 7.140 9.019 0.677 1.00 0.00 N ATOM 1451 CA CYS A 94 7.967 8.158 -0.170 1.00 0.00 C ATOM 1452 C CYS A 94 8.726 9.033 -1.163 1.00 0.00 C ATOM 1453 O CYS A 94 8.860 10.241 -0.943 1.00 0.00 O ATOM 1454 CB CYS A 94 7.151 7.035 -0.843 1.00 0.00 C ATOM 1455 SG CYS A 94 8.114 5.504 -0.721 1.00 0.00 S ATOM 0 H CYS A 94 6.309 9.372 0.203 1.00 0.00 H new ATOM 0 HA CYS A 94 8.693 7.630 0.449 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.184 6.919 -0.353 1.00 0.00 H new ATOM 0 HB3 CYS A 94 6.952 7.280 -1.886 1.00 0.00 H new ATOM 0 HG CYS A 94 7.344 4.486 -0.970 1.00 0.00 H new ATOM 1461 N ASP A 95 9.271 8.438 -2.218 1.00 0.00 N ATOM 1462 CA ASP A 95 9.783 9.179 -3.361 1.00 0.00 C ATOM 1463 C ASP A 95 8.848 8.892 -4.536 1.00 0.00 C ATOM 1464 O ASP A 95 8.386 7.757 -4.667 1.00 0.00 O ATOM 1465 CB ASP A 95 11.205 8.722 -3.679 1.00 0.00 C ATOM 1466 CG ASP A 95 12.137 8.989 -2.505 1.00 0.00 C ATOM 1467 OD1 ASP A 95 12.507 10.160 -2.271 1.00 0.00 O ATOM 1468 OD2 ASP A 95 12.418 8.060 -1.715 1.00 0.00 O ATOM 0 H ASP A 95 9.370 7.426 -2.303 1.00 0.00 H new ATOM 0 HA ASP A 95 9.818 10.249 -3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.205 7.658 -3.914 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.570 9.244 -4.564 1.00 0.00 H new ATOM 1473 N PRO A 96 8.575 9.869 -5.418 1.00 0.00 N ATOM 1474 CA PRO A 96 7.659 9.682 -6.534 1.00 0.00 C ATOM 1475 C PRO A 96 8.336 8.937 -7.689 1.00 0.00 C ATOM 1476 O PRO A 96 7.663 8.240 -8.441 1.00 0.00 O ATOM 1477 CB PRO A 96 7.207 11.085 -6.948 1.00 0.00 C ATOM 1478 CG PRO A 96 8.393 11.950 -6.551 1.00 0.00 C ATOM 1479 CD PRO A 96 8.991 11.255 -5.334 1.00 0.00 C ATOM 0 HA PRO A 96 6.805 9.067 -6.250 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.002 11.145 -8.017 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.296 11.386 -6.431 1.00 0.00 H new ATOM 0 HG2 PRO A 96 9.118 12.023 -7.361 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.079 12.966 -6.312 1.00 0.00 H new ATOM 0 HD2 PRO A 96 10.078 11.336 -5.334 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.637 11.713 -4.410 1.00 0.00 H new ATOM 1487 N ASP A 97 9.658 9.031 -7.835 1.00 0.00 N ATOM 1488 CA ASP A 97 10.408 8.302 -8.844 1.00 0.00 C ATOM 1489 C ASP A 97 10.159 6.806 -8.718 1.00 0.00 C ATOM 1490 O ASP A 97 9.801 6.145 -9.694 1.00 0.00 O ATOM 1491 CB ASP A 97 11.901 8.562 -8.660 1.00 0.00 C ATOM 1492 CG ASP A 97 12.495 9.406 -9.781 1.00 0.00 C ATOM 1493 OD1 ASP A 97 12.174 9.187 -10.971 1.00 0.00 O ATOM 1494 OD2 ASP A 97 13.208 10.386 -9.455 1.00 0.00 O ATOM 0 H ASP A 97 10.241 9.625 -7.245 1.00 0.00 H new ATOM 0 HA ASP A 97 10.081 8.643 -9.827 1.00 0.00 H new ATOM 0 HB2 ASP A 97 12.063 9.066 -7.707 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.428 7.609 -8.610 1.00 0.00 H new ATOM 1499 N SER A 98 10.359 6.261 -7.517 1.00 0.00 N ATOM 1500 CA SER A 98 10.125 4.853 -7.278 1.00 0.00 C ATOM 1501 C SER A 98 8.628 4.550 -7.141 1.00 0.00 C ATOM 1502 O SER A 98 8.255 3.378 -7.108 1.00 0.00 O ATOM 1503 CB SER A 98 10.924 4.364 -6.060 1.00 0.00 C ATOM 1504 OG SER A 98 11.027 5.347 -5.051 1.00 0.00 O ATOM 0 H SER A 98 10.682 6.780 -6.701 1.00 0.00 H new ATOM 0 HA SER A 98 10.482 4.299 -8.146 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.446 3.475 -5.649 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.924 4.070 -6.380 1.00 0.00 H new ATOM 0 HG SER A 98 11.541 4.990 -4.297 1.00 0.00 H new ATOM 1510 N TYR A 99 7.762 5.568 -7.038 1.00 0.00 N ATOM 1511 CA TYR A 99 6.318 5.397 -6.990 1.00 0.00 C ATOM 1512 C TYR A 99 5.764 5.076 -8.370 1.00 0.00 C ATOM 1513 O TYR A 99 4.909 4.197 -8.497 1.00 0.00 O ATOM 1514 CB TYR A 99 5.624 6.647 -6.420 1.00 0.00 C ATOM 1515 CG TYR A 99 4.124 6.501 -6.291 1.00 0.00 C ATOM 1516 CD1 TYR A 99 3.288 6.697 -7.408 1.00 0.00 C ATOM 1517 CD2 TYR A 99 3.560 6.135 -5.061 1.00 0.00 C ATOM 1518 CE1 TYR A 99 1.935 6.329 -7.356 1.00 0.00 C ATOM 1519 CE2 TYR A 99 2.195 5.826 -4.988 1.00 0.00 C ATOM 1520 CZ TYR A 99 1.394 5.830 -6.151 1.00 0.00 C ATOM 1521 OH TYR A 99 0.117 5.369 -6.107 1.00 0.00 O ATOM 0 H TYR A 99 8.057 6.543 -6.986 1.00 0.00 H new ATOM 0 HA TYR A 99 6.111 4.558 -6.325 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.045 6.871 -5.440 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.844 7.499 -7.063 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.691 7.133 -8.310 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.174 6.091 -4.174 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.311 6.427 -8.232 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.752 5.583 -4.034 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.089 5.063 -5.199 1.00 0.00 H new ATOM 1531 N HIS A 100 6.237 5.788 -9.397 1.00 0.00 N ATOM 1532 CA HIS A 100 5.825 5.552 -10.769 1.00 0.00 C ATOM 1533 C HIS A 100 6.217 4.148 -11.244 1.00 0.00 C ATOM 1534 O HIS A 100 5.643 3.651 -12.216 1.00 0.00 O ATOM 1535 CB HIS A 100 6.475 6.590 -11.689 1.00 0.00 C ATOM 1536 CG HIS A 100 6.064 8.022 -11.456 1.00 0.00 C ATOM 1537 ND1 HIS A 100 6.899 9.040 -11.061 1.00 0.00 N ATOM 1538 CD2 HIS A 100 4.815 8.554 -11.628 1.00 0.00 C ATOM 1539 CE1 HIS A 100 6.171 10.165 -10.991 1.00 0.00 C ATOM 1540 NE2 HIS A 100 4.902 9.925 -11.361 1.00 0.00 N ATOM 0 H HIS A 100 6.916 6.542 -9.293 1.00 0.00 H new ATOM 0 HA HIS A 100 4.739 5.637 -10.808 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.557 6.520 -11.578 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.243 6.329 -12.721 1.00 0.00 H new ATOM 0 HD2 HIS A 100 3.925 8.015 -11.917 1.00 0.00 H new ATOM 0 HE1 HIS A 100 6.551 11.127 -10.681 1.00 0.00 H new ATOM 0 HE2 HIS A 100 4.149 10.609 -11.433 1.00 0.00 H new ATOM 1548 N ARG A 101 7.207 3.516 -10.613 1.00 0.00 N ATOM 1549 CA ARG A 101 7.785 2.241 -11.016 1.00 0.00 C ATOM 1550 C ARG A 101 7.510 1.193 -9.949 1.00 0.00 C ATOM 1551 O ARG A 101 6.881 1.472 -8.934 1.00 0.00 O ATOM 1552 CB ARG A 101 9.297 2.418 -11.216 1.00 0.00 C ATOM 1553 CG ARG A 101 9.680 3.462 -12.266 1.00 0.00 C ATOM 1554 CD ARG A 101 9.147 3.198 -13.684 1.00 0.00 C ATOM 1555 NE ARG A 101 8.230 4.254 -14.152 1.00 0.00 N ATOM 1556 CZ ARG A 101 8.586 5.497 -14.495 1.00 0.00 C ATOM 1557 NH1 ARG A 101 9.845 5.913 -14.401 1.00 0.00 N ATOM 1558 NH2 ARG A 101 7.676 6.355 -14.941 1.00 0.00 N ATOM 0 H ARG A 101 7.643 3.897 -9.773 1.00 0.00 H new ATOM 0 HA ARG A 101 7.336 1.908 -11.952 1.00 0.00 H new ATOM 0 HB2 ARG A 101 9.746 2.698 -10.263 1.00 0.00 H new ATOM 0 HB3 ARG A 101 9.728 1.458 -11.502 1.00 0.00 H new ATOM 0 HG2 ARG A 101 9.317 4.435 -11.935 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.767 3.525 -12.311 1.00 0.00 H new ATOM 0 HD2 ARG A 101 9.987 3.119 -14.375 1.00 0.00 H new ATOM 0 HD3 ARG A 101 8.629 2.239 -13.701 1.00 0.00 H new ATOM 0 HE ARG A 101 7.240 4.016 -14.220 1.00 0.00 H new ATOM 0 HH11 ARG A 101 10.568 5.279 -14.060 1.00 0.00 H new ATOM 0 HH12 ARG A 101 10.088 6.866 -14.670 1.00 0.00 H new ATOM 0 HH21 ARG A 101 6.701 6.067 -15.023 1.00 0.00 H new ATOM 0 HH22 ARG A 101 7.952 7.302 -15.201 1.00 0.00 H new ATOM 1572 N ARG A 102 8.026 -0.012 -10.169 1.00 0.00 N ATOM 1573 CA ARG A 102 7.953 -1.107 -9.217 1.00 0.00 C ATOM 1574 C ARG A 102 9.182 -1.133 -8.301 1.00 0.00 C ATOM 1575 O ARG A 102 9.670 -2.208 -7.952 1.00 0.00 O ATOM 1576 CB ARG A 102 7.733 -2.411 -10.002 1.00 0.00 C ATOM 1577 CG ARG A 102 6.832 -3.351 -9.205 1.00 0.00 C ATOM 1578 CD ARG A 102 6.573 -4.617 -9.981 1.00 0.00 C ATOM 1579 NE ARG A 102 5.458 -5.428 -9.476 1.00 0.00 N ATOM 1580 CZ ARG A 102 4.696 -6.216 -10.247 1.00 0.00 C ATOM 1581 NH1 ARG A 102 4.940 -6.361 -11.548 1.00 0.00 N ATOM 1582 NH2 ARG A 102 3.675 -6.853 -9.699 1.00 0.00 N ATOM 0 H ARG A 102 8.515 -0.256 -11.030 1.00 0.00 H new ATOM 0 HA ARG A 102 7.109 -0.975 -8.540 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.280 -2.192 -10.969 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.691 -2.892 -10.200 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.301 -3.592 -8.251 1.00 0.00 H new ATOM 0 HG3 ARG A 102 5.888 -2.855 -8.980 1.00 0.00 H new ATOM 0 HD2 ARG A 102 6.373 -4.356 -11.020 1.00 0.00 H new ATOM 0 HD3 ARG A 102 7.479 -5.224 -9.973 1.00 0.00 H new ATOM 0 HE ARG A 102 5.251 -5.389 -8.478 1.00 0.00 H new ATOM 0 HH11 ARG A 102 5.721 -5.866 -11.979 1.00 0.00 H new ATOM 0 HH12 ARG A 102 4.346 -6.967 -12.114 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.478 -6.740 -8.705 1.00 0.00 H new ATOM 0 HH22 ARG A 102 3.084 -7.457 -10.271 1.00 0.00 H new ATOM 1596 N ASP A 103 9.780 0.022 -8.003 1.00 0.00 N ATOM 1597 CA ASP A 103 11.140 0.105 -7.460 1.00 0.00 C ATOM 1598 C ASP A 103 11.150 0.063 -5.927 1.00 0.00 C ATOM 1599 O ASP A 103 11.734 0.912 -5.248 1.00 0.00 O ATOM 1600 CB ASP A 103 11.869 1.321 -8.041 1.00 0.00 C ATOM 1601 CG ASP A 103 13.372 1.181 -7.806 1.00 0.00 C ATOM 1602 OD1 ASP A 103 13.920 0.160 -8.289 1.00 0.00 O ATOM 1603 OD2 ASP A 103 13.998 2.096 -7.228 1.00 0.00 O ATOM 0 H ASP A 103 9.334 0.930 -8.131 1.00 0.00 H new ATOM 0 HA ASP A 103 11.695 -0.780 -7.772 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.664 1.404 -9.108 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.502 2.235 -7.574 1.00 0.00 H new ATOM 1608 N PHE A 104 10.427 -0.908 -5.372 1.00 0.00 N ATOM 1609 CA PHE A 104 10.108 -0.955 -3.954 1.00 0.00 C ATOM 1610 C PHE A 104 11.236 -1.606 -3.161 1.00 0.00 C ATOM 1611 O PHE A 104 11.715 -2.681 -3.525 1.00 0.00 O ATOM 1612 CB PHE A 104 8.799 -1.728 -3.740 1.00 0.00 C ATOM 1613 CG PHE A 104 7.680 -1.358 -4.697 1.00 0.00 C ATOM 1614 CD1 PHE A 104 7.319 -0.011 -4.876 1.00 0.00 C ATOM 1615 CD2 PHE A 104 7.049 -2.354 -5.465 1.00 0.00 C ATOM 1616 CE1 PHE A 104 6.330 0.338 -5.808 1.00 0.00 C ATOM 1617 CE2 PHE A 104 6.062 -2.005 -6.403 1.00 0.00 C ATOM 1618 CZ PHE A 104 5.694 -0.653 -6.567 1.00 0.00 C ATOM 0 H PHE A 104 10.044 -1.690 -5.903 1.00 0.00 H new ATOM 0 HA PHE A 104 9.987 0.067 -3.595 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.003 -2.794 -3.836 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.456 -1.560 -2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.805 0.758 -4.294 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.324 -3.390 -5.333 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.058 1.375 -5.941 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.586 -2.771 -6.997 1.00 0.00 H new ATOM 0 HZ PHE A 104 4.925 -0.383 -7.275 1.00 0.00 H new ATOM 1628 N TRP A 105 11.586 -0.992 -2.033 1.00 0.00 N ATOM 1629 CA TRP A 105 12.386 -1.556 -0.962 1.00 0.00 C ATOM 1630 C TRP A 105 11.691 -1.039 0.286 1.00 0.00 C ATOM 1631 O TRP A 105 11.496 0.192 0.382 1.00 0.00 O ATOM 1632 CB TRP A 105 13.845 -1.084 -1.105 1.00 0.00 C ATOM 1633 CG TRP A 105 14.927 -2.074 -0.812 1.00 0.00 C ATOM 1634 CD1 TRP A 105 15.072 -3.257 -1.449 1.00 0.00 C ATOM 1635 CD2 TRP A 105 16.108 -1.936 0.041 1.00 0.00 C ATOM 1636 NE1 TRP A 105 16.238 -3.868 -1.033 1.00 0.00 N ATOM 1637 CE2 TRP A 105 16.923 -3.095 -0.122 1.00 0.00 C ATOM 1638 CE3 TRP A 105 16.593 -0.935 0.911 1.00 0.00 C ATOM 1639 CZ2 TRP A 105 18.154 -3.250 0.535 1.00 0.00 C ATOM 1640 CZ3 TRP A 105 17.830 -1.072 1.568 1.00 0.00 C ATOM 1641 CH2 TRP A 105 18.612 -2.225 1.379 1.00 0.00 C ATOM 0 H TRP A 105 11.300 -0.033 -1.836 1.00 0.00 H new ATOM 0 HA TRP A 105 12.451 -2.644 -0.952 1.00 0.00 H new ATOM 0 HB2 TRP A 105 13.984 -0.728 -2.126 1.00 0.00 H new ATOM 0 HB3 TRP A 105 13.987 -0.227 -0.446 1.00 0.00 H new ATOM 0 HD1 TRP A 105 14.381 -3.663 -2.173 1.00 0.00 H new ATOM 0 HE1 TRP A 105 16.554 -4.781 -1.361 1.00 0.00 H new ATOM 0 HE3 TRP A 105 16.002 -0.046 1.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 18.741 -4.145 0.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 18.181 -0.287 2.221 1.00 0.00 H new ATOM 0 HH2 TRP A 105 19.563 -2.322 1.882 1.00 0.00 H new TER 1652 TRP A 105