USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 902 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 84 THR OG1 : rot 68:sc= 1.08 USER MOD Set 1.2: A 96 LYS NZ :NH3+ 149:sc= -0.532 (180deg=-1.91!) USER MOD Set 2.1: A 71 LYS NZ :NH3+ 148:sc= 1.17 (180deg=0) USER MOD Set 2.2: A 75 SER OG : rot -28:sc= 1.19 USER MOD Set 3.1: A 3 SER OG : rot 175:sc= 0.222 USER MOD Set 3.2: A 59 ASN : amide:sc= 0.215 K(o=0.44,f=-1.4) USER MOD Set 4.1: A 13 THR OG1 : rot 171:sc= 0.67 USER MOD Set 4.2: A 16 THR OG1 : rot 95:sc= 0.634 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.191 (180deg=-0.202) USER MOD Single : A 7 GLN : amide:sc= -1.5 K(o=-1.5,f=-2.9) USER MOD Single : A 11 CYS SG : rot 64:sc= -1.96! USER MOD Single : A 12 HIS : no HE2:sc= 1.26 K(o=1.3,f=-4.4!) USER MOD Single : A 18 ASN : amide:sc= -0.222 K(o=-0.22,f=-1.2!) USER MOD Single : A 20 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.77) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 27 SER OG : rot 92:sc= 0.00889 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0044 USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.93! USER MOD Single : A 38 SER OG : rot -12:sc= 0.653 USER MOD Single : A 55 LYS NZ :NH3+ 161:sc= 1.21 (180deg=0.942) USER MOD Single : A 56 LYS NZ :NH3+ -168:sc= -0.0256 (180deg=-0.222) USER MOD Single : A 64 LYS NZ :NH3+ 163:sc= 1.32 (180deg=-0.122!) USER MOD Single : A 67 THR OG1 : rot -18:sc= 0.635 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl -161:sc= -0.209 (180deg=-1.37) USER MOD Single : A 86 MET CE :methyl 167:sc= -0.543 (180deg=-0.7) USER MOD Single : A 89 LYS NZ :NH3+ -173:sc= 1.16 (180deg=0.96) USER MOD Single : A 92 LYS NZ :NH3+ 166:sc= 1.27 (180deg=0.981) USER MOD Single : A 101 LYS NZ :NH3+ -167:sc= -0.0357 (180deg=-0.211) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN :FLIP amide:sc= -1.22 F(o=-3.5!,f=-1.2) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 75:sc= 0.866 USER MOD Single : A 111 LYS NZ :NH3+ -166:sc= 1.14 (180deg=0.66) USER MOD Single : A 112 HIS : no HD1:sc= -1.7! C(o=-1.7!,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.353 5.241 -21.189 1.00 0.00 N ATOM 2 CA MET A 1 -11.102 4.571 -21.017 1.00 0.00 C ATOM 3 C MET A 1 -10.950 4.254 -19.551 1.00 0.00 C ATOM 4 O MET A 1 -11.826 4.589 -18.747 1.00 0.00 O ATOM 5 CB MET A 1 -9.946 5.469 -21.482 1.00 0.00 C ATOM 6 CG MET A 1 -10.007 5.853 -22.948 1.00 0.00 C ATOM 7 SD MET A 1 -8.635 6.909 -23.458 1.00 0.00 S ATOM 8 CE MET A 1 -9.053 7.138 -25.184 1.00 0.00 C ATOM 0 H1 MET A 1 -12.872 4.809 -21.980 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.915 5.156 -20.318 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.183 6.246 -21.395 1.00 0.00 H new ATOM 0 HA MET A 1 -11.079 3.658 -21.612 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.942 6.378 -20.880 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.003 4.956 -21.291 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.007 4.948 -23.555 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.947 6.368 -23.144 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.304 7.772 -25.659 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.078 6.170 -25.684 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.031 7.612 -25.262 1.00 0.00 H new ATOM 18 N ALA A 2 -9.876 3.634 -19.192 1.00 0.00 N ATOM 19 CA ALA A 2 -9.632 3.326 -17.816 1.00 0.00 C ATOM 20 C ALA A 2 -8.929 4.499 -17.155 1.00 0.00 C ATOM 21 O ALA A 2 -8.506 5.454 -17.835 1.00 0.00 O ATOM 22 CB ALA A 2 -8.797 2.061 -17.698 1.00 0.00 C ATOM 0 H ALA A 2 -9.146 3.327 -19.835 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.581 3.151 -17.310 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.619 1.839 -16.646 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.329 1.229 -18.159 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.843 2.206 -18.204 1.00 0.00 H new ATOM 28 N SER A 3 -8.803 4.449 -15.871 1.00 0.00 N ATOM 29 CA SER A 3 -8.120 5.469 -15.139 1.00 0.00 C ATOM 30 C SER A 3 -6.673 5.006 -14.999 1.00 0.00 C ATOM 31 O SER A 3 -6.275 4.007 -15.640 1.00 0.00 O ATOM 32 CB SER A 3 -8.792 5.622 -13.761 1.00 0.00 C ATOM 33 OG SER A 3 -8.308 6.749 -13.045 1.00 0.00 O ATOM 0 H SER A 3 -9.173 3.694 -15.293 1.00 0.00 H new ATOM 0 HA SER A 3 -8.156 6.437 -15.639 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.870 5.715 -13.894 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.620 4.720 -13.174 1.00 0.00 H new ATOM 0 HG SER A 3 -8.817 6.852 -12.214 1.00 0.00 H new ATOM 39 N GLU A 4 -5.869 5.693 -14.227 1.00 0.00 N ATOM 40 CA GLU A 4 -4.549 5.199 -13.980 1.00 0.00 C ATOM 41 C GLU A 4 -4.660 4.171 -12.861 1.00 0.00 C ATOM 42 O GLU A 4 -4.448 4.457 -11.684 1.00 0.00 O ATOM 43 CB GLU A 4 -3.557 6.320 -13.662 1.00 0.00 C ATOM 44 CG GLU A 4 -2.117 5.858 -13.619 1.00 0.00 C ATOM 45 CD GLU A 4 -1.716 5.177 -14.906 1.00 0.00 C ATOM 46 OE1 GLU A 4 -1.570 5.862 -15.939 1.00 0.00 O ATOM 47 OE2 GLU A 4 -1.534 3.948 -14.906 1.00 0.00 O ATOM 0 H GLU A 4 -6.102 6.575 -13.771 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.145 4.729 -14.877 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.656 7.105 -14.411 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.817 6.762 -12.700 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.465 6.713 -13.440 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.979 5.171 -12.784 1.00 0.00 H new ATOM 54 N GLU A 5 -5.085 3.008 -13.256 1.00 0.00 N ATOM 55 CA GLU A 5 -5.449 1.947 -12.370 1.00 0.00 C ATOM 56 C GLU A 5 -4.738 0.680 -12.763 1.00 0.00 C ATOM 57 O GLU A 5 -4.057 0.636 -13.797 1.00 0.00 O ATOM 58 CB GLU A 5 -6.962 1.743 -12.489 1.00 0.00 C ATOM 59 CG GLU A 5 -7.408 1.412 -13.913 1.00 0.00 C ATOM 60 CD GLU A 5 -8.897 1.308 -14.067 1.00 0.00 C ATOM 61 OE1 GLU A 5 -9.553 2.340 -14.303 1.00 0.00 O ATOM 62 OE2 GLU A 5 -9.434 0.202 -13.987 1.00 0.00 O ATOM 0 H GLU A 5 -5.191 2.765 -14.241 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.170 2.196 -11.346 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.268 0.938 -11.821 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.473 2.646 -12.155 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.034 2.180 -14.590 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.953 0.470 -14.218 1.00 0.00 H new ATOM 69 N GLY A 6 -4.882 -0.342 -11.942 1.00 0.00 N ATOM 70 CA GLY A 6 -4.283 -1.625 -12.239 1.00 0.00 C ATOM 71 C GLY A 6 -2.789 -1.610 -12.069 1.00 0.00 C ATOM 72 O GLY A 6 -2.094 -2.506 -12.541 1.00 0.00 O ATOM 0 H GLY A 6 -5.407 -0.308 -11.068 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.713 -2.384 -11.586 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.527 -1.909 -13.263 1.00 0.00 H new ATOM 76 N GLN A 7 -2.290 -0.593 -11.409 1.00 0.00 N ATOM 77 CA GLN A 7 -0.885 -0.452 -11.195 1.00 0.00 C ATOM 78 C GLN A 7 -0.597 0.012 -9.813 1.00 0.00 C ATOM 79 O GLN A 7 -1.396 0.718 -9.191 1.00 0.00 O ATOM 80 CB GLN A 7 -0.233 0.438 -12.269 1.00 0.00 C ATOM 81 CG GLN A 7 -0.817 1.855 -12.430 1.00 0.00 C ATOM 82 CD GLN A 7 -0.392 2.815 -11.327 1.00 0.00 C ATOM 83 OE1 GLN A 7 0.703 2.699 -10.788 1.00 0.00 O ATOM 84 NE2 GLN A 7 -1.247 3.742 -10.980 1.00 0.00 N ATOM 0 H GLN A 7 -2.854 0.157 -11.008 1.00 0.00 H new ATOM 0 HA GLN A 7 -0.429 -1.437 -11.298 1.00 0.00 H new ATOM 0 HB2 GLN A 7 0.828 0.530 -12.039 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -0.308 -0.074 -13.229 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -0.507 2.260 -13.393 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -1.905 1.791 -12.446 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -2.149 3.807 -11.452 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -1.012 4.400 -10.237 1.00 0.00 H new ATOM 93 N VAL A 8 0.505 -0.412 -9.341 1.00 0.00 N ATOM 94 CA VAL A 8 0.958 -0.111 -8.006 1.00 0.00 C ATOM 95 C VAL A 8 2.260 0.677 -8.085 1.00 0.00 C ATOM 96 O VAL A 8 3.177 0.283 -8.832 1.00 0.00 O ATOM 97 CB VAL A 8 1.170 -1.422 -7.204 1.00 0.00 C ATOM 98 CG1 VAL A 8 1.644 -1.140 -5.803 1.00 0.00 C ATOM 99 CG2 VAL A 8 -0.107 -2.238 -7.166 1.00 0.00 C ATOM 0 H VAL A 8 1.151 -0.997 -9.871 1.00 0.00 H new ATOM 0 HA VAL A 8 0.205 0.487 -7.493 1.00 0.00 H new ATOM 0 HB VAL A 8 1.943 -1.997 -7.714 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.782 -2.080 -5.269 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.591 -0.602 -5.841 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.902 -0.534 -5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.063 -3.153 -6.599 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.896 -1.657 -6.689 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.407 -2.492 -8.183 1.00 0.00 H new ATOM 109 N ILE A 9 2.361 1.762 -7.345 1.00 0.00 N ATOM 110 CA ILE A 9 3.553 2.561 -7.367 1.00 0.00 C ATOM 111 C ILE A 9 4.594 1.923 -6.468 1.00 0.00 C ATOM 112 O ILE A 9 4.409 1.822 -5.258 1.00 0.00 O ATOM 113 CB ILE A 9 3.316 4.058 -6.940 1.00 0.00 C ATOM 114 CG1 ILE A 9 2.405 4.813 -7.932 1.00 0.00 C ATOM 115 CG2 ILE A 9 4.634 4.807 -6.776 1.00 0.00 C ATOM 116 CD1 ILE A 9 0.945 4.413 -7.912 1.00 0.00 C ATOM 0 H ILE A 9 1.628 2.105 -6.723 1.00 0.00 H new ATOM 0 HA ILE A 9 3.899 2.593 -8.400 1.00 0.00 H new ATOM 0 HB ILE A 9 2.808 4.023 -5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.474 5.880 -7.721 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.791 4.662 -8.940 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.433 5.837 -6.481 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.236 4.321 -6.008 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.177 4.800 -7.721 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.396 5.004 -8.645 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.854 3.355 -8.157 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.532 4.592 -6.919 1.00 0.00 H new ATOM 128 N ALA A 10 5.660 1.459 -7.047 1.00 0.00 N ATOM 129 CA ALA A 10 6.696 0.844 -6.271 1.00 0.00 C ATOM 130 C ALA A 10 7.763 1.854 -5.989 1.00 0.00 C ATOM 131 O ALA A 10 8.512 2.240 -6.882 1.00 0.00 O ATOM 132 CB ALA A 10 7.282 -0.349 -7.001 1.00 0.00 C ATOM 0 H ALA A 10 5.836 1.494 -8.051 1.00 0.00 H new ATOM 0 HA ALA A 10 6.272 0.487 -5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.066 -0.799 -6.392 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.498 -1.084 -7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.703 -0.023 -7.952 1.00 0.00 H new ATOM 138 N CYS A 11 7.835 2.295 -4.771 1.00 0.00 N ATOM 139 CA CYS A 11 8.800 3.256 -4.400 1.00 0.00 C ATOM 140 C CYS A 11 10.066 2.564 -3.992 1.00 0.00 C ATOM 141 O CYS A 11 10.076 1.744 -3.071 1.00 0.00 O ATOM 142 CB CYS A 11 8.286 4.087 -3.250 1.00 0.00 C ATOM 143 SG CYS A 11 6.671 4.831 -3.546 1.00 0.00 S ATOM 0 H CYS A 11 7.222 1.993 -4.014 1.00 0.00 H new ATOM 0 HA CYS A 11 8.998 3.908 -5.250 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.228 3.460 -2.360 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.005 4.878 -3.037 1.00 0.00 H new ATOM 0 HG CYS A 11 5.780 3.894 -3.682 1.00 0.00 H new ATOM 149 N HIS A 12 11.107 2.841 -4.695 1.00 0.00 N ATOM 150 CA HIS A 12 12.408 2.337 -4.345 1.00 0.00 C ATOM 151 C HIS A 12 13.265 3.489 -3.909 1.00 0.00 C ATOM 152 O HIS A 12 14.473 3.355 -3.731 1.00 0.00 O ATOM 153 CB HIS A 12 13.060 1.568 -5.504 1.00 0.00 C ATOM 154 CG HIS A 12 12.382 0.273 -5.849 1.00 0.00 C ATOM 155 ND1 HIS A 12 12.858 -0.954 -5.440 1.00 0.00 N ATOM 156 CD2 HIS A 12 11.267 0.013 -6.575 1.00 0.00 C ATOM 157 CE1 HIS A 12 12.066 -1.908 -5.894 1.00 0.00 C ATOM 158 NE2 HIS A 12 11.095 -1.346 -6.586 1.00 0.00 N ATOM 0 H HIS A 12 11.091 3.424 -5.532 1.00 0.00 H new ATOM 0 HA HIS A 12 12.303 1.623 -3.528 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.069 2.206 -6.388 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.100 1.363 -5.248 1.00 0.00 H new ATOM 0 HD1 HIS A 12 13.693 -1.102 -4.874 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.632 0.742 -7.056 1.00 0.00 H new ATOM 0 HE1 HIS A 12 12.192 -2.968 -5.727 1.00 0.00 H new ATOM 167 N THR A 13 12.613 4.628 -3.718 1.00 0.00 N ATOM 168 CA THR A 13 13.264 5.838 -3.312 1.00 0.00 C ATOM 169 C THR A 13 12.381 6.559 -2.317 1.00 0.00 C ATOM 170 O THR A 13 11.145 6.374 -2.319 1.00 0.00 O ATOM 171 CB THR A 13 13.531 6.778 -4.522 1.00 0.00 C ATOM 172 OG1 THR A 13 12.300 7.052 -5.219 1.00 0.00 O ATOM 173 CG2 THR A 13 14.545 6.178 -5.481 1.00 0.00 C ATOM 0 H THR A 13 11.606 4.725 -3.846 1.00 0.00 H new ATOM 0 HA THR A 13 14.223 5.576 -2.865 1.00 0.00 H new ATOM 0 HB THR A 13 13.944 7.709 -4.134 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.451 7.754 -5.886 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.707 6.862 -6.314 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.487 6.013 -4.958 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.169 5.227 -5.860 1.00 0.00 H new ATOM 181 N VAL A 14 12.984 7.369 -1.480 1.00 0.00 N ATOM 182 CA VAL A 14 12.248 8.145 -0.509 1.00 0.00 C ATOM 183 C VAL A 14 11.554 9.288 -1.236 1.00 0.00 C ATOM 184 O VAL A 14 10.506 9.764 -0.820 1.00 0.00 O ATOM 185 CB VAL A 14 13.181 8.708 0.583 1.00 0.00 C ATOM 186 CG1 VAL A 14 12.396 9.405 1.691 1.00 0.00 C ATOM 187 CG2 VAL A 14 14.070 7.616 1.148 1.00 0.00 C ATOM 0 H VAL A 14 13.994 7.509 -1.452 1.00 0.00 H new ATOM 0 HA VAL A 14 11.517 7.502 -0.018 1.00 0.00 H new ATOM 0 HB VAL A 14 13.818 9.459 0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.088 9.788 2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.825 10.232 1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.714 8.694 2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 14 14.719 8.036 1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.451 6.833 1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 14 14.680 7.193 0.349 1.00 0.00 H new ATOM 197 N GLU A 15 12.146 9.683 -2.355 1.00 0.00 N ATOM 198 CA GLU A 15 11.646 10.700 -3.207 1.00 0.00 C ATOM 199 C GLU A 15 10.243 10.371 -3.709 1.00 0.00 C ATOM 200 O GLU A 15 9.332 11.175 -3.566 1.00 0.00 O ATOM 201 CB GLU A 15 12.605 10.824 -4.359 1.00 0.00 C ATOM 202 CG GLU A 15 13.974 11.330 -3.964 1.00 0.00 C ATOM 203 CD GLU A 15 13.948 12.766 -3.500 1.00 0.00 C ATOM 204 OE1 GLU A 15 13.465 13.039 -2.384 1.00 0.00 O ATOM 205 OE2 GLU A 15 14.422 13.640 -4.253 1.00 0.00 O ATOM 0 H GLU A 15 13.020 9.275 -2.688 1.00 0.00 H new ATOM 0 HA GLU A 15 11.568 11.640 -2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.712 9.850 -4.836 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.180 11.498 -5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.374 10.702 -3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.651 11.238 -4.814 1.00 0.00 H new ATOM 212 N THR A 16 10.064 9.170 -4.262 1.00 0.00 N ATOM 213 CA THR A 16 8.762 8.758 -4.760 1.00 0.00 C ATOM 214 C THR A 16 7.797 8.551 -3.584 1.00 0.00 C ATOM 215 O THR A 16 6.616 8.875 -3.667 1.00 0.00 O ATOM 216 CB THR A 16 8.881 7.470 -5.599 1.00 0.00 C ATOM 217 OG1 THR A 16 9.870 7.678 -6.616 1.00 0.00 O ATOM 218 CG2 THR A 16 7.557 7.137 -6.273 1.00 0.00 C ATOM 0 H THR A 16 10.802 8.474 -4.373 1.00 0.00 H new ATOM 0 HA THR A 16 8.368 9.543 -5.405 1.00 0.00 H new ATOM 0 HB THR A 16 9.159 6.646 -4.942 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.736 7.343 -6.303 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.666 6.224 -6.859 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.789 6.991 -5.514 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.267 7.957 -6.930 1.00 0.00 H new ATOM 226 N TRP A 17 8.332 8.043 -2.488 1.00 0.00 N ATOM 227 CA TRP A 17 7.571 7.836 -1.263 1.00 0.00 C ATOM 228 C TRP A 17 6.960 9.154 -0.767 1.00 0.00 C ATOM 229 O TRP A 17 5.746 9.254 -0.559 1.00 0.00 O ATOM 230 CB TRP A 17 8.501 7.221 -0.211 1.00 0.00 C ATOM 231 CG TRP A 17 7.918 7.065 1.158 1.00 0.00 C ATOM 232 CD1 TRP A 17 8.280 7.755 2.274 1.00 0.00 C ATOM 233 CD2 TRP A 17 6.872 6.180 1.557 1.00 0.00 C ATOM 234 NE1 TRP A 17 7.540 7.341 3.343 1.00 0.00 N ATOM 235 CE2 TRP A 17 6.665 6.379 2.935 1.00 0.00 C ATOM 236 CE3 TRP A 17 6.096 5.244 0.889 1.00 0.00 C ATOM 237 CZ2 TRP A 17 5.713 5.671 3.654 1.00 0.00 C ATOM 238 CZ3 TRP A 17 5.151 4.546 1.603 1.00 0.00 C ATOM 239 CH2 TRP A 17 4.965 4.763 2.973 1.00 0.00 C ATOM 0 H TRP A 17 9.310 7.761 -2.420 1.00 0.00 H new ATOM 0 HA TRP A 17 6.741 7.156 -1.454 1.00 0.00 H new ATOM 0 HB2 TRP A 17 8.820 6.240 -0.564 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.395 7.840 -0.137 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.042 8.519 2.308 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.628 7.695 4.296 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.231 5.068 -0.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 5.572 5.835 4.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 4.539 3.815 1.096 1.00 0.00 H new ATOM 0 HH2 TRP A 17 4.211 4.197 3.500 1.00 0.00 H new ATOM 250 N ASN A 18 7.803 10.156 -0.618 1.00 0.00 N ATOM 251 CA ASN A 18 7.388 11.475 -0.154 1.00 0.00 C ATOM 252 C ASN A 18 6.420 12.096 -1.167 1.00 0.00 C ATOM 253 O ASN A 18 5.374 12.656 -0.791 1.00 0.00 O ATOM 254 CB ASN A 18 8.644 12.361 0.040 1.00 0.00 C ATOM 255 CG ASN A 18 8.390 13.727 0.677 1.00 0.00 C ATOM 256 OD1 ASN A 18 7.331 14.326 0.533 1.00 0.00 O ATOM 257 ND2 ASN A 18 9.372 14.227 1.388 1.00 0.00 N ATOM 0 H ASN A 18 8.801 10.083 -0.815 1.00 0.00 H new ATOM 0 HA ASN A 18 6.869 11.394 0.801 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.359 11.818 0.658 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.114 12.514 -0.932 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.265 15.136 1.838 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.243 13.707 1.491 1.00 0.00 H new ATOM 264 N GLU A 19 6.765 11.943 -2.441 1.00 0.00 N ATOM 265 CA GLU A 19 5.990 12.456 -3.570 1.00 0.00 C ATOM 266 C GLU A 19 4.548 11.950 -3.548 1.00 0.00 C ATOM 267 O GLU A 19 3.604 12.740 -3.670 1.00 0.00 O ATOM 268 CB GLU A 19 6.660 11.990 -4.863 1.00 0.00 C ATOM 269 CG GLU A 19 5.963 12.392 -6.142 1.00 0.00 C ATOM 270 CD GLU A 19 6.653 11.821 -7.345 1.00 0.00 C ATOM 271 OE1 GLU A 19 7.670 12.389 -7.776 1.00 0.00 O ATOM 272 OE2 GLU A 19 6.203 10.792 -7.873 1.00 0.00 O ATOM 0 H GLU A 19 7.610 11.448 -2.726 1.00 0.00 H new ATOM 0 HA GLU A 19 5.963 13.544 -3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.677 12.382 -4.886 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.738 10.903 -4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.929 12.049 -6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.937 13.479 -6.218 1.00 0.00 H new ATOM 279 N GLN A 20 4.378 10.654 -3.374 1.00 0.00 N ATOM 280 CA GLN A 20 3.099 10.051 -3.399 1.00 0.00 C ATOM 281 C GLN A 20 2.252 10.390 -2.188 1.00 0.00 C ATOM 282 O GLN A 20 1.060 10.646 -2.323 1.00 0.00 O ATOM 283 CB GLN A 20 3.235 8.574 -3.540 1.00 0.00 C ATOM 284 CG GLN A 20 3.798 8.086 -4.873 1.00 0.00 C ATOM 285 CD GLN A 20 3.005 8.582 -6.070 1.00 0.00 C ATOM 286 OE1 GLN A 20 2.038 7.958 -6.486 1.00 0.00 O ATOM 287 NE2 GLN A 20 3.441 9.671 -6.665 1.00 0.00 N ATOM 0 H GLN A 20 5.144 10.000 -3.211 1.00 0.00 H new ATOM 0 HA GLN A 20 2.576 10.460 -4.263 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.878 8.209 -2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.254 8.121 -3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.832 8.417 -4.967 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.810 6.996 -4.879 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.250 10.167 -6.292 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.970 10.019 -7.500 1.00 0.00 H new ATOM 296 N LEU A 21 2.854 10.406 -1.016 1.00 0.00 N ATOM 297 CA LEU A 21 2.143 10.676 0.180 1.00 0.00 C ATOM 298 C LEU A 21 1.666 12.095 0.241 1.00 0.00 C ATOM 299 O LEU A 21 0.514 12.345 0.594 1.00 0.00 O ATOM 300 CB LEU A 21 3.001 10.370 1.346 1.00 0.00 C ATOM 301 CG LEU A 21 3.390 8.919 1.577 1.00 0.00 C ATOM 302 CD1 LEU A 21 4.258 8.824 2.803 1.00 0.00 C ATOM 303 CD2 LEU A 21 2.158 8.031 1.728 1.00 0.00 C ATOM 0 H LEU A 21 3.850 10.230 -0.884 1.00 0.00 H new ATOM 0 HA LEU A 21 1.259 10.039 0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.918 10.951 1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.490 10.727 2.241 1.00 0.00 H new ATOM 0 HG LEU A 21 3.945 8.566 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.538 7.784 2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.157 9.424 2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.708 9.196 3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.471 7.000 1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.567 8.370 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.555 8.088 0.822 1.00 0.00 H new ATOM 315 N GLN A 22 2.537 13.020 -0.098 1.00 0.00 N ATOM 316 CA GLN A 22 2.173 14.415 -0.123 1.00 0.00 C ATOM 317 C GLN A 22 1.048 14.621 -1.139 1.00 0.00 C ATOM 318 O GLN A 22 0.096 15.345 -0.877 1.00 0.00 O ATOM 319 CB GLN A 22 3.385 15.284 -0.455 1.00 0.00 C ATOM 320 CG GLN A 22 3.106 16.780 -0.441 1.00 0.00 C ATOM 321 CD GLN A 22 4.323 17.603 -0.796 1.00 0.00 C ATOM 322 OE1 GLN A 22 5.462 17.205 -0.526 1.00 0.00 O ATOM 323 NE2 GLN A 22 4.110 18.735 -1.400 1.00 0.00 N ATOM 0 H GLN A 22 3.504 12.828 -0.360 1.00 0.00 H new ATOM 0 HA GLN A 22 1.819 14.716 0.863 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.179 15.068 0.260 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.758 15.005 -1.440 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.304 17.003 -1.145 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.752 17.070 0.548 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.156 19.031 -1.607 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.897 19.327 -1.667 1.00 0.00 H new ATOM 332 N LYS A 23 1.153 13.922 -2.271 1.00 0.00 N ATOM 333 CA LYS A 23 0.149 13.971 -3.329 1.00 0.00 C ATOM 334 C LYS A 23 -1.202 13.493 -2.798 1.00 0.00 C ATOM 335 O LYS A 23 -2.238 14.136 -3.029 1.00 0.00 O ATOM 336 CB LYS A 23 0.582 13.071 -4.497 1.00 0.00 C ATOM 337 CG LYS A 23 -0.319 13.123 -5.720 1.00 0.00 C ATOM 338 CD LYS A 23 0.155 12.151 -6.793 1.00 0.00 C ATOM 339 CE LYS A 23 -0.691 12.259 -8.052 1.00 0.00 C ATOM 340 NZ LYS A 23 -0.290 11.278 -9.092 1.00 0.00 N ATOM 0 H LYS A 23 1.939 13.306 -2.478 1.00 0.00 H new ATOM 0 HA LYS A 23 0.054 15.001 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.592 13.352 -4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.629 12.041 -4.143 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.342 12.881 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.332 14.136 -6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.198 12.354 -7.035 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.110 11.132 -6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.739 12.104 -7.796 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.607 13.268 -8.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.896 11.392 -9.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.702 11.440 -9.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.395 10.313 -8.718 1.00 0.00 H new ATOM 354 N ALA A 24 -1.181 12.382 -2.060 1.00 0.00 N ATOM 355 CA ALA A 24 -2.396 11.794 -1.543 1.00 0.00 C ATOM 356 C ALA A 24 -2.986 12.624 -0.413 1.00 0.00 C ATOM 357 O ALA A 24 -4.188 12.780 -0.321 1.00 0.00 O ATOM 358 CB ALA A 24 -2.146 10.364 -1.086 1.00 0.00 C ATOM 0 H ALA A 24 -0.329 11.878 -1.812 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.125 11.779 -2.353 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.072 9.938 -0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.797 9.768 -1.929 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.390 10.360 -0.301 1.00 0.00 H new ATOM 364 N ASN A 25 -2.134 13.165 0.425 1.00 0.00 N ATOM 365 CA ASN A 25 -2.570 13.956 1.580 1.00 0.00 C ATOM 366 C ASN A 25 -3.228 15.232 1.111 1.00 0.00 C ATOM 367 O ASN A 25 -4.348 15.578 1.522 1.00 0.00 O ATOM 368 CB ASN A 25 -1.365 14.324 2.431 1.00 0.00 C ATOM 369 CG ASN A 25 -1.748 14.957 3.769 1.00 0.00 C ATOM 370 OD1 ASN A 25 -1.977 14.254 4.763 1.00 0.00 O ATOM 371 ND2 ASN A 25 -1.783 16.271 3.820 1.00 0.00 N ATOM 0 H ASN A 25 -1.122 13.077 0.337 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.277 13.365 2.162 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.771 13.429 2.616 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.733 15.017 1.875 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.004 16.742 4.698 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.589 16.819 2.982 1.00 0.00 H new ATOM 378 N GLU A 26 -2.521 15.908 0.243 1.00 0.00 N ATOM 379 CA GLU A 26 -2.922 17.200 -0.329 1.00 0.00 C ATOM 380 C GLU A 26 -4.260 17.109 -1.078 1.00 0.00 C ATOM 381 O GLU A 26 -5.136 17.971 -0.930 1.00 0.00 O ATOM 382 CB GLU A 26 -1.848 17.639 -1.315 1.00 0.00 C ATOM 383 CG GLU A 26 -2.068 18.977 -1.969 1.00 0.00 C ATOM 384 CD GLU A 26 -1.044 19.233 -3.030 1.00 0.00 C ATOM 385 OE1 GLU A 26 0.071 19.693 -2.706 1.00 0.00 O ATOM 386 OE2 GLU A 26 -1.330 18.963 -4.217 1.00 0.00 O ATOM 0 H GLU A 26 -1.621 15.579 -0.106 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.040 17.912 0.488 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.891 17.663 -0.794 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.767 16.883 -2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.066 19.012 -2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.022 19.765 -1.217 1.00 0.00 H new ATOM 393 N SER A 27 -4.417 16.070 -1.855 1.00 0.00 N ATOM 394 CA SER A 27 -5.587 15.913 -2.675 1.00 0.00 C ATOM 395 C SER A 27 -6.658 15.073 -1.991 1.00 0.00 C ATOM 396 O SER A 27 -7.681 14.744 -2.610 1.00 0.00 O ATOM 397 CB SER A 27 -5.174 15.263 -3.979 1.00 0.00 C ATOM 398 OG SER A 27 -4.188 16.049 -4.643 1.00 0.00 O ATOM 0 H SER A 27 -3.740 15.312 -1.937 1.00 0.00 H new ATOM 0 HA SER A 27 -6.020 16.897 -2.854 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.781 14.265 -3.785 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.045 15.143 -4.623 1.00 0.00 H new ATOM 0 HG SER A 27 -3.295 15.742 -4.382 1.00 0.00 H new ATOM 404 N LYS A 28 -6.434 14.751 -0.714 1.00 0.00 N ATOM 405 CA LYS A 28 -7.319 13.875 0.042 1.00 0.00 C ATOM 406 C LYS A 28 -7.615 12.592 -0.704 1.00 0.00 C ATOM 407 O LYS A 28 -8.773 12.194 -0.878 1.00 0.00 O ATOM 408 CB LYS A 28 -8.602 14.541 0.485 1.00 0.00 C ATOM 409 CG LYS A 28 -8.456 15.589 1.563 1.00 0.00 C ATOM 410 CD LYS A 28 -9.827 15.986 2.078 1.00 0.00 C ATOM 411 CE LYS A 28 -9.734 16.960 3.228 1.00 0.00 C ATOM 412 NZ LYS A 28 -11.058 17.247 3.807 1.00 0.00 N ATOM 0 H LYS A 28 -5.634 15.092 -0.180 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.768 13.630 0.950 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.069 15.003 -0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.285 13.771 0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.848 15.202 2.380 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.938 16.463 1.167 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.404 16.433 1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.367 15.095 2.399 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.080 16.552 3.999 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.279 17.888 2.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.955 17.919 4.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.674 17.660 3.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.482 16.365 4.159 1.00 0.00 H new ATOM 426 N THR A 29 -6.592 11.970 -1.158 1.00 0.00 N ATOM 427 CA THR A 29 -6.725 10.766 -1.857 1.00 0.00 C ATOM 428 C THR A 29 -6.362 9.635 -0.915 1.00 0.00 C ATOM 429 O THR A 29 -5.482 9.774 -0.056 1.00 0.00 O ATOM 430 CB THR A 29 -5.823 10.737 -3.080 1.00 0.00 C ATOM 431 OG1 THR A 29 -5.939 11.991 -3.775 1.00 0.00 O ATOM 432 CG2 THR A 29 -6.277 9.644 -4.027 1.00 0.00 C ATOM 0 H THR A 29 -5.631 12.293 -1.049 1.00 0.00 H new ATOM 0 HA THR A 29 -7.752 10.660 -2.207 1.00 0.00 H new ATOM 0 HB THR A 29 -4.796 10.558 -2.760 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.359 11.982 -4.565 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.627 9.628 -4.902 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.228 8.680 -3.520 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.303 9.837 -4.341 1.00 0.00 H new ATOM 440 N LEU A 30 -7.047 8.565 -1.043 1.00 0.00 N ATOM 441 CA LEU A 30 -6.856 7.436 -0.191 1.00 0.00 C ATOM 442 C LEU A 30 -5.627 6.658 -0.686 1.00 0.00 C ATOM 443 O LEU A 30 -5.477 6.414 -1.895 1.00 0.00 O ATOM 444 CB LEU A 30 -8.163 6.600 -0.173 1.00 0.00 C ATOM 445 CG LEU A 30 -8.306 5.444 0.837 1.00 0.00 C ATOM 446 CD1 LEU A 30 -9.742 5.001 0.877 1.00 0.00 C ATOM 447 CD2 LEU A 30 -7.442 4.250 0.468 1.00 0.00 C ATOM 0 H LEU A 30 -7.770 8.437 -1.751 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.656 7.725 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.990 7.289 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.298 6.182 -1.171 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.978 5.813 1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.851 4.183 1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.372 5.836 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.046 4.662 -0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.576 3.461 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.734 3.879 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.395 4.552 0.445 1.00 0.00 H new ATOM 459 N VAL A 31 -4.752 6.308 0.230 1.00 0.00 N ATOM 460 CA VAL A 31 -3.515 5.655 -0.106 1.00 0.00 C ATOM 461 C VAL A 31 -3.330 4.354 0.697 1.00 0.00 C ATOM 462 O VAL A 31 -3.567 4.313 1.911 1.00 0.00 O ATOM 463 CB VAL A 31 -2.305 6.626 0.095 1.00 0.00 C ATOM 464 CG1 VAL A 31 -2.201 7.122 1.536 1.00 0.00 C ATOM 465 CG2 VAL A 31 -0.999 6.002 -0.364 1.00 0.00 C ATOM 0 H VAL A 31 -4.882 6.470 1.229 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.555 5.381 -1.160 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.495 7.495 -0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.347 7.793 1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.113 7.656 1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.069 6.272 2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.184 6.708 -0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.808 5.095 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.067 5.755 -1.423 1.00 0.00 H new ATOM 475 N VAL A 32 -2.944 3.308 0.011 1.00 0.00 N ATOM 476 CA VAL A 32 -2.688 2.028 0.620 1.00 0.00 C ATOM 477 C VAL A 32 -1.252 1.625 0.337 1.00 0.00 C ATOM 478 O VAL A 32 -0.831 1.570 -0.822 1.00 0.00 O ATOM 479 CB VAL A 32 -3.632 0.942 0.077 1.00 0.00 C ATOM 480 CG1 VAL A 32 -3.371 -0.398 0.755 1.00 0.00 C ATOM 481 CG2 VAL A 32 -5.090 1.349 0.224 1.00 0.00 C ATOM 0 H VAL A 32 -2.797 3.322 -0.998 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.860 2.120 1.692 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.425 0.829 -0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.052 -1.148 0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.342 -0.705 0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.532 -0.300 1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.730 0.559 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.318 1.510 1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.268 2.270 -0.331 1.00 0.00 H new ATOM 491 N VAL A 33 -0.506 1.358 1.370 1.00 0.00 N ATOM 492 CA VAL A 33 0.885 1.013 1.217 1.00 0.00 C ATOM 493 C VAL A 33 1.150 -0.410 1.698 1.00 0.00 C ATOM 494 O VAL A 33 0.675 -0.815 2.760 1.00 0.00 O ATOM 495 CB VAL A 33 1.802 1.990 1.997 1.00 0.00 C ATOM 496 CG1 VAL A 33 3.264 1.644 1.775 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.528 3.436 1.598 1.00 0.00 C ATOM 0 H VAL A 33 -0.837 1.372 2.335 1.00 0.00 H new ATOM 0 HA VAL A 33 1.115 1.086 0.154 1.00 0.00 H new ATOM 0 HB VAL A 33 1.579 1.885 3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.891 2.341 2.331 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.454 0.628 2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.497 1.714 0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.185 4.099 2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.714 3.560 0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.489 3.683 1.817 1.00 0.00 H new ATOM 507 N ASP A 34 1.877 -1.146 0.902 1.00 0.00 N ATOM 508 CA ASP A 34 2.313 -2.492 1.217 1.00 0.00 C ATOM 509 C ASP A 34 3.806 -2.457 1.505 1.00 0.00 C ATOM 510 O ASP A 34 4.593 -2.069 0.643 1.00 0.00 O ATOM 511 CB ASP A 34 2.057 -3.405 0.008 1.00 0.00 C ATOM 512 CG ASP A 34 2.558 -4.839 0.172 1.00 0.00 C ATOM 513 OD1 ASP A 34 3.790 -5.057 0.257 1.00 0.00 O ATOM 514 OD2 ASP A 34 1.758 -5.766 0.094 1.00 0.00 O ATOM 0 H ASP A 34 2.195 -0.822 -0.012 1.00 0.00 H new ATOM 0 HA ASP A 34 1.768 -2.871 2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.986 -3.430 -0.191 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.534 -2.966 -0.869 1.00 0.00 H new ATOM 519 N PHE A 35 4.186 -2.807 2.702 1.00 0.00 N ATOM 520 CA PHE A 35 5.562 -2.884 3.062 1.00 0.00 C ATOM 521 C PHE A 35 5.996 -4.333 2.982 1.00 0.00 C ATOM 522 O PHE A 35 5.489 -5.183 3.728 1.00 0.00 O ATOM 523 CB PHE A 35 5.767 -2.359 4.468 1.00 0.00 C ATOM 524 CG PHE A 35 5.392 -0.909 4.662 1.00 0.00 C ATOM 525 CD1 PHE A 35 6.316 0.096 4.423 1.00 0.00 C ATOM 526 CD2 PHE A 35 4.123 -0.555 5.097 1.00 0.00 C ATOM 527 CE1 PHE A 35 5.984 1.424 4.611 1.00 0.00 C ATOM 528 CE2 PHE A 35 3.783 0.769 5.286 1.00 0.00 C ATOM 529 CZ PHE A 35 4.716 1.760 5.046 1.00 0.00 C ATOM 0 H PHE A 35 3.541 -3.047 3.455 1.00 0.00 H new ATOM 0 HA PHE A 35 6.157 -2.276 2.381 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.181 -2.967 5.157 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.814 -2.489 4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.309 -0.162 4.085 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.392 -1.326 5.290 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.713 2.197 4.419 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.790 1.030 5.621 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.454 2.797 5.198 1.00 0.00 H new ATOM 539 N THR A 36 6.936 -4.604 2.129 1.00 0.00 N ATOM 540 CA THR A 36 7.333 -5.956 1.829 1.00 0.00 C ATOM 541 C THR A 36 8.841 -6.150 2.008 1.00 0.00 C ATOM 542 O THR A 36 9.604 -5.177 2.115 1.00 0.00 O ATOM 543 CB THR A 36 6.930 -6.275 0.353 1.00 0.00 C ATOM 544 OG1 THR A 36 7.235 -7.630 -0.001 1.00 0.00 O ATOM 545 CG2 THR A 36 7.655 -5.333 -0.605 1.00 0.00 C ATOM 0 H THR A 36 7.456 -3.893 1.615 1.00 0.00 H new ATOM 0 HA THR A 36 6.830 -6.633 2.519 1.00 0.00 H new ATOM 0 HB THR A 36 5.852 -6.133 0.273 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.968 -7.794 -0.930 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.367 -5.564 -1.630 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.385 -4.302 -0.376 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.732 -5.459 -0.494 1.00 0.00 H new ATOM 553 N ALA A 37 9.245 -7.404 2.037 1.00 0.00 N ATOM 554 CA ALA A 37 10.623 -7.796 2.138 1.00 0.00 C ATOM 555 C ALA A 37 10.965 -8.645 0.930 1.00 0.00 C ATOM 556 O ALA A 37 10.095 -9.328 0.369 1.00 0.00 O ATOM 557 CB ALA A 37 10.875 -8.572 3.419 1.00 0.00 C ATOM 0 H ALA A 37 8.602 -8.194 1.989 1.00 0.00 H new ATOM 0 HA ALA A 37 11.255 -6.908 2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 37 11.926 -8.857 3.471 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.625 -7.948 4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.255 -9.468 3.429 1.00 0.00 H new ATOM 563 N SER A 38 12.200 -8.615 0.533 1.00 0.00 N ATOM 564 CA SER A 38 12.647 -9.309 -0.653 1.00 0.00 C ATOM 565 C SER A 38 12.670 -10.844 -0.476 1.00 0.00 C ATOM 566 O SER A 38 12.499 -11.590 -1.437 1.00 0.00 O ATOM 567 CB SER A 38 14.026 -8.800 -1.022 1.00 0.00 C ATOM 568 OG SER A 38 14.028 -7.377 -1.135 1.00 0.00 O ATOM 0 H SER A 38 12.938 -8.107 1.021 1.00 0.00 H new ATOM 0 HA SER A 38 11.935 -9.104 -1.453 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.747 -9.110 -0.266 1.00 0.00 H new ATOM 0 HB3 SER A 38 14.342 -9.245 -1.966 1.00 0.00 H new ATOM 0 HG SER A 38 13.105 -7.048 -1.145 1.00 0.00 H new ATOM 574 N TRP A 39 12.857 -11.301 0.745 1.00 0.00 N ATOM 575 CA TRP A 39 13.013 -12.730 1.007 1.00 0.00 C ATOM 576 C TRP A 39 11.726 -13.454 1.426 1.00 0.00 C ATOM 577 O TRP A 39 11.746 -14.671 1.664 1.00 0.00 O ATOM 578 CB TRP A 39 14.145 -12.976 2.014 1.00 0.00 C ATOM 579 CG TRP A 39 14.051 -12.145 3.250 1.00 0.00 C ATOM 580 CD1 TRP A 39 14.778 -11.040 3.510 1.00 0.00 C ATOM 581 CD2 TRP A 39 13.189 -12.337 4.387 1.00 0.00 C ATOM 582 NE1 TRP A 39 14.434 -10.521 4.723 1.00 0.00 N ATOM 583 CE2 TRP A 39 13.465 -11.297 5.283 1.00 0.00 C ATOM 584 CE3 TRP A 39 12.216 -13.280 4.732 1.00 0.00 C ATOM 585 CZ2 TRP A 39 12.809 -11.168 6.497 1.00 0.00 C ATOM 586 CZ3 TRP A 39 11.563 -13.148 5.943 1.00 0.00 C ATOM 587 CH2 TRP A 39 11.865 -12.098 6.810 1.00 0.00 C ATOM 0 H TRP A 39 12.906 -10.710 1.575 1.00 0.00 H new ATOM 0 HA TRP A 39 13.279 -13.173 0.047 1.00 0.00 H new ATOM 0 HB2 TRP A 39 14.144 -14.029 2.296 1.00 0.00 H new ATOM 0 HB3 TRP A 39 15.100 -12.777 1.527 1.00 0.00 H new ATOM 0 HD1 TRP A 39 15.526 -10.625 2.851 1.00 0.00 H new ATOM 0 HE1 TRP A 39 14.838 -9.684 5.144 1.00 0.00 H new ATOM 0 HE3 TRP A 39 11.979 -14.096 4.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 13.039 -10.357 7.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 10.808 -13.868 6.222 1.00 0.00 H new ATOM 0 HH2 TRP A 39 11.339 -12.021 7.750 1.00 0.00 H new ATOM 598 N CYS A 40 10.621 -12.754 1.526 1.00 0.00 N ATOM 599 CA CYS A 40 9.390 -13.421 1.910 1.00 0.00 C ATOM 600 C CYS A 40 8.459 -13.647 0.721 1.00 0.00 C ATOM 601 O CYS A 40 8.066 -12.704 0.017 1.00 0.00 O ATOM 602 CB CYS A 40 8.703 -12.745 3.116 1.00 0.00 C ATOM 603 SG CYS A 40 8.434 -10.950 2.968 1.00 0.00 S ATOM 0 H CYS A 40 10.543 -11.752 1.354 1.00 0.00 H new ATOM 0 HA CYS A 40 9.665 -14.417 2.258 1.00 0.00 H new ATOM 0 HB2 CYS A 40 7.738 -13.226 3.278 1.00 0.00 H new ATOM 0 HB3 CYS A 40 9.305 -12.931 4.005 1.00 0.00 H new ATOM 608 N GLY A 41 8.114 -14.915 0.516 1.00 0.00 N ATOM 609 CA GLY A 41 7.312 -15.352 -0.616 1.00 0.00 C ATOM 610 C GLY A 41 5.942 -14.701 -0.706 1.00 0.00 C ATOM 611 O GLY A 41 5.662 -14.016 -1.698 1.00 0.00 O ATOM 0 H GLY A 41 8.388 -15.674 1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.860 -15.144 -1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.184 -16.433 -0.559 1.00 0.00 H new ATOM 615 N PRO A 42 5.053 -14.896 0.309 1.00 0.00 N ATOM 616 CA PRO A 42 3.700 -14.313 0.311 1.00 0.00 C ATOM 617 C PRO A 42 3.712 -12.801 0.114 1.00 0.00 C ATOM 618 O PRO A 42 2.795 -12.245 -0.465 1.00 0.00 O ATOM 619 CB PRO A 42 3.152 -14.663 1.690 1.00 0.00 C ATOM 620 CG PRO A 42 3.908 -15.879 2.096 1.00 0.00 C ATOM 621 CD PRO A 42 5.279 -15.728 1.512 1.00 0.00 C ATOM 0 HA PRO A 42 3.098 -14.702 -0.511 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.305 -13.847 2.396 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.080 -14.856 1.653 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.954 -15.965 3.182 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.423 -16.782 1.725 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.962 -15.245 2.211 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.715 -16.694 1.256 1.00 0.00 H new ATOM 629 N CYS A 43 4.767 -12.152 0.580 1.00 0.00 N ATOM 630 CA CYS A 43 4.910 -10.708 0.447 1.00 0.00 C ATOM 631 C CYS A 43 4.951 -10.317 -1.030 1.00 0.00 C ATOM 632 O CYS A 43 4.304 -9.356 -1.454 1.00 0.00 O ATOM 633 CB CYS A 43 6.200 -10.243 1.101 1.00 0.00 C ATOM 634 SG CYS A 43 6.424 -10.746 2.825 1.00 0.00 S ATOM 0 H CYS A 43 5.545 -12.606 1.059 1.00 0.00 H new ATOM 0 HA CYS A 43 4.057 -10.237 0.935 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.040 -10.622 0.518 1.00 0.00 H new ATOM 0 HB3 CYS A 43 6.241 -9.155 1.050 1.00 0.00 H new ATOM 639 N ARG A 44 5.722 -11.048 -1.809 1.00 0.00 N ATOM 640 CA ARG A 44 5.812 -10.762 -3.215 1.00 0.00 C ATOM 641 C ARG A 44 4.604 -11.339 -3.955 1.00 0.00 C ATOM 642 O ARG A 44 4.108 -10.753 -4.904 1.00 0.00 O ATOM 643 CB ARG A 44 7.118 -11.280 -3.808 1.00 0.00 C ATOM 644 CG ARG A 44 7.356 -10.789 -5.219 1.00 0.00 C ATOM 645 CD ARG A 44 8.664 -11.284 -5.779 1.00 0.00 C ATOM 646 NE ARG A 44 8.905 -10.731 -7.115 1.00 0.00 N ATOM 647 CZ ARG A 44 9.595 -11.324 -8.086 1.00 0.00 C ATOM 648 NH1 ARG A 44 10.105 -12.539 -7.904 1.00 0.00 N ATOM 649 NH2 ARG A 44 9.767 -10.701 -9.248 1.00 0.00 N ATOM 0 H ARG A 44 6.287 -11.835 -1.491 1.00 0.00 H new ATOM 0 HA ARG A 44 5.807 -9.679 -3.340 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.948 -10.968 -3.175 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.106 -12.370 -3.804 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.539 -11.120 -5.860 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.347 -9.699 -5.229 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.479 -11.003 -5.112 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.654 -12.373 -5.828 1.00 0.00 H new ATOM 0 HE ARG A 44 8.510 -9.813 -7.318 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.968 -13.022 -7.016 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.633 -12.988 -8.652 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.371 -9.772 -9.392 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.295 -11.152 -9.995 1.00 0.00 H new ATOM 663 N PHE A 45 4.111 -12.477 -3.478 1.00 0.00 N ATOM 664 CA PHE A 45 2.978 -13.163 -4.108 1.00 0.00 C ATOM 665 C PHE A 45 1.670 -12.381 -3.921 1.00 0.00 C ATOM 666 O PHE A 45 0.715 -12.554 -4.678 1.00 0.00 O ATOM 667 CB PHE A 45 2.839 -14.603 -3.566 1.00 0.00 C ATOM 668 CG PHE A 45 1.737 -15.405 -4.219 1.00 0.00 C ATOM 669 CD1 PHE A 45 1.947 -16.018 -5.443 1.00 0.00 C ATOM 670 CD2 PHE A 45 0.491 -15.534 -3.614 1.00 0.00 C ATOM 671 CE1 PHE A 45 0.942 -16.743 -6.052 1.00 0.00 C ATOM 672 CE2 PHE A 45 -0.514 -16.258 -4.220 1.00 0.00 C ATOM 673 CZ PHE A 45 -0.288 -16.863 -5.441 1.00 0.00 C ATOM 0 H PHE A 45 4.478 -12.950 -2.652 1.00 0.00 H new ATOM 0 HA PHE A 45 3.179 -13.216 -5.178 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.785 -15.125 -3.706 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.655 -14.559 -2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.908 -15.928 -5.927 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.309 -15.062 -2.660 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.119 -17.216 -7.007 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.477 -16.352 -3.740 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.075 -17.430 -5.917 1.00 0.00 H new ATOM 683 N ILE A 46 1.639 -11.494 -2.950 1.00 0.00 N ATOM 684 CA ILE A 46 0.434 -10.738 -2.696 1.00 0.00 C ATOM 685 C ILE A 46 0.425 -9.497 -3.608 1.00 0.00 C ATOM 686 O ILE A 46 -0.592 -8.844 -3.767 1.00 0.00 O ATOM 687 CB ILE A 46 0.323 -10.306 -1.179 1.00 0.00 C ATOM 688 CG1 ILE A 46 -1.089 -9.844 -0.822 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.320 -9.220 -0.822 1.00 0.00 C ATOM 690 CD1 ILE A 46 -2.105 -10.959 -0.839 1.00 0.00 C ATOM 0 H ILE A 46 2.422 -11.281 -2.332 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.427 -11.370 -2.914 1.00 0.00 H new ATOM 0 HB ILE A 46 0.558 -11.195 -0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.075 -9.390 0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.398 -9.069 -1.524 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.208 -8.954 0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.332 -9.583 -0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.137 -8.341 -1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.086 -10.562 -0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.146 -11.398 -1.836 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.818 -11.724 -0.117 1.00 0.00 H new ATOM 702 N ALA A 47 1.573 -9.223 -4.245 1.00 0.00 N ATOM 703 CA ALA A 47 1.721 -8.064 -5.128 1.00 0.00 C ATOM 704 C ALA A 47 0.745 -8.082 -6.326 1.00 0.00 C ATOM 705 O ALA A 47 0.059 -7.098 -6.545 1.00 0.00 O ATOM 706 CB ALA A 47 3.165 -7.873 -5.584 1.00 0.00 C ATOM 0 H ALA A 47 2.415 -9.793 -4.162 1.00 0.00 H new ATOM 0 HA ALA A 47 1.448 -7.197 -4.526 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.228 -7.002 -6.237 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.804 -7.722 -4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.495 -8.758 -6.127 1.00 0.00 H new ATOM 712 N PRO A 48 0.650 -9.199 -7.128 1.00 0.00 N ATOM 713 CA PRO A 48 -0.297 -9.270 -8.254 1.00 0.00 C ATOM 714 C PRO A 48 -1.751 -9.090 -7.788 1.00 0.00 C ATOM 715 O PRO A 48 -2.586 -8.522 -8.500 1.00 0.00 O ATOM 716 CB PRO A 48 -0.090 -10.681 -8.834 1.00 0.00 C ATOM 717 CG PRO A 48 0.635 -11.439 -7.777 1.00 0.00 C ATOM 718 CD PRO A 48 1.465 -10.435 -7.043 1.00 0.00 C ATOM 0 HA PRO A 48 -0.120 -8.478 -8.982 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.044 -11.152 -9.072 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.487 -10.645 -9.758 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.064 -11.934 -7.103 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.261 -12.217 -8.215 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.638 -10.734 -6.009 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.444 -10.305 -7.505 1.00 0.00 H new ATOM 726 N PHE A 49 -2.027 -9.548 -6.583 1.00 0.00 N ATOM 727 CA PHE A 49 -3.354 -9.441 -5.999 1.00 0.00 C ATOM 728 C PHE A 49 -3.590 -7.990 -5.559 1.00 0.00 C ATOM 729 O PHE A 49 -4.682 -7.446 -5.702 1.00 0.00 O ATOM 730 CB PHE A 49 -3.469 -10.403 -4.803 1.00 0.00 C ATOM 731 CG PHE A 49 -4.847 -10.503 -4.204 1.00 0.00 C ATOM 732 CD1 PHE A 49 -5.268 -9.621 -3.226 1.00 0.00 C ATOM 733 CD2 PHE A 49 -5.713 -11.491 -4.618 1.00 0.00 C ATOM 734 CE1 PHE A 49 -6.527 -9.728 -2.674 1.00 0.00 C ATOM 735 CE2 PHE A 49 -6.973 -11.603 -4.071 1.00 0.00 C ATOM 736 CZ PHE A 49 -7.377 -10.721 -3.099 1.00 0.00 C ATOM 0 H PHE A 49 -1.342 -10.004 -5.981 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.112 -9.715 -6.733 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.154 -11.396 -5.122 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.773 -10.081 -4.028 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.603 -8.839 -2.890 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.400 -12.188 -5.382 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.844 -9.034 -1.910 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.641 -12.383 -4.406 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.364 -10.808 -2.668 1.00 0.00 H new ATOM 746 N PHE A 50 -2.547 -7.382 -5.041 1.00 0.00 N ATOM 747 CA PHE A 50 -2.553 -5.995 -4.600 1.00 0.00 C ATOM 748 C PHE A 50 -2.702 -5.074 -5.831 1.00 0.00 C ATOM 749 O PHE A 50 -3.315 -4.015 -5.769 1.00 0.00 O ATOM 750 CB PHE A 50 -1.252 -5.720 -3.815 1.00 0.00 C ATOM 751 CG PHE A 50 -1.172 -4.405 -3.099 1.00 0.00 C ATOM 752 CD1 PHE A 50 -1.881 -4.200 -1.928 1.00 0.00 C ATOM 753 CD2 PHE A 50 -0.364 -3.388 -3.571 1.00 0.00 C ATOM 754 CE1 PHE A 50 -1.789 -3.007 -1.245 1.00 0.00 C ATOM 755 CE2 PHE A 50 -0.271 -2.191 -2.895 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.984 -1.999 -1.730 1.00 0.00 C ATOM 0 H PHE A 50 -1.647 -7.844 -4.909 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.394 -5.795 -3.937 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.120 -6.517 -3.083 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.414 -5.783 -4.509 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.515 -4.986 -1.545 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.201 -3.533 -4.480 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.347 -2.862 -0.331 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.360 -1.403 -3.277 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.912 -1.061 -1.199 1.00 0.00 H new ATOM 766 N ALA A 51 -2.136 -5.508 -6.948 1.00 0.00 N ATOM 767 CA ALA A 51 -2.271 -4.800 -8.217 1.00 0.00 C ATOM 768 C ALA A 51 -3.696 -4.938 -8.750 1.00 0.00 C ATOM 769 O ALA A 51 -4.223 -4.032 -9.401 1.00 0.00 O ATOM 770 CB ALA A 51 -1.265 -5.323 -9.233 1.00 0.00 C ATOM 0 H ALA A 51 -1.572 -6.356 -7.003 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.065 -3.743 -8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.382 -4.782 -10.172 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.254 -5.176 -8.853 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.438 -6.386 -9.402 1.00 0.00 H new ATOM 776 N ASP A 52 -4.318 -6.066 -8.451 1.00 0.00 N ATOM 777 CA ASP A 52 -5.707 -6.320 -8.844 1.00 0.00 C ATOM 778 C ASP A 52 -6.611 -5.460 -7.990 1.00 0.00 C ATOM 779 O ASP A 52 -7.666 -5.024 -8.407 1.00 0.00 O ATOM 780 CB ASP A 52 -6.052 -7.776 -8.627 1.00 0.00 C ATOM 781 CG ASP A 52 -7.421 -8.156 -9.187 1.00 0.00 C ATOM 782 OD1 ASP A 52 -8.417 -8.063 -8.448 1.00 0.00 O ATOM 783 OD2 ASP A 52 -7.515 -8.575 -10.370 1.00 0.00 O ATOM 0 H ASP A 52 -3.885 -6.830 -7.933 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.838 -6.081 -9.899 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.289 -8.398 -9.095 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.030 -7.994 -7.559 1.00 0.00 H new ATOM 788 N LEU A 53 -6.178 -5.250 -6.777 1.00 0.00 N ATOM 789 CA LEU A 53 -6.832 -4.347 -5.848 1.00 0.00 C ATOM 790 C LEU A 53 -6.793 -2.905 -6.441 1.00 0.00 C ATOM 791 O LEU A 53 -7.772 -2.166 -6.381 1.00 0.00 O ATOM 792 CB LEU A 53 -6.082 -4.391 -4.517 1.00 0.00 C ATOM 793 CG LEU A 53 -6.916 -4.405 -3.248 1.00 0.00 C ATOM 794 CD1 LEU A 53 -6.018 -4.441 -2.020 1.00 0.00 C ATOM 795 CD2 LEU A 53 -7.898 -3.247 -3.173 1.00 0.00 C ATOM 0 H LEU A 53 -5.349 -5.704 -6.393 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.869 -4.641 -5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.450 -5.279 -4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.418 -3.527 -4.475 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.516 -5.314 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.633 -4.451 -1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.400 -5.339 -2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.377 -3.560 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.465 -3.311 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.352 -2.304 -3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.582 -3.295 -4.020 1.00 0.00 H new ATOM 807 N ALA A 54 -5.649 -2.544 -7.033 1.00 0.00 N ATOM 808 CA ALA A 54 -5.468 -1.244 -7.721 1.00 0.00 C ATOM 809 C ALA A 54 -6.378 -1.161 -8.950 1.00 0.00 C ATOM 810 O ALA A 54 -6.788 -0.097 -9.384 1.00 0.00 O ATOM 811 CB ALA A 54 -4.013 -1.052 -8.119 1.00 0.00 C ATOM 0 H ALA A 54 -4.820 -3.137 -7.053 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.744 -0.445 -7.033 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.897 -0.093 -8.623 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.386 -1.071 -7.227 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.711 -1.854 -8.792 1.00 0.00 H new ATOM 817 N LYS A 55 -6.607 -2.296 -9.527 1.00 0.00 N ATOM 818 CA LYS A 55 -7.524 -2.486 -10.639 1.00 0.00 C ATOM 819 C LYS A 55 -8.989 -2.328 -10.164 1.00 0.00 C ATOM 820 O LYS A 55 -9.877 -1.939 -10.933 1.00 0.00 O ATOM 821 CB LYS A 55 -7.270 -3.895 -11.152 1.00 0.00 C ATOM 822 CG LYS A 55 -8.291 -4.509 -12.066 1.00 0.00 C ATOM 823 CD LYS A 55 -7.920 -5.960 -12.241 1.00 0.00 C ATOM 824 CE LYS A 55 -8.993 -6.766 -12.907 1.00 0.00 C ATOM 825 NZ LYS A 55 -8.612 -8.188 -12.934 1.00 0.00 N ATOM 0 H LYS A 55 -6.149 -3.160 -9.236 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.365 -1.745 -11.423 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.313 -3.892 -11.674 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.159 -4.550 -10.288 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.291 -4.416 -11.643 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.303 -3.997 -13.028 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.006 -6.026 -12.831 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.702 -6.393 -11.265 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.935 -6.644 -12.373 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.153 -6.405 -13.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.459 -8.771 -13.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.932 -8.351 -13.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.176 -8.448 -12.026 1.00 0.00 H new ATOM 839 N LYS A 56 -9.219 -2.622 -8.906 1.00 0.00 N ATOM 840 CA LYS A 56 -10.547 -2.549 -8.326 1.00 0.00 C ATOM 841 C LYS A 56 -10.832 -1.091 -7.930 1.00 0.00 C ATOM 842 O LYS A 56 -11.931 -0.579 -8.151 1.00 0.00 O ATOM 843 CB LYS A 56 -10.617 -3.518 -7.100 1.00 0.00 C ATOM 844 CG LYS A 56 -12.018 -3.867 -6.540 1.00 0.00 C ATOM 845 CD LYS A 56 -12.761 -2.691 -5.914 1.00 0.00 C ATOM 846 CE LYS A 56 -14.121 -3.124 -5.366 1.00 0.00 C ATOM 847 NZ LYS A 56 -15.002 -3.687 -6.421 1.00 0.00 N ATOM 0 H LYS A 56 -8.494 -2.919 -8.253 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.310 -2.859 -9.040 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.126 -4.450 -7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.032 -3.080 -6.292 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.626 -4.276 -7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.911 -4.652 -5.792 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.161 -2.265 -5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.899 -1.907 -6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.974 -3.868 -4.583 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.613 -2.268 -4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -15.971 -3.777 -6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.002 -3.055 -7.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.651 -4.624 -6.703 1.00 0.00 H new ATOM 861 N LEU A 57 -9.833 -0.428 -7.376 1.00 0.00 N ATOM 862 CA LEU A 57 -9.948 0.948 -6.987 1.00 0.00 C ATOM 863 C LEU A 57 -9.049 1.838 -7.837 1.00 0.00 C ATOM 864 O LEU A 57 -7.862 1.980 -7.568 1.00 0.00 O ATOM 865 CB LEU A 57 -9.656 1.099 -5.517 1.00 0.00 C ATOM 866 CG LEU A 57 -10.682 0.471 -4.590 1.00 0.00 C ATOM 867 CD1 LEU A 57 -10.193 0.502 -3.159 1.00 0.00 C ATOM 868 CD2 LEU A 57 -12.017 1.206 -4.698 1.00 0.00 C ATOM 0 H LEU A 57 -8.919 -0.839 -7.186 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.973 1.274 -7.161 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.682 0.657 -5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.581 2.161 -5.284 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.824 -0.567 -4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.941 0.048 -2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.259 -0.055 -3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.026 1.535 -2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.742 0.744 -4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.880 2.251 -4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.382 1.148 -5.723 1.00 0.00 H new ATOM 880 N PRO A 58 -9.627 2.449 -8.877 1.00 0.00 N ATOM 881 CA PRO A 58 -8.883 3.227 -9.876 1.00 0.00 C ATOM 882 C PRO A 58 -8.151 4.463 -9.331 1.00 0.00 C ATOM 883 O PRO A 58 -6.965 4.669 -9.619 1.00 0.00 O ATOM 884 CB PRO A 58 -9.961 3.644 -10.889 1.00 0.00 C ATOM 885 CG PRO A 58 -11.246 3.549 -10.142 1.00 0.00 C ATOM 886 CD PRO A 58 -11.072 2.418 -9.177 1.00 0.00 C ATOM 0 HA PRO A 58 -8.075 2.624 -10.291 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.790 4.657 -11.254 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.960 2.988 -11.759 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.464 4.480 -9.619 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.079 3.361 -10.819 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.673 2.559 -8.279 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.372 1.466 -9.614 1.00 0.00 H new ATOM 894 N ASN A 59 -8.842 5.280 -8.553 1.00 0.00 N ATOM 895 CA ASN A 59 -8.282 6.528 -8.070 1.00 0.00 C ATOM 896 C ASN A 59 -7.625 6.397 -6.713 1.00 0.00 C ATOM 897 O ASN A 59 -7.268 7.399 -6.092 1.00 0.00 O ATOM 898 CB ASN A 59 -9.336 7.628 -8.034 1.00 0.00 C ATOM 899 CG ASN A 59 -9.779 8.132 -9.402 1.00 0.00 C ATOM 900 OD1 ASN A 59 -9.798 7.390 -10.390 1.00 0.00 O ATOM 901 ND2 ASN A 59 -10.135 9.392 -9.470 1.00 0.00 N ATOM 0 H ASN A 59 -9.796 5.098 -8.242 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.502 6.801 -8.781 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.210 7.257 -7.498 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.944 8.469 -7.462 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.440 9.789 -10.359 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.107 9.976 -8.634 1.00 0.00 H new ATOM 908 N VAL A 60 -7.443 5.199 -6.264 1.00 0.00 N ATOM 909 CA VAL A 60 -6.792 4.957 -4.999 1.00 0.00 C ATOM 910 C VAL A 60 -5.341 4.604 -5.262 1.00 0.00 C ATOM 911 O VAL A 60 -5.049 3.837 -6.172 1.00 0.00 O ATOM 912 CB VAL A 60 -7.505 3.835 -4.197 1.00 0.00 C ATOM 913 CG1 VAL A 60 -6.760 3.519 -2.910 1.00 0.00 C ATOM 914 CG2 VAL A 60 -8.938 4.250 -3.882 1.00 0.00 C ATOM 0 H VAL A 60 -7.737 4.355 -6.755 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.845 5.858 -4.389 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.516 2.934 -4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.284 2.730 -2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.749 3.187 -3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.712 4.413 -2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.431 3.457 -3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.930 5.165 -3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.479 4.425 -4.812 1.00 0.00 H new ATOM 924 N LEU A 61 -4.438 5.187 -4.508 1.00 0.00 N ATOM 925 CA LEU A 61 -3.039 4.949 -4.700 1.00 0.00 C ATOM 926 C LEU A 61 -2.572 3.776 -3.891 1.00 0.00 C ATOM 927 O LEU A 61 -2.717 3.752 -2.671 1.00 0.00 O ATOM 928 CB LEU A 61 -2.199 6.186 -4.335 1.00 0.00 C ATOM 929 CG LEU A 61 -2.197 7.385 -5.302 1.00 0.00 C ATOM 930 CD1 LEU A 61 -1.726 6.975 -6.683 1.00 0.00 C ATOM 931 CD2 LEU A 61 -3.543 8.060 -5.369 1.00 0.00 C ATOM 0 H LEU A 61 -4.657 5.834 -3.751 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.900 4.731 -5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.541 6.544 -3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.167 5.860 -4.209 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.490 8.113 -4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.735 7.842 -7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.713 6.579 -6.619 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.391 6.209 -7.081 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.495 8.899 -6.063 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.291 7.346 -5.714 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.818 8.423 -4.379 1.00 0.00 H new ATOM 943 N PHE A 62 -2.036 2.809 -4.567 1.00 0.00 N ATOM 944 CA PHE A 62 -1.462 1.665 -3.931 1.00 0.00 C ATOM 945 C PHE A 62 0.012 1.690 -4.178 1.00 0.00 C ATOM 946 O PHE A 62 0.463 1.923 -5.302 1.00 0.00 O ATOM 947 CB PHE A 62 -2.043 0.373 -4.461 1.00 0.00 C ATOM 948 CG PHE A 62 -3.528 0.228 -4.253 1.00 0.00 C ATOM 949 CD1 PHE A 62 -4.429 0.803 -5.130 1.00 0.00 C ATOM 950 CD2 PHE A 62 -4.016 -0.482 -3.174 1.00 0.00 C ATOM 951 CE1 PHE A 62 -5.785 0.673 -4.933 1.00 0.00 C ATOM 952 CE2 PHE A 62 -5.368 -0.616 -2.972 1.00 0.00 C ATOM 953 CZ PHE A 62 -6.255 -0.039 -3.853 1.00 0.00 C ATOM 0 H PHE A 62 -1.984 2.791 -5.586 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.684 1.706 -2.865 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.829 0.303 -5.528 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.537 -0.464 -3.979 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.064 1.361 -5.980 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.326 -0.938 -2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.479 1.129 -5.624 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.735 -1.173 -2.123 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.318 -0.145 -3.697 1.00 0.00 H new ATOM 963 N LEU A 63 0.747 1.476 -3.154 1.00 0.00 N ATOM 964 CA LEU A 63 2.177 1.533 -3.207 1.00 0.00 C ATOM 965 C LEU A 63 2.795 0.267 -2.686 1.00 0.00 C ATOM 966 O LEU A 63 2.366 -0.269 -1.670 1.00 0.00 O ATOM 967 CB LEU A 63 2.746 2.734 -2.425 1.00 0.00 C ATOM 968 CG LEU A 63 2.516 4.158 -2.990 1.00 0.00 C ATOM 969 CD1 LEU A 63 1.059 4.583 -2.946 1.00 0.00 C ATOM 970 CD2 LEU A 63 3.383 5.159 -2.261 1.00 0.00 C ATOM 0 H LEU A 63 0.375 1.251 -2.231 1.00 0.00 H new ATOM 0 HA LEU A 63 2.434 1.656 -4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.326 2.704 -1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.821 2.586 -2.326 1.00 0.00 H new ATOM 0 HG LEU A 63 2.801 4.131 -4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.961 5.589 -3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.460 3.891 -3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.709 4.575 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.211 6.155 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.132 5.153 -1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.432 4.892 -2.387 1.00 0.00 H new ATOM 982 N LYS A 64 3.791 -0.205 -3.383 1.00 0.00 N ATOM 983 CA LYS A 64 4.517 -1.374 -2.981 1.00 0.00 C ATOM 984 C LYS A 64 5.878 -0.884 -2.532 1.00 0.00 C ATOM 985 O LYS A 64 6.661 -0.355 -3.340 1.00 0.00 O ATOM 986 CB LYS A 64 4.665 -2.321 -4.189 1.00 0.00 C ATOM 987 CG LYS A 64 5.200 -3.717 -3.873 1.00 0.00 C ATOM 988 CD LYS A 64 4.236 -4.491 -2.974 1.00 0.00 C ATOM 989 CE LYS A 64 4.723 -5.908 -2.726 1.00 0.00 C ATOM 990 NZ LYS A 64 3.841 -6.660 -1.798 1.00 0.00 N ATOM 0 H LYS A 64 4.123 0.215 -4.251 1.00 0.00 H new ATOM 0 HA LYS A 64 4.010 -1.919 -2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.691 -2.425 -4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.329 -1.853 -4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.357 -4.267 -4.801 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.170 -3.635 -3.383 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.127 -3.971 -2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.249 -4.520 -3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.782 -6.439 -3.676 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.732 -5.875 -2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.037 -7.678 -1.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.021 -6.352 -0.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.846 -6.478 -2.040 1.00 0.00 H new ATOM 1004 N VAL A 65 6.165 -1.027 -1.277 1.00 0.00 N ATOM 1005 CA VAL A 65 7.387 -0.513 -0.738 1.00 0.00 C ATOM 1006 C VAL A 65 8.192 -1.609 -0.112 1.00 0.00 C ATOM 1007 O VAL A 65 7.767 -2.253 0.844 1.00 0.00 O ATOM 1008 CB VAL A 65 7.132 0.618 0.302 1.00 0.00 C ATOM 1009 CG1 VAL A 65 8.447 1.149 0.873 1.00 0.00 C ATOM 1010 CG2 VAL A 65 6.344 1.755 -0.332 1.00 0.00 C ATOM 0 H VAL A 65 5.565 -1.499 -0.600 1.00 0.00 H new ATOM 0 HA VAL A 65 7.949 -0.086 -1.568 1.00 0.00 H new ATOM 0 HB VAL A 65 6.550 0.194 1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.238 1.937 1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.984 0.338 1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.059 1.551 0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.174 2.537 0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.907 2.165 -1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.385 1.379 -0.689 1.00 0.00 H new ATOM 1020 N ASP A 66 9.340 -1.828 -0.662 1.00 0.00 N ATOM 1021 CA ASP A 66 10.254 -2.787 -0.135 1.00 0.00 C ATOM 1022 C ASP A 66 11.002 -2.127 1.002 1.00 0.00 C ATOM 1023 O ASP A 66 11.629 -1.072 0.820 1.00 0.00 O ATOM 1024 CB ASP A 66 11.199 -3.236 -1.219 1.00 0.00 C ATOM 1025 CG ASP A 66 12.143 -4.323 -0.782 1.00 0.00 C ATOM 1026 OD1 ASP A 66 13.145 -4.011 -0.127 1.00 0.00 O ATOM 1027 OD2 ASP A 66 11.900 -5.508 -1.130 1.00 0.00 O ATOM 0 H ASP A 66 9.673 -1.343 -1.496 1.00 0.00 H new ATOM 0 HA ASP A 66 9.731 -3.670 0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.619 -3.591 -2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.779 -2.379 -1.562 1.00 0.00 H new ATOM 1032 N THR A 67 10.920 -2.711 2.161 1.00 0.00 N ATOM 1033 CA THR A 67 11.482 -2.133 3.359 1.00 0.00 C ATOM 1034 C THR A 67 13.010 -2.197 3.402 1.00 0.00 C ATOM 1035 O THR A 67 13.615 -1.611 4.281 1.00 0.00 O ATOM 1036 CB THR A 67 10.863 -2.737 4.643 1.00 0.00 C ATOM 1037 OG1 THR A 67 11.388 -2.094 5.813 1.00 0.00 O ATOM 1038 CG2 THR A 67 11.145 -4.211 4.720 1.00 0.00 C ATOM 0 H THR A 67 10.459 -3.609 2.309 1.00 0.00 H new ATOM 0 HA THR A 67 11.216 -1.077 3.324 1.00 0.00 H new ATOM 0 HB THR A 67 9.786 -2.576 4.601 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.220 -1.630 5.585 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.703 -4.619 5.629 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.715 -4.710 3.851 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.222 -4.375 4.736 1.00 0.00 H new ATOM 1046 N ASP A 68 13.629 -2.919 2.494 1.00 0.00 N ATOM 1047 CA ASP A 68 15.088 -2.949 2.471 1.00 0.00 C ATOM 1048 C ASP A 68 15.573 -1.692 1.811 1.00 0.00 C ATOM 1049 O ASP A 68 16.576 -1.096 2.213 1.00 0.00 O ATOM 1050 CB ASP A 68 15.610 -4.148 1.707 1.00 0.00 C ATOM 1051 CG ASP A 68 17.122 -4.252 1.756 1.00 0.00 C ATOM 1052 OD1 ASP A 68 17.646 -4.842 2.722 1.00 0.00 O ATOM 1053 OD2 ASP A 68 17.816 -3.751 0.825 1.00 0.00 O ATOM 0 H ASP A 68 13.168 -3.481 1.778 1.00 0.00 H new ATOM 0 HA ASP A 68 15.454 -3.023 3.495 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.173 -5.057 2.120 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.287 -4.082 0.668 1.00 0.00 H new ATOM 1058 N GLU A 69 14.834 -1.295 0.796 1.00 0.00 N ATOM 1059 CA GLU A 69 15.077 -0.095 0.052 1.00 0.00 C ATOM 1060 C GLU A 69 15.005 1.109 0.978 1.00 0.00 C ATOM 1061 O GLU A 69 15.999 1.792 1.215 1.00 0.00 O ATOM 1062 CB GLU A 69 14.013 0.018 -1.018 1.00 0.00 C ATOM 1063 CG GLU A 69 13.958 -1.156 -1.976 1.00 0.00 C ATOM 1064 CD GLU A 69 15.207 -1.328 -2.790 1.00 0.00 C ATOM 1065 OE1 GLU A 69 16.231 -1.811 -2.256 1.00 0.00 O ATOM 1066 OE2 GLU A 69 15.175 -1.024 -3.991 1.00 0.00 O ATOM 0 H GLU A 69 14.026 -1.820 0.463 1.00 0.00 H new ATOM 0 HA GLU A 69 16.068 -0.126 -0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.041 0.124 -0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 69 14.186 0.930 -1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.776 -2.069 -1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.111 -1.025 -2.649 1.00 0.00 H new ATOM 1073 N LEU A 70 13.834 1.338 1.524 1.00 0.00 N ATOM 1074 CA LEU A 70 13.590 2.399 2.443 1.00 0.00 C ATOM 1075 C LEU A 70 13.678 1.855 3.866 1.00 0.00 C ATOM 1076 O LEU A 70 12.739 1.973 4.641 1.00 0.00 O ATOM 1077 CB LEU A 70 12.194 2.983 2.191 1.00 0.00 C ATOM 1078 CG LEU A 70 11.972 3.849 0.927 1.00 0.00 C ATOM 1079 CD1 LEU A 70 12.108 3.055 -0.362 1.00 0.00 C ATOM 1080 CD2 LEU A 70 10.620 4.525 0.989 1.00 0.00 C ATOM 0 H LEU A 70 13.009 0.770 1.329 1.00 0.00 H new ATOM 0 HA LEU A 70 14.333 3.185 2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.489 2.152 2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.926 3.587 3.058 1.00 0.00 H new ATOM 0 HG LEU A 70 12.758 4.604 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.942 3.714 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.109 2.628 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.370 2.253 -0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.475 5.131 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.837 3.769 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.572 5.163 1.872 1.00 0.00 H new ATOM 1092 N LYS A 71 14.827 1.287 4.197 1.00 0.00 N ATOM 1093 CA LYS A 71 15.040 0.584 5.466 1.00 0.00 C ATOM 1094 C LYS A 71 14.792 1.534 6.663 1.00 0.00 C ATOM 1095 O LYS A 71 13.967 1.248 7.526 1.00 0.00 O ATOM 1096 CB LYS A 71 16.497 0.024 5.445 1.00 0.00 C ATOM 1097 CG LYS A 71 16.885 -1.210 6.336 1.00 0.00 C ATOM 1098 CD LYS A 71 16.865 -0.991 7.856 1.00 0.00 C ATOM 1099 CE LYS A 71 15.477 -1.057 8.453 1.00 0.00 C ATOM 1100 NZ LYS A 71 15.486 -0.767 9.896 1.00 0.00 N ATOM 0 H LYS A 71 15.648 1.297 3.592 1.00 0.00 H new ATOM 0 HA LYS A 71 14.336 -0.240 5.585 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.727 -0.239 4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 71 17.161 0.843 5.721 1.00 0.00 H new ATOM 0 HG2 LYS A 71 16.205 -2.028 6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 71 17.886 -1.535 6.051 1.00 0.00 H new ATOM 0 HD2 LYS A 71 17.494 -1.743 8.332 1.00 0.00 H new ATOM 0 HD3 LYS A 71 17.304 -0.019 8.082 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.828 -0.344 7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 71 15.056 -2.048 8.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.596 -0.298 10.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.582 -1.655 10.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.287 -0.142 10.119 1.00 0.00 H new ATOM 1114 N SER A 72 15.413 2.682 6.662 1.00 0.00 N ATOM 1115 CA SER A 72 15.265 3.592 7.778 1.00 0.00 C ATOM 1116 C SER A 72 13.938 4.338 7.728 1.00 0.00 C ATOM 1117 O SER A 72 13.319 4.590 8.767 1.00 0.00 O ATOM 1118 CB SER A 72 16.447 4.546 7.867 1.00 0.00 C ATOM 1119 OG SER A 72 17.671 3.826 8.078 1.00 0.00 O ATOM 0 H SER A 72 16.021 3.012 5.913 1.00 0.00 H new ATOM 0 HA SER A 72 15.255 2.995 8.690 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.518 5.131 6.950 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.290 5.251 8.683 1.00 0.00 H new ATOM 0 HG SER A 72 18.418 4.459 8.130 1.00 0.00 H new ATOM 1125 N VAL A 73 13.481 4.654 6.531 1.00 0.00 N ATOM 1126 CA VAL A 73 12.229 5.374 6.377 1.00 0.00 C ATOM 1127 C VAL A 73 11.039 4.516 6.814 1.00 0.00 C ATOM 1128 O VAL A 73 10.162 4.991 7.529 1.00 0.00 O ATOM 1129 CB VAL A 73 12.035 5.909 4.938 1.00 0.00 C ATOM 1130 CG1 VAL A 73 10.704 6.635 4.795 1.00 0.00 C ATOM 1131 CG2 VAL A 73 13.174 6.845 4.578 1.00 0.00 C ATOM 0 H VAL A 73 13.953 4.426 5.656 1.00 0.00 H new ATOM 0 HA VAL A 73 12.279 6.242 7.035 1.00 0.00 H new ATOM 0 HB VAL A 73 12.033 5.058 4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.596 6.999 3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.889 5.948 5.023 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.673 7.477 5.486 1.00 0.00 H new ATOM 0 HG21 VAL A 73 13.032 7.218 3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 73 13.190 7.683 5.274 1.00 0.00 H new ATOM 0 HG23 VAL A 73 14.120 6.307 4.637 1.00 0.00 H new ATOM 1141 N ALA A 74 11.035 3.247 6.422 1.00 0.00 N ATOM 1142 CA ALA A 74 9.964 2.342 6.809 1.00 0.00 C ATOM 1143 C ALA A 74 9.935 2.167 8.324 1.00 0.00 C ATOM 1144 O ALA A 74 8.872 2.191 8.940 1.00 0.00 O ATOM 1145 CB ALA A 74 10.101 1.001 6.105 1.00 0.00 C ATOM 0 H ALA A 74 11.758 2.825 5.840 1.00 0.00 H new ATOM 0 HA ALA A 74 9.016 2.782 6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.288 0.344 6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.059 1.150 5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.055 0.546 6.371 1.00 0.00 H new ATOM 1151 N SER A 75 11.104 2.032 8.927 1.00 0.00 N ATOM 1152 CA SER A 75 11.204 1.896 10.363 1.00 0.00 C ATOM 1153 C SER A 75 10.713 3.160 11.104 1.00 0.00 C ATOM 1154 O SER A 75 10.208 3.072 12.228 1.00 0.00 O ATOM 1155 CB SER A 75 12.604 1.481 10.764 1.00 0.00 C ATOM 1156 OG SER A 75 12.913 0.215 10.178 1.00 0.00 O ATOM 0 H SER A 75 11.999 2.014 8.438 1.00 0.00 H new ATOM 0 HA SER A 75 10.531 1.097 10.675 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.325 2.231 10.437 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.679 1.419 11.850 1.00 0.00 H new ATOM 0 HG SER A 75 12.087 -0.298 10.052 1.00 0.00 H new ATOM 1162 N ASP A 76 10.848 4.327 10.468 1.00 0.00 N ATOM 1163 CA ASP A 76 10.333 5.588 11.044 1.00 0.00 C ATOM 1164 C ASP A 76 8.801 5.543 11.120 1.00 0.00 C ATOM 1165 O ASP A 76 8.182 6.204 11.938 1.00 0.00 O ATOM 1166 CB ASP A 76 10.787 6.802 10.225 1.00 0.00 C ATOM 1167 CG ASP A 76 10.361 8.123 10.845 1.00 0.00 C ATOM 1168 OD1 ASP A 76 11.076 8.623 11.728 1.00 0.00 O ATOM 1169 OD2 ASP A 76 9.312 8.680 10.457 1.00 0.00 O ATOM 0 H ASP A 76 11.304 4.433 9.562 1.00 0.00 H new ATOM 0 HA ASP A 76 10.740 5.692 12.050 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.873 6.784 10.129 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.376 6.729 9.218 1.00 0.00 H new ATOM 1174 N TRP A 77 8.214 4.733 10.261 1.00 0.00 N ATOM 1175 CA TRP A 77 6.783 4.493 10.229 1.00 0.00 C ATOM 1176 C TRP A 77 6.414 3.286 11.085 1.00 0.00 C ATOM 1177 O TRP A 77 5.280 2.786 11.023 1.00 0.00 O ATOM 1178 CB TRP A 77 6.295 4.316 8.797 1.00 0.00 C ATOM 1179 CG TRP A 77 6.307 5.585 8.004 1.00 0.00 C ATOM 1180 CD1 TRP A 77 7.395 6.257 7.536 1.00 0.00 C ATOM 1181 CD2 TRP A 77 5.165 6.326 7.574 1.00 0.00 C ATOM 1182 NE1 TRP A 77 7.000 7.385 6.874 1.00 0.00 N ATOM 1183 CE2 TRP A 77 5.632 7.444 6.871 1.00 0.00 C ATOM 1184 CE3 TRP A 77 3.789 6.149 7.723 1.00 0.00 C ATOM 1185 CZ2 TRP A 77 4.774 8.386 6.314 1.00 0.00 C ATOM 1186 CZ3 TRP A 77 2.936 7.082 7.171 1.00 0.00 C ATOM 1187 CH2 TRP A 77 3.430 8.187 6.474 1.00 0.00 C ATOM 0 H TRP A 77 8.728 4.212 9.551 1.00 0.00 H new ATOM 0 HA TRP A 77 6.284 5.367 10.649 1.00 0.00 H new ATOM 0 HB2 TRP A 77 6.921 3.577 8.296 1.00 0.00 H new ATOM 0 HB3 TRP A 77 5.281 3.916 8.813 1.00 0.00 H new ATOM 0 HD1 TRP A 77 8.420 5.944 7.669 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.623 8.072 6.450 1.00 0.00 H new ATOM 0 HE3 TRP A 77 3.399 5.297 8.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 5.154 9.242 5.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.869 6.956 7.280 1.00 0.00 H new ATOM 0 HH2 TRP A 77 2.736 8.899 6.052 1.00 0.00 H new ATOM 1198 N ALA A 78 7.400 2.827 11.874 1.00 0.00 N ATOM 1199 CA ALA A 78 7.286 1.688 12.798 1.00 0.00 C ATOM 1200 C ALA A 78 7.233 0.366 12.054 1.00 0.00 C ATOM 1201 O ALA A 78 6.859 -0.659 12.612 1.00 0.00 O ATOM 1202 CB ALA A 78 6.093 1.848 13.748 1.00 0.00 C ATOM 0 H ALA A 78 8.327 3.252 11.886 1.00 0.00 H new ATOM 0 HA ALA A 78 8.188 1.679 13.410 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.041 0.988 14.415 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.216 2.757 14.337 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.172 1.913 13.168 1.00 0.00 H new ATOM 1208 N ILE A 79 7.657 0.378 10.809 1.00 0.00 N ATOM 1209 CA ILE A 79 7.639 -0.814 10.002 1.00 0.00 C ATOM 1210 C ILE A 79 8.894 -1.649 10.223 1.00 0.00 C ATOM 1211 O ILE A 79 10.024 -1.208 9.954 1.00 0.00 O ATOM 1212 CB ILE A 79 7.475 -0.499 8.496 1.00 0.00 C ATOM 1213 CG1 ILE A 79 6.198 0.325 8.252 1.00 0.00 C ATOM 1214 CG2 ILE A 79 7.465 -1.781 7.662 1.00 0.00 C ATOM 1215 CD1 ILE A 79 4.923 -0.344 8.713 1.00 0.00 C ATOM 0 H ILE A 79 8.019 1.206 10.336 1.00 0.00 H new ATOM 0 HA ILE A 79 6.770 -1.389 10.321 1.00 0.00 H new ATOM 0 HB ILE A 79 8.332 0.095 8.180 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.296 1.283 8.763 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.117 0.539 7.186 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.348 -1.529 6.608 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.404 -2.316 7.805 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.635 -2.414 7.977 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.074 0.306 8.502 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.796 -1.289 8.184 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.978 -0.533 9.785 1.00 0.00 H new ATOM 1227 N GLN A 80 8.677 -2.824 10.744 1.00 0.00 N ATOM 1228 CA GLN A 80 9.713 -3.800 10.962 1.00 0.00 C ATOM 1229 C GLN A 80 9.096 -5.199 10.827 1.00 0.00 C ATOM 1230 O GLN A 80 9.766 -6.169 10.445 1.00 0.00 O ATOM 1231 CB GLN A 80 10.350 -3.589 12.337 1.00 0.00 C ATOM 1232 CG GLN A 80 11.442 -4.574 12.685 1.00 0.00 C ATOM 1233 CD GLN A 80 12.047 -4.297 14.035 1.00 0.00 C ATOM 1234 OE1 GLN A 80 13.027 -3.556 14.151 1.00 0.00 O ATOM 1235 NE2 GLN A 80 11.476 -4.869 15.059 1.00 0.00 N ATOM 0 H GLN A 80 7.752 -3.139 11.037 1.00 0.00 H new ATOM 0 HA GLN A 80 10.505 -3.692 10.221 1.00 0.00 H new ATOM 0 HB2 GLN A 80 10.762 -2.581 12.381 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.570 -3.648 13.096 1.00 0.00 H new ATOM 0 HG2 GLN A 80 11.035 -5.585 12.671 1.00 0.00 H new ATOM 0 HG3 GLN A 80 12.221 -4.534 11.924 1.00 0.00 H new ATOM 0 HE21 GLN A 80 10.667 -5.475 14.919 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.838 -4.710 15.999 1.00 0.00 H new ATOM 1244 N ALA A 81 7.810 -5.288 11.133 1.00 0.00 N ATOM 1245 CA ALA A 81 7.060 -6.503 10.946 1.00 0.00 C ATOM 1246 C ALA A 81 6.603 -6.560 9.498 1.00 0.00 C ATOM 1247 O ALA A 81 5.906 -5.665 9.021 1.00 0.00 O ATOM 1248 CB ALA A 81 5.872 -6.543 11.891 1.00 0.00 C ATOM 0 H ALA A 81 7.265 -4.516 11.517 1.00 0.00 H new ATOM 0 HA ALA A 81 7.684 -7.368 11.169 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.316 -7.468 11.737 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.225 -6.499 12.921 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.221 -5.691 11.694 1.00 0.00 H new ATOM 1254 N MET A 82 7.010 -7.581 8.800 1.00 0.00 N ATOM 1255 CA MET A 82 6.754 -7.673 7.385 1.00 0.00 C ATOM 1256 C MET A 82 5.933 -8.908 7.098 1.00 0.00 C ATOM 1257 O MET A 82 6.150 -9.943 7.720 1.00 0.00 O ATOM 1258 CB MET A 82 8.092 -7.771 6.664 1.00 0.00 C ATOM 1259 CG MET A 82 9.035 -6.631 7.001 1.00 0.00 C ATOM 1260 SD MET A 82 10.714 -6.903 6.435 1.00 0.00 S ATOM 1261 CE MET A 82 11.181 -8.302 7.432 1.00 0.00 C ATOM 0 H MET A 82 7.526 -8.370 9.189 1.00 0.00 H new ATOM 0 HA MET A 82 6.204 -6.796 7.043 1.00 0.00 H new ATOM 0 HB2 MET A 82 8.568 -8.717 6.922 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.918 -7.785 5.588 1.00 0.00 H new ATOM 0 HG2 MET A 82 8.654 -5.711 6.557 1.00 0.00 H new ATOM 0 HG3 MET A 82 9.043 -6.484 8.081 1.00 0.00 H new ATOM 0 HE1 MET A 82 12.268 -8.385 7.456 1.00 0.00 H new ATOM 0 HE2 MET A 82 10.804 -8.168 8.446 1.00 0.00 H new ATOM 0 HE3 MET A 82 10.757 -9.211 7.005 1.00 0.00 H new ATOM 1271 N PRO A 83 4.971 -8.831 6.176 1.00 0.00 N ATOM 1272 CA PRO A 83 4.636 -7.608 5.456 1.00 0.00 C ATOM 1273 C PRO A 83 3.553 -6.796 6.176 1.00 0.00 C ATOM 1274 O PRO A 83 2.746 -7.343 6.944 1.00 0.00 O ATOM 1275 CB PRO A 83 4.095 -8.145 4.134 1.00 0.00 C ATOM 1276 CG PRO A 83 3.477 -9.462 4.475 1.00 0.00 C ATOM 1277 CD PRO A 83 4.141 -9.956 5.743 1.00 0.00 C ATOM 0 HA PRO A 83 5.486 -6.932 5.357 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.361 -7.465 3.703 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.892 -8.261 3.400 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.402 -9.356 4.620 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.620 -10.175 3.663 1.00 0.00 H new ATOM 0 HD2 PRO A 83 3.404 -10.222 6.501 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.742 -10.846 5.557 1.00 0.00 H new ATOM 1285 N THR A 84 3.545 -5.518 5.946 1.00 0.00 N ATOM 1286 CA THR A 84 2.551 -4.659 6.513 1.00 0.00 C ATOM 1287 C THR A 84 1.718 -4.010 5.434 1.00 0.00 C ATOM 1288 O THR A 84 2.248 -3.426 4.503 1.00 0.00 O ATOM 1289 CB THR A 84 3.160 -3.565 7.410 1.00 0.00 C ATOM 1290 OG1 THR A 84 3.753 -4.127 8.595 1.00 0.00 O ATOM 1291 CG2 THR A 84 2.131 -2.511 7.809 1.00 0.00 C ATOM 0 H THR A 84 4.229 -5.041 5.359 1.00 0.00 H new ATOM 0 HA THR A 84 1.918 -5.293 7.134 1.00 0.00 H new ATOM 0 HB THR A 84 3.936 -3.081 6.817 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.539 -4.658 8.347 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.605 -1.760 8.441 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.734 -2.033 6.914 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.318 -2.986 8.358 1.00 0.00 H new ATOM 1299 N PHE A 85 0.433 -4.118 5.569 1.00 0.00 N ATOM 1300 CA PHE A 85 -0.472 -3.469 4.718 1.00 0.00 C ATOM 1301 C PHE A 85 -1.009 -2.321 5.515 1.00 0.00 C ATOM 1302 O PHE A 85 -1.554 -2.512 6.607 1.00 0.00 O ATOM 1303 CB PHE A 85 -1.612 -4.412 4.366 1.00 0.00 C ATOM 1304 CG PHE A 85 -1.185 -5.676 3.689 1.00 0.00 C ATOM 1305 CD1 PHE A 85 -0.813 -6.781 4.434 1.00 0.00 C ATOM 1306 CD2 PHE A 85 -1.157 -5.760 2.308 1.00 0.00 C ATOM 1307 CE1 PHE A 85 -0.420 -7.943 3.818 1.00 0.00 C ATOM 1308 CE2 PHE A 85 -0.765 -6.925 1.687 1.00 0.00 C ATOM 1309 CZ PHE A 85 -0.397 -8.017 2.444 1.00 0.00 C ATOM 0 H PHE A 85 -0.011 -4.678 6.297 1.00 0.00 H new ATOM 0 HA PHE A 85 0.001 -3.146 3.790 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.150 -4.668 5.279 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.314 -3.887 3.718 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.832 -6.729 5.513 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.445 -4.906 1.713 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.129 -8.798 4.411 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.746 -6.983 0.609 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.090 -8.931 1.958 1.00 0.00 H new ATOM 1319 N MET A 86 -0.828 -1.154 5.031 1.00 0.00 N ATOM 1320 CA MET A 86 -1.254 0.003 5.741 1.00 0.00 C ATOM 1321 C MET A 86 -2.208 0.781 4.895 1.00 0.00 C ATOM 1322 O MET A 86 -1.885 1.196 3.780 1.00 0.00 O ATOM 1323 CB MET A 86 -0.039 0.826 6.132 1.00 0.00 C ATOM 1324 CG MET A 86 -0.321 2.072 6.939 1.00 0.00 C ATOM 1325 SD MET A 86 1.203 2.918 7.386 1.00 0.00 S ATOM 1326 CE MET A 86 0.565 4.307 8.287 1.00 0.00 C ATOM 0 H MET A 86 -0.382 -0.965 4.133 1.00 0.00 H new ATOM 0 HA MET A 86 -1.776 -0.279 6.656 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.638 0.191 6.704 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.488 1.116 5.223 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.958 2.744 6.364 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.871 1.807 7.842 1.00 0.00 H new ATOM 0 HE1 MET A 86 1.378 4.798 8.823 1.00 0.00 H new ATOM 0 HE2 MET A 86 0.110 5.013 7.593 1.00 0.00 H new ATOM 0 HE3 MET A 86 -0.185 3.965 9.000 1.00 0.00 H new ATOM 1336 N PHE A 87 -3.366 0.968 5.415 1.00 0.00 N ATOM 1337 CA PHE A 87 -4.411 1.609 4.747 1.00 0.00 C ATOM 1338 C PHE A 87 -4.667 2.952 5.367 1.00 0.00 C ATOM 1339 O PHE A 87 -5.012 3.054 6.562 1.00 0.00 O ATOM 1340 CB PHE A 87 -5.653 0.755 4.865 1.00 0.00 C ATOM 1341 CG PHE A 87 -5.599 -0.575 4.151 1.00 0.00 C ATOM 1342 CD1 PHE A 87 -4.920 -1.653 4.699 1.00 0.00 C ATOM 1343 CD2 PHE A 87 -6.238 -0.743 2.936 1.00 0.00 C ATOM 1344 CE1 PHE A 87 -4.877 -2.868 4.045 1.00 0.00 C ATOM 1345 CE2 PHE A 87 -6.200 -1.957 2.277 1.00 0.00 C ATOM 1346 CZ PHE A 87 -5.518 -3.019 2.833 1.00 0.00 C ATOM 0 H PHE A 87 -3.610 0.662 6.357 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.148 1.749 3.699 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.848 0.572 5.922 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.500 1.321 4.478 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.419 -1.541 5.649 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.774 0.085 2.497 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.342 -3.699 4.482 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.703 -2.074 1.329 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.486 -3.969 2.320 1.00 0.00 H new ATOM 1356 N LEU A 88 -4.490 3.975 4.606 1.00 0.00 N ATOM 1357 CA LEU A 88 -4.766 5.286 5.088 1.00 0.00 C ATOM 1358 C LEU A 88 -5.853 5.874 4.215 1.00 0.00 C ATOM 1359 O LEU A 88 -6.106 5.385 3.126 1.00 0.00 O ATOM 1360 CB LEU A 88 -3.535 6.244 5.023 1.00 0.00 C ATOM 1361 CG LEU A 88 -2.213 5.838 5.705 1.00 0.00 C ATOM 1362 CD1 LEU A 88 -1.502 4.737 4.935 1.00 0.00 C ATOM 1363 CD2 LEU A 88 -1.309 7.052 5.866 1.00 0.00 C ATOM 0 H LEU A 88 -4.154 3.931 3.644 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.055 5.197 6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.317 6.422 3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.842 7.198 5.451 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.452 5.444 6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.575 4.477 5.445 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.145 3.858 4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.276 5.085 3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.379 6.752 6.349 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.089 7.474 4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.811 7.801 6.479 1.00 0.00 H new ATOM 1375 N LYS A 89 -6.459 6.910 4.666 1.00 0.00 N ATOM 1376 CA LYS A 89 -7.453 7.586 3.909 1.00 0.00 C ATOM 1377 C LYS A 89 -7.195 9.040 3.949 1.00 0.00 C ATOM 1378 O LYS A 89 -7.174 9.647 5.021 1.00 0.00 O ATOM 1379 CB LYS A 89 -8.839 7.263 4.425 1.00 0.00 C ATOM 1380 CG LYS A 89 -9.979 8.038 3.779 1.00 0.00 C ATOM 1381 CD LYS A 89 -11.315 7.546 4.302 1.00 0.00 C ATOM 1382 CE LYS A 89 -12.485 8.351 3.758 1.00 0.00 C ATOM 1383 NZ LYS A 89 -12.506 9.748 4.271 1.00 0.00 N ATOM 0 H LYS A 89 -6.278 7.320 5.582 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.406 7.247 2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.021 6.198 4.282 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.860 7.449 5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.869 9.102 3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.939 7.921 2.696 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.443 6.498 4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.317 7.598 5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.434 8.368 2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.418 7.855 4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.383 10.216 3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.462 9.737 5.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.687 10.268 3.895 1.00 0.00 H new ATOM 1397 N GLU A 90 -6.936 9.578 2.774 1.00 0.00 N ATOM 1398 CA GLU A 90 -6.710 10.986 2.561 1.00 0.00 C ATOM 1399 C GLU A 90 -5.476 11.476 3.351 1.00 0.00 C ATOM 1400 O GLU A 90 -5.342 12.653 3.653 1.00 0.00 O ATOM 1401 CB GLU A 90 -7.977 11.761 2.916 1.00 0.00 C ATOM 1402 CG GLU A 90 -9.212 11.255 2.160 1.00 0.00 C ATOM 1403 CD GLU A 90 -10.488 11.979 2.509 1.00 0.00 C ATOM 1404 OE1 GLU A 90 -10.960 11.845 3.660 1.00 0.00 O ATOM 1405 OE2 GLU A 90 -11.065 12.645 1.631 1.00 0.00 O ATOM 0 H GLU A 90 -6.876 9.027 1.918 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.488 11.165 1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.156 11.685 3.988 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.827 12.817 2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.034 11.351 1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.341 10.193 2.367 1.00 0.00 H new ATOM 1412 N GLY A 91 -4.553 10.552 3.610 1.00 0.00 N ATOM 1413 CA GLY A 91 -3.340 10.856 4.359 1.00 0.00 C ATOM 1414 C GLY A 91 -3.465 10.593 5.859 1.00 0.00 C ATOM 1415 O GLY A 91 -2.490 10.748 6.606 1.00 0.00 O ATOM 0 H GLY A 91 -4.625 9.580 3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.519 10.260 3.961 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.079 11.903 4.203 1.00 0.00 H new ATOM 1419 N LYS A 92 -4.641 10.191 6.297 1.00 0.00 N ATOM 1420 CA LYS A 92 -4.870 9.869 7.702 1.00 0.00 C ATOM 1421 C LYS A 92 -5.017 8.335 7.832 1.00 0.00 C ATOM 1422 O LYS A 92 -5.743 7.717 7.067 1.00 0.00 O ATOM 1423 CB LYS A 92 -6.125 10.656 8.209 1.00 0.00 C ATOM 1424 CG LYS A 92 -6.459 10.567 9.715 1.00 0.00 C ATOM 1425 CD LYS A 92 -6.991 9.209 10.129 1.00 0.00 C ATOM 1426 CE LYS A 92 -7.244 9.130 11.623 1.00 0.00 C ATOM 1427 NZ LYS A 92 -7.756 7.798 12.009 1.00 0.00 N ATOM 0 H LYS A 92 -5.461 10.077 5.701 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.033 10.173 8.330 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.988 11.707 7.956 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.992 10.304 7.650 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.563 10.791 10.293 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.197 11.330 9.963 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.918 9.004 9.593 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.278 8.437 9.841 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.320 9.338 12.162 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -7.962 9.897 11.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -7.696 7.689 13.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -8.747 7.706 11.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.185 7.060 11.549 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.323 7.747 8.795 1.00 0.00 N ATOM 1442 CA ILE A 93 -4.287 6.283 9.001 1.00 0.00 C ATOM 1443 C ILE A 93 -5.660 5.722 9.382 1.00 0.00 C ATOM 1444 O ILE A 93 -6.281 6.178 10.340 1.00 0.00 O ATOM 1445 CB ILE A 93 -3.281 5.912 10.135 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -1.875 6.402 9.789 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -3.264 4.395 10.377 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -0.867 6.219 10.908 1.00 0.00 C ATOM 0 H ILE A 93 -3.759 8.266 9.468 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.974 5.846 8.053 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.610 6.405 11.050 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.523 5.870 8.905 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.924 7.459 9.526 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.555 4.161 11.172 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.260 4.062 10.669 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.965 3.884 9.462 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.106 6.590 10.586 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.194 6.774 11.787 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.787 5.161 11.156 1.00 0.00 H new ATOM 1460 N LEU A 94 -6.126 4.744 8.636 1.00 0.00 N ATOM 1461 CA LEU A 94 -7.358 4.080 8.965 1.00 0.00 C ATOM 1462 C LEU A 94 -7.096 2.781 9.674 1.00 0.00 C ATOM 1463 O LEU A 94 -7.643 2.528 10.756 1.00 0.00 O ATOM 1464 CB LEU A 94 -8.216 3.797 7.741 1.00 0.00 C ATOM 1465 CG LEU A 94 -8.871 4.970 7.036 1.00 0.00 C ATOM 1466 CD1 LEU A 94 -9.796 4.445 5.950 1.00 0.00 C ATOM 1467 CD2 LEU A 94 -9.643 5.848 8.019 1.00 0.00 C ATOM 0 H LEU A 94 -5.665 4.394 7.796 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.901 4.764 9.618 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.595 3.276 7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.004 3.106 8.040 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.094 5.589 6.588 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.270 5.283 5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.220 3.862 5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.562 3.813 6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.100 6.679 7.483 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.420 5.256 8.502 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.960 6.236 8.775 1.00 0.00 H new ATOM 1479 N ASP A 95 -6.242 1.967 9.092 1.00 0.00 N ATOM 1480 CA ASP A 95 -5.993 0.659 9.584 1.00 0.00 C ATOM 1481 C ASP A 95 -4.692 0.126 9.120 1.00 0.00 C ATOM 1482 O ASP A 95 -4.132 0.574 8.113 1.00 0.00 O ATOM 1483 CB ASP A 95 -7.154 -0.329 9.361 1.00 0.00 C ATOM 1484 CG ASP A 95 -7.802 -0.284 8.003 1.00 0.00 C ATOM 1485 OD1 ASP A 95 -7.302 -0.871 7.063 1.00 0.00 O ATOM 1486 OD2 ASP A 95 -8.884 0.341 7.888 1.00 0.00 O ATOM 0 H ASP A 95 -5.705 2.210 8.260 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.925 0.766 10.667 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.784 -1.340 9.533 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.919 -0.138 10.114 1.00 0.00 H new ATOM 1491 N LYS A 96 -4.201 -0.802 9.863 1.00 0.00 N ATOM 1492 CA LYS A 96 -2.901 -1.326 9.680 1.00 0.00 C ATOM 1493 C LYS A 96 -2.983 -2.842 9.910 1.00 0.00 C ATOM 1494 O LYS A 96 -3.487 -3.296 10.939 1.00 0.00 O ATOM 1495 CB LYS A 96 -2.054 -0.584 10.746 1.00 0.00 C ATOM 1496 CG LYS A 96 -0.548 -0.768 10.787 1.00 0.00 C ATOM 1497 CD LYS A 96 -0.124 -2.162 11.244 1.00 0.00 C ATOM 1498 CE LYS A 96 1.279 -2.163 11.866 1.00 0.00 C ATOM 1499 NZ LYS A 96 2.342 -1.658 10.967 1.00 0.00 N ATOM 0 H LYS A 96 -4.711 -1.228 10.637 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.464 -1.185 8.691 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.246 0.482 10.627 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.441 -0.871 11.724 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.138 -0.578 9.795 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -0.116 -0.026 11.458 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.843 -2.539 11.971 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.144 -2.844 10.394 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.264 -1.554 12.770 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.529 -3.179 12.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.086 -1.201 11.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.751 -2.451 10.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.937 -0.967 10.304 1.00 0.00 H new ATOM 1513 N VAL A 97 -2.499 -3.611 8.955 1.00 0.00 N ATOM 1514 CA VAL A 97 -2.571 -5.068 9.009 1.00 0.00 C ATOM 1515 C VAL A 97 -1.189 -5.664 8.754 1.00 0.00 C ATOM 1516 O VAL A 97 -0.476 -5.213 7.868 1.00 0.00 O ATOM 1517 CB VAL A 97 -3.572 -5.612 7.933 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -3.673 -7.128 7.981 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -4.952 -4.989 8.103 1.00 0.00 C ATOM 0 H VAL A 97 -2.044 -3.249 8.117 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.922 -5.358 9.999 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.180 -5.328 6.957 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.376 -7.470 7.221 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.692 -7.564 7.791 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.023 -7.438 8.965 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.626 -5.385 7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.340 -5.229 9.093 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.879 -3.907 7.995 1.00 0.00 H new ATOM 1529 N VAL A 98 -0.806 -6.649 9.540 1.00 0.00 N ATOM 1530 CA VAL A 98 0.479 -7.306 9.371 1.00 0.00 C ATOM 1531 C VAL A 98 0.274 -8.782 9.046 1.00 0.00 C ATOM 1532 O VAL A 98 -0.505 -9.465 9.717 1.00 0.00 O ATOM 1533 CB VAL A 98 1.355 -7.173 10.631 1.00 0.00 C ATOM 1534 CG1 VAL A 98 2.701 -7.867 10.450 1.00 0.00 C ATOM 1535 CG2 VAL A 98 1.557 -5.716 11.006 1.00 0.00 C ATOM 0 H VAL A 98 -1.369 -7.016 10.308 1.00 0.00 H new ATOM 0 HA VAL A 98 0.994 -6.815 8.546 1.00 0.00 H new ATOM 0 HB VAL A 98 0.827 -7.668 11.446 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.294 -7.754 11.358 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.540 -8.927 10.252 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.232 -7.417 9.611 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.179 -5.653 11.899 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.047 -5.193 10.185 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.590 -5.254 11.204 1.00 0.00 H new ATOM 1545 N GLY A 99 0.957 -9.259 8.027 1.00 0.00 N ATOM 1546 CA GLY A 99 0.833 -10.648 7.629 1.00 0.00 C ATOM 1547 C GLY A 99 0.009 -10.785 6.373 1.00 0.00 C ATOM 1548 O GLY A 99 -1.146 -10.342 6.334 1.00 0.00 O ATOM 0 H GLY A 99 1.602 -8.709 7.460 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.824 -11.072 7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.371 -11.220 8.434 1.00 0.00 H new ATOM 1552 N ALA A 100 0.578 -11.385 5.343 1.00 0.00 N ATOM 1553 CA ALA A 100 -0.130 -11.501 4.100 1.00 0.00 C ATOM 1554 C ALA A 100 -0.843 -12.820 3.999 1.00 0.00 C ATOM 1555 O ALA A 100 -0.230 -13.874 3.844 1.00 0.00 O ATOM 1556 CB ALA A 100 0.836 -11.353 2.928 1.00 0.00 C ATOM 0 H ALA A 100 1.514 -11.791 5.350 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.873 -10.704 4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.287 -11.443 1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.317 -10.376 2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.594 -12.134 2.981 1.00 0.00 H new ATOM 1562 N LYS A 101 -2.128 -12.742 4.125 1.00 0.00 N ATOM 1563 CA LYS A 101 -3.025 -13.802 3.854 1.00 0.00 C ATOM 1564 C LYS A 101 -4.050 -13.258 2.914 1.00 0.00 C ATOM 1565 O LYS A 101 -4.488 -12.105 3.102 1.00 0.00 O ATOM 1566 CB LYS A 101 -3.674 -14.335 5.127 1.00 0.00 C ATOM 1567 CG LYS A 101 -2.732 -15.106 6.038 1.00 0.00 C ATOM 1568 CD LYS A 101 -3.423 -15.580 7.254 1.00 0.00 C ATOM 1569 CE LYS A 101 -2.518 -16.433 8.135 1.00 0.00 C ATOM 1570 NZ LYS A 101 -2.100 -17.694 7.464 1.00 0.00 N ATOM 0 H LYS A 101 -2.597 -11.891 4.436 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.496 -14.648 3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.094 -13.497 5.684 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.506 -14.984 4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.318 -15.958 5.498 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.894 -14.469 6.320 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.779 -14.723 7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.301 -16.160 6.968 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.633 -15.858 8.406 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.039 -16.673 9.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.677 -18.336 8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.930 -18.150 7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.401 -17.479 6.725 1.00 0.00 H new ATOM 1584 N LYS A 102 -4.450 -14.019 1.919 1.00 0.00 N ATOM 1585 CA LYS A 102 -5.403 -13.526 0.972 1.00 0.00 C ATOM 1586 C LYS A 102 -6.717 -13.190 1.671 1.00 0.00 C ATOM 1587 O LYS A 102 -7.291 -12.127 1.445 1.00 0.00 O ATOM 1588 CB LYS A 102 -5.632 -14.515 -0.159 1.00 0.00 C ATOM 1589 CG LYS A 102 -6.511 -13.941 -1.247 1.00 0.00 C ATOM 1590 CD LYS A 102 -6.768 -14.911 -2.393 1.00 0.00 C ATOM 1591 CE LYS A 102 -7.607 -16.101 -1.961 1.00 0.00 C ATOM 1592 NZ LYS A 102 -7.855 -17.027 -3.083 1.00 0.00 N ATOM 0 H LYS A 102 -4.129 -14.973 1.752 1.00 0.00 H new ATOM 0 HA LYS A 102 -4.997 -12.616 0.531 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.672 -14.806 -0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.092 -15.420 0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.465 -13.642 -0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.044 -13.039 -1.642 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.274 -14.387 -3.204 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.816 -15.264 -2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.099 -16.632 -1.156 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -8.558 -15.750 -1.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -8.431 -17.827 -2.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -8.362 -16.526 -3.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.948 -17.381 -3.448 1.00 0.00 H new ATOM 1606 N ASP A 103 -7.148 -14.081 2.560 1.00 0.00 N ATOM 1607 CA ASP A 103 -8.398 -13.912 3.315 1.00 0.00 C ATOM 1608 C ASP A 103 -8.345 -12.670 4.180 1.00 0.00 C ATOM 1609 O ASP A 103 -9.305 -11.923 4.271 1.00 0.00 O ATOM 1610 CB ASP A 103 -8.666 -15.126 4.209 1.00 0.00 C ATOM 1611 CG ASP A 103 -9.983 -15.022 4.954 1.00 0.00 C ATOM 1612 OD1 ASP A 103 -11.020 -15.444 4.395 1.00 0.00 O ATOM 1613 OD2 ASP A 103 -10.004 -14.526 6.103 1.00 0.00 O ATOM 0 H ASP A 103 -6.646 -14.941 2.781 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.204 -13.813 2.588 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.669 -16.029 3.598 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -7.853 -15.230 4.928 1.00 0.00 H new ATOM 1618 N GLU A 104 -7.199 -12.444 4.789 1.00 0.00 N ATOM 1619 CA GLU A 104 -7.005 -11.312 5.687 1.00 0.00 C ATOM 1620 C GLU A 104 -7.079 -10.006 4.909 1.00 0.00 C ATOM 1621 O GLU A 104 -7.683 -9.021 5.362 1.00 0.00 O ATOM 1622 CB GLU A 104 -5.657 -11.434 6.394 1.00 0.00 C ATOM 1623 CG GLU A 104 -5.368 -10.349 7.414 1.00 0.00 C ATOM 1624 CD GLU A 104 -6.264 -10.420 8.625 1.00 0.00 C ATOM 1625 OE1 GLU A 104 -7.356 -9.850 8.615 1.00 0.00 O ATOM 1626 OE2 GLU A 104 -5.860 -11.050 9.628 1.00 0.00 O ATOM 0 H GLU A 104 -6.375 -13.035 4.679 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.796 -11.314 6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.612 -12.402 6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.867 -11.425 5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.329 -10.427 7.734 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.484 -9.374 6.941 1.00 0.00 H new ATOM 1633 N LEU A 105 -6.485 -9.992 3.737 1.00 0.00 N ATOM 1634 CA LEU A 105 -6.523 -8.819 2.909 1.00 0.00 C ATOM 1635 C LEU A 105 -7.940 -8.599 2.450 1.00 0.00 C ATOM 1636 O LEU A 105 -8.460 -7.507 2.539 1.00 0.00 O ATOM 1637 CB LEU A 105 -5.612 -8.970 1.721 1.00 0.00 C ATOM 1638 CG LEU A 105 -5.439 -7.710 0.865 1.00 0.00 C ATOM 1639 CD1 LEU A 105 -4.905 -6.550 1.702 1.00 0.00 C ATOM 1640 CD2 LEU A 105 -4.515 -7.975 -0.294 1.00 0.00 C ATOM 0 H LEU A 105 -5.972 -10.780 3.341 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.179 -7.961 3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.631 -9.287 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.997 -9.770 1.088 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.420 -7.435 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.791 -5.668 1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.605 -6.331 2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.937 -6.821 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.407 -7.067 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.539 -8.281 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.930 -8.768 -0.916 1.00 0.00 H new ATOM 1652 N GLN A 106 -8.553 -9.669 1.987 1.00 0.00 N ATOM 1653 CA GLN A 106 -9.977 -9.679 1.590 1.00 0.00 C ATOM 1654 C GLN A 106 -10.874 -9.174 2.718 1.00 0.00 C ATOM 1655 O GLN A 106 -11.862 -8.472 2.476 1.00 0.00 O ATOM 1656 CB GLN A 106 -10.416 -11.091 1.173 1.00 0.00 C ATOM 1657 CG GLN A 106 -9.891 -11.560 -0.178 1.00 0.00 C ATOM 1658 CD GLN A 106 -10.565 -10.852 -1.333 1.00 0.00 C ATOM 1659 OE1 GLN A 106 -10.026 -9.736 -1.740 1.00 0.00 O flip ATOM 1660 NE2 GLN A 106 -11.582 -11.317 -1.848 1.00 0.00 N flip ATOM 0 H GLN A 106 -8.089 -10.570 1.869 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.081 -9.006 0.739 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -10.089 -11.796 1.937 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.505 -11.125 1.153 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.816 -11.388 -0.227 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -10.047 -12.635 -0.273 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -11.974 -12.193 -1.502 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -12.032 -10.827 -2.621 1.00 0.00 H new ATOM 1669 N SER A 107 -10.527 -9.513 3.939 1.00 0.00 N ATOM 1670 CA SER A 107 -11.294 -9.092 5.083 1.00 0.00 C ATOM 1671 C SER A 107 -11.134 -7.591 5.272 1.00 0.00 C ATOM 1672 O SER A 107 -12.105 -6.872 5.539 1.00 0.00 O ATOM 1673 CB SER A 107 -10.851 -9.867 6.332 1.00 0.00 C ATOM 1674 OG SER A 107 -11.632 -9.532 7.469 1.00 0.00 O ATOM 0 H SER A 107 -9.712 -10.084 4.163 1.00 0.00 H new ATOM 0 HA SER A 107 -12.350 -9.308 4.919 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.929 -10.937 6.141 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.802 -9.655 6.537 1.00 0.00 H new ATOM 0 HG SER A 107 -11.321 -10.047 8.243 1.00 0.00 H new ATOM 1680 N THR A 108 -9.924 -7.116 5.076 1.00 0.00 N ATOM 1681 CA THR A 108 -9.631 -5.718 5.199 1.00 0.00 C ATOM 1682 C THR A 108 -10.275 -4.943 4.029 1.00 0.00 C ATOM 1683 O THR A 108 -10.695 -3.799 4.181 1.00 0.00 O ATOM 1684 CB THR A 108 -8.107 -5.488 5.237 1.00 0.00 C ATOM 1685 OG1 THR A 108 -7.537 -6.366 6.231 1.00 0.00 O ATOM 1686 CG2 THR A 108 -7.796 -4.047 5.630 1.00 0.00 C ATOM 0 H THR A 108 -9.121 -7.693 4.827 1.00 0.00 H new ATOM 0 HA THR A 108 -10.050 -5.348 6.135 1.00 0.00 H new ATOM 0 HB THR A 108 -7.690 -5.688 4.250 1.00 0.00 H new ATOM 0 HG1 THR A 108 -7.521 -7.283 5.887 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.716 -3.901 5.652 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.239 -3.368 4.902 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.210 -3.842 6.617 1.00 0.00 H new ATOM 1694 N ILE A 109 -10.381 -5.588 2.875 1.00 0.00 N ATOM 1695 CA ILE A 109 -11.030 -4.976 1.734 1.00 0.00 C ATOM 1696 C ILE A 109 -12.519 -4.785 2.019 1.00 0.00 C ATOM 1697 O ILE A 109 -13.046 -3.703 1.818 1.00 0.00 O ATOM 1698 CB ILE A 109 -10.818 -5.772 0.415 1.00 0.00 C ATOM 1699 CG1 ILE A 109 -9.318 -5.851 0.080 1.00 0.00 C ATOM 1700 CG2 ILE A 109 -11.585 -5.113 -0.734 1.00 0.00 C ATOM 1701 CD1 ILE A 109 -9.002 -6.642 -1.169 1.00 0.00 C ATOM 0 H ILE A 109 -10.026 -6.530 2.709 1.00 0.00 H new ATOM 0 HA ILE A 109 -10.561 -4.004 1.582 1.00 0.00 H new ATOM 0 HB ILE A 109 -11.201 -6.783 0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.930 -4.839 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.792 -6.299 0.923 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.427 -5.682 -1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -12.649 -5.094 -0.498 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -11.226 -4.093 -0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.924 -6.648 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.357 -7.666 -1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.496 -6.183 -2.025 1.00 0.00 H new ATOM 1713 N ALA A 110 -13.177 -5.831 2.544 1.00 0.00 N ATOM 1714 CA ALA A 110 -14.610 -5.748 2.878 1.00 0.00 C ATOM 1715 C ALA A 110 -14.846 -4.723 3.972 1.00 0.00 C ATOM 1716 O ALA A 110 -15.865 -4.039 3.987 1.00 0.00 O ATOM 1717 CB ALA A 110 -15.151 -7.105 3.283 1.00 0.00 C ATOM 0 H ALA A 110 -12.747 -6.734 2.745 1.00 0.00 H new ATOM 0 HA ALA A 110 -15.148 -5.425 1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -16.210 -7.017 3.525 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -15.024 -7.808 2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.609 -7.467 4.156 1.00 0.00 H new ATOM 1723 N LYS A 111 -13.878 -4.615 4.861 1.00 0.00 N ATOM 1724 CA LYS A 111 -13.868 -3.639 5.941 1.00 0.00 C ATOM 1725 C LYS A 111 -13.968 -2.237 5.363 1.00 0.00 C ATOM 1726 O LYS A 111 -14.682 -1.378 5.871 1.00 0.00 O ATOM 1727 CB LYS A 111 -12.548 -3.774 6.645 1.00 0.00 C ATOM 1728 CG LYS A 111 -12.342 -2.910 7.869 1.00 0.00 C ATOM 1729 CD LYS A 111 -10.944 -3.122 8.429 1.00 0.00 C ATOM 1730 CE LYS A 111 -10.690 -2.261 9.646 1.00 0.00 C ATOM 1731 NZ LYS A 111 -10.805 -0.818 9.341 1.00 0.00 N ATOM 0 H LYS A 111 -13.055 -5.217 4.855 1.00 0.00 H new ATOM 0 HA LYS A 111 -14.705 -3.807 6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -12.424 -4.816 6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -11.756 -3.547 5.931 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -12.483 -1.860 7.611 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -13.087 -3.155 8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.813 -4.172 8.693 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.206 -2.892 7.661 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -11.401 -2.523 10.430 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -9.694 -2.470 10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.398 -0.265 10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.290 -0.607 8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -11.807 -0.567 9.224 1.00 0.00 H new ATOM 1745 N HIS A 112 -13.244 -2.035 4.289 1.00 0.00 N ATOM 1746 CA HIS A 112 -13.189 -0.770 3.596 1.00 0.00 C ATOM 1747 C HIS A 112 -14.331 -0.556 2.600 1.00 0.00 C ATOM 1748 O HIS A 112 -14.526 0.567 2.130 1.00 0.00 O ATOM 1749 CB HIS A 112 -11.857 -0.604 2.886 1.00 0.00 C ATOM 1750 CG HIS A 112 -10.701 -0.232 3.763 1.00 0.00 C ATOM 1751 ND1 HIS A 112 -10.217 1.046 3.847 1.00 0.00 N ATOM 1752 CD2 HIS A 112 -9.910 -0.974 4.562 1.00 0.00 C ATOM 1753 CE1 HIS A 112 -9.185 1.071 4.651 1.00 0.00 C ATOM 1754 NE2 HIS A 112 -8.978 -0.142 5.095 1.00 0.00 N ATOM 0 H HIS A 112 -12.665 -2.759 3.864 1.00 0.00 H new ATOM 0 HA HIS A 112 -13.301 -0.010 4.369 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -11.618 -1.537 2.376 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.968 0.160 2.117 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -10.000 -2.035 4.745 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.603 1.945 4.905 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -8.236 -0.419 5.738 1.00 0.00 H new ATOM 1763 N LEU A 113 -15.067 -1.604 2.257 1.00 0.00 N ATOM 1764 CA LEU A 113 -16.132 -1.493 1.343 1.00 0.00 C ATOM 1765 C LEU A 113 -17.325 -0.768 1.949 1.00 0.00 C ATOM 1766 O LEU A 113 -18.148 -1.364 2.658 1.00 0.00 O ATOM 1767 CB LEU A 113 -16.519 -2.856 0.852 1.00 0.00 C ATOM 1768 CG LEU A 113 -15.513 -3.594 0.002 1.00 0.00 C ATOM 1769 CD1 LEU A 113 -16.066 -4.929 -0.442 1.00 0.00 C ATOM 1770 CD2 LEU A 113 -15.070 -2.771 -1.197 1.00 0.00 C ATOM 0 H LEU A 113 -14.921 -2.546 2.620 1.00 0.00 H new ATOM 0 HA LEU A 113 -15.797 -0.892 0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -16.748 -3.475 1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -17.440 -2.759 0.278 1.00 0.00 H new ATOM 0 HG LEU A 113 -14.632 -3.769 0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -15.325 -5.445 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -16.300 -5.535 0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -16.972 -4.771 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -14.346 -3.340 -1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -15.935 -2.538 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -14.611 -1.845 -0.853 1.00 0.00 H new ATOM 1782 N ALA A 114 -17.386 0.513 1.707 1.00 0.00 N ATOM 1783 CA ALA A 114 -18.439 1.355 2.190 1.00 0.00 C ATOM 1784 C ALA A 114 -18.690 2.439 1.171 1.00 0.00 C ATOM 1785 O ALA A 114 -18.002 3.477 1.217 1.00 0.00 O ATOM 1786 CB ALA A 114 -18.066 1.959 3.544 1.00 0.00 C ATOM 1787 OXT ALA A 114 -19.554 2.245 0.296 1.00 0.00 O ATOM 0 H ALA A 114 -16.687 1.009 1.155 1.00 0.00 H new ATOM 0 HA ALA A 114 -19.347 0.768 2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -18.878 2.596 3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -17.895 1.159 4.264 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -17.158 2.554 3.440 1.00 0.00 H new TER 1793 ALA A 114