USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 729 hydrogens (14 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 NoAdj-H: A 33 ALY H2 : A 33 ALY N : A 32 PHE C :(H bumps) USER MOD NoAdj-H: A 33 ALY H : A 33 ALY N : A 32 PHE C :(H bumps) USER MOD Set 1.1: A 90 GLN : amide:sc= 0.262 K(o=1.4,f=-2.9) USER MOD Set 1.2: A 91 THR OG1 : rot -17:sc= 1.13 USER MOD Set 2.1: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 57 GLN : amide:sc= -3.24! C(o=-3.2!,f=-3.4!) USER MOD Set 3.1: A 48 CYS SG : rot 5:sc= -0.202 USER MOD Set 3.2: A 55 MET CE :methyl -129:sc= -0.56 (180deg=-1.29) USER MOD Set 4.1: A 28 SER OG : rot -161:sc= 1.25 USER MOD Set 4.2: A 51 GLN : amide:sc= -0.665 K(o=0.59,f=-1.7!) USER MOD Set 5.1: A 15 ASN : amide:sc= 0.878 K(o=0.83,f=-7.3!) USER MOD Set 5.2: A 17 HIS : no HE2:sc= -0.0516 K(o=0.83,f=-8.9!) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0333 (180deg=-0.359) USER MOD Single : A 1 MET N :NH3+ -145:sc= 1.33 (180deg=0.461) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 154:sc= 1.17 (180deg=0.559) USER MOD Single : A 11 LYS NZ :NH3+ 158:sc= -0.0254 (180deg=-0.27) USER MOD Single : A 12 THR OG1 : rot -62:sc= 0.426 USER MOD Single : A 14 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.073) USER MOD Single : A 19 ASN : amide:sc= -2.46 K(o=-2.5,f=-3.9!) USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= 0.896 (180deg=0.785) USER MOD Single : A 25 GLN : amide:sc= 1.11 K(o=1.1,f=-0.32) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.108 F(o=-1.4,f=-0.11) USER MOD Single : A 35 LYS NZ :NH3+ -162:sc= -0.999 (180deg=-1.78) USER MOD Single : A 37 HIS : no HD1:sc= -0.077 X(o=-0.077,f=-0.079) USER MOD Single : A 38 THR OG1 : rot -126:sc= -3.25! USER MOD Single : A 41 SER OG : rot -130:sc= -0.788 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 169:sc= -1.25 (180deg=-1.5) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN :FLIP amide:sc= -0.657 F(o=-2.3!,f=-0.66) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.0237 F(o=-2.9!,f=-0.024) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00335 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN :FLIP amide:sc= -0.76 F(o=-1.5!,f=-0.76) USER MOD Single : A 78 MET CE :methyl 142:sc= -0.551 (180deg=-1.72) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.925 F(o=-3.6!,f=-0.92) USER MOD Single : A 89 GLN : amide:sc= 0.58 K(o=0.58,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.276 -2.692 3.616 1.00 0.00 N ATOM 2 CA MET A 1 18.569 -2.043 3.915 1.00 0.00 C ATOM 3 C MET A 1 18.386 -0.549 4.204 1.00 0.00 C ATOM 4 O MET A 1 19.098 0.029 5.021 1.00 0.00 O ATOM 5 CB MET A 1 19.555 -2.229 2.746 1.00 0.00 C ATOM 6 CG MET A 1 19.202 -1.437 1.486 1.00 0.00 C ATOM 7 SD MET A 1 17.693 -2.011 0.670 1.00 0.00 S ATOM 8 CE MET A 1 18.215 -3.625 0.078 1.00 0.00 C ATOM 0 H1 MET A 1 17.279 -3.661 3.993 1.00 0.00 H new ATOM 0 H2 MET A 1 16.506 -2.151 4.058 1.00 0.00 H new ATOM 0 H3 MET A 1 17.132 -2.721 2.586 1.00 0.00 H new ATOM 0 HA MET A 1 18.978 -2.521 4.805 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.551 -1.935 3.077 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.603 -3.288 2.493 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.086 -0.385 1.748 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.032 -1.500 0.783 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.512 -3.981 -0.675 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.209 -3.547 -0.361 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.241 -4.327 0.911 1.00 0.00 H new ATOM 18 N ALA A 2 17.425 0.082 3.535 1.00 0.00 N ATOM 19 CA ALA A 2 17.193 1.513 3.699 1.00 0.00 C ATOM 20 C ALA A 2 16.055 1.794 4.673 1.00 0.00 C ATOM 21 O ALA A 2 15.699 2.944 4.913 1.00 0.00 O ATOM 22 CB ALA A 2 16.909 2.159 2.349 1.00 0.00 C ATOM 0 H ALA A 2 16.795 -0.375 2.875 1.00 0.00 H new ATOM 0 HA ALA A 2 18.099 1.949 4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 2 16.738 3.227 2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 2 17.763 2.010 1.688 1.00 0.00 H new ATOM 0 HB3 ALA A 2 16.023 1.703 1.907 1.00 0.00 H new ATOM 28 N ASP A 3 15.490 0.749 5.246 1.00 0.00 N ATOM 29 CA ASP A 3 14.393 0.904 6.201 1.00 0.00 C ATOM 30 C ASP A 3 14.934 0.859 7.631 1.00 0.00 C ATOM 31 O ASP A 3 14.192 0.744 8.607 1.00 0.00 O ATOM 32 CB ASP A 3 13.329 -0.187 5.980 1.00 0.00 C ATOM 33 CG ASP A 3 12.073 0.027 6.813 1.00 0.00 C ATOM 34 OD1 ASP A 3 11.374 1.041 6.600 1.00 0.00 O ATOM 35 OD2 ASP A 3 11.776 -0.825 7.679 1.00 0.00 O ATOM 0 H ASP A 3 15.767 -0.217 5.072 1.00 0.00 H new ATOM 0 HA ASP A 3 13.919 1.873 6.042 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.058 -0.213 4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 3 13.758 -1.159 6.223 1.00 0.00 H new ATOM 40 N GLU A 4 16.249 0.959 7.753 1.00 0.00 N ATOM 41 CA GLU A 4 16.898 0.957 9.057 1.00 0.00 C ATOM 42 C GLU A 4 16.658 2.271 9.784 1.00 0.00 C ATOM 43 O GLU A 4 17.459 3.203 9.688 1.00 0.00 O ATOM 44 CB GLU A 4 18.393 0.674 8.930 1.00 0.00 C ATOM 45 CG GLU A 4 18.706 -0.698 8.361 1.00 0.00 C ATOM 46 CD GLU A 4 18.038 -1.803 9.143 1.00 0.00 C ATOM 47 OE1 GLU A 4 18.617 -2.266 10.137 1.00 0.00 O ATOM 48 OE2 GLU A 4 16.921 -2.206 8.774 1.00 0.00 O ATOM 0 H GLU A 4 16.889 1.043 6.964 1.00 0.00 H new ATOM 0 HA GLU A 4 16.455 0.155 9.647 1.00 0.00 H new ATOM 0 HB2 GLU A 4 18.845 1.434 8.293 1.00 0.00 H new ATOM 0 HB3 GLU A 4 18.856 0.765 9.913 1.00 0.00 H new ATOM 0 HG2 GLU A 4 18.380 -0.742 7.322 1.00 0.00 H new ATOM 0 HG3 GLU A 4 19.785 -0.854 8.364 1.00 0.00 H new ATOM 55 N LYS A 5 15.524 2.335 10.493 1.00 0.00 N ATOM 56 CA LYS A 5 15.096 3.522 11.252 1.00 0.00 C ATOM 57 C LYS A 5 15.278 4.818 10.455 1.00 0.00 C ATOM 58 O LYS A 5 16.193 5.599 10.723 1.00 0.00 O ATOM 59 CB LYS A 5 15.826 3.606 12.600 1.00 0.00 C ATOM 60 CG LYS A 5 15.479 2.484 13.582 1.00 0.00 C ATOM 61 CD LYS A 5 14.281 2.829 14.483 1.00 0.00 C ATOM 62 CE LYS A 5 12.972 2.954 13.707 1.00 0.00 C ATOM 63 NZ LYS A 5 11.809 3.140 14.614 1.00 0.00 N ATOM 0 H LYS A 5 14.869 1.556 10.558 1.00 0.00 H new ATOM 0 HA LYS A 5 14.029 3.408 11.442 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.901 3.593 12.418 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.593 4.564 13.066 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.258 1.574 13.024 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.347 2.272 14.206 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.173 2.059 15.246 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.481 3.766 15.002 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.036 3.798 13.020 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.822 2.060 13.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.939 3.221 14.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.733 2.323 15.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.941 4.006 15.174 1.00 0.00 H new ATOM 77 N PRO A 6 14.422 5.050 9.451 1.00 0.00 N ATOM 78 CA PRO A 6 14.496 6.252 8.629 1.00 0.00 C ATOM 79 C PRO A 6 13.956 7.480 9.354 1.00 0.00 C ATOM 80 O PRO A 6 13.358 7.377 10.429 1.00 0.00 O ATOM 81 CB PRO A 6 13.618 5.920 7.428 1.00 0.00 C ATOM 82 CG PRO A 6 12.636 4.919 7.930 1.00 0.00 C ATOM 83 CD PRO A 6 13.319 4.158 9.035 1.00 0.00 C ATOM 0 HA PRO A 6 15.524 6.500 8.366 1.00 0.00 H new ATOM 0 HB2 PRO A 6 13.115 6.810 7.049 1.00 0.00 H new ATOM 0 HB3 PRO A 6 14.210 5.515 6.607 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.736 5.411 8.298 1.00 0.00 H new ATOM 0 HG3 PRO A 6 12.327 4.246 7.130 1.00 0.00 H new ATOM 0 HD2 PRO A 6 12.637 3.954 9.860 1.00 0.00 H new ATOM 0 HD3 PRO A 6 13.693 3.196 8.686 1.00 0.00 H new ATOM 91 N LYS A 7 14.184 8.641 8.771 1.00 0.00 N ATOM 92 CA LYS A 7 13.725 9.919 9.328 1.00 0.00 C ATOM 93 C LYS A 7 12.195 10.070 9.326 1.00 0.00 C ATOM 94 O LYS A 7 11.664 11.072 9.808 1.00 0.00 O ATOM 95 CB LYS A 7 14.383 11.089 8.577 1.00 0.00 C ATOM 96 CG LYS A 7 14.346 10.968 7.051 1.00 0.00 C ATOM 97 CD LYS A 7 12.975 11.258 6.471 1.00 0.00 C ATOM 98 CE LYS A 7 12.995 11.140 4.955 1.00 0.00 C ATOM 99 NZ LYS A 7 13.528 9.829 4.504 1.00 0.00 N ATOM 0 H LYS A 7 14.695 8.735 7.893 1.00 0.00 H new ATOM 0 HA LYS A 7 14.031 9.933 10.374 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.886 12.015 8.867 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.422 11.171 8.897 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.071 11.657 6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.652 9.962 6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.245 10.562 6.885 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.658 12.261 6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.985 11.273 4.568 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.604 11.942 4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.140 9.600 3.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.565 9.877 4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.253 9.090 5.182 1.00 0.00 H new ATOM 113 N GLU A 8 11.488 9.102 8.770 1.00 0.00 N ATOM 114 CA GLU A 8 10.038 9.148 8.757 1.00 0.00 C ATOM 115 C GLU A 8 9.481 8.839 10.143 1.00 0.00 C ATOM 116 O GLU A 8 10.148 8.215 10.971 1.00 0.00 O ATOM 117 CB GLU A 8 9.463 8.175 7.739 1.00 0.00 C ATOM 118 CG GLU A 8 9.786 8.512 6.298 1.00 0.00 C ATOM 119 CD GLU A 8 10.903 7.668 5.758 1.00 0.00 C ATOM 120 OE1 GLU A 8 10.626 6.550 5.279 1.00 0.00 O ATOM 121 OE2 GLU A 8 12.062 8.112 5.808 1.00 0.00 O ATOM 0 H GLU A 8 11.892 8.279 8.324 1.00 0.00 H new ATOM 0 HA GLU A 8 9.742 10.157 8.470 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.838 7.175 7.958 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.380 8.142 7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.896 8.370 5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.059 9.565 6.225 1.00 0.00 H new ATOM 128 N GLY A 9 8.257 9.258 10.390 1.00 0.00 N ATOM 129 CA GLY A 9 7.650 9.052 11.684 1.00 0.00 C ATOM 130 C GLY A 9 7.423 10.363 12.385 1.00 0.00 C ATOM 131 O GLY A 9 6.700 10.446 13.383 1.00 0.00 O ATOM 0 H GLY A 9 7.667 9.741 9.713 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.701 8.529 11.566 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.291 8.415 12.294 1.00 0.00 H new ATOM 135 N VAL A 10 8.038 11.400 11.855 1.00 0.00 N ATOM 136 CA VAL A 10 7.913 12.740 12.387 1.00 0.00 C ATOM 137 C VAL A 10 6.561 13.332 11.989 1.00 0.00 C ATOM 138 O VAL A 10 5.986 12.960 10.959 1.00 0.00 O ATOM 139 CB VAL A 10 9.065 13.648 11.870 1.00 0.00 C ATOM 140 CG1 VAL A 10 8.967 15.061 12.435 1.00 0.00 C ATOM 141 CG2 VAL A 10 10.414 13.032 12.212 1.00 0.00 C ATOM 0 H VAL A 10 8.643 11.335 11.037 1.00 0.00 H new ATOM 0 HA VAL A 10 7.978 12.689 13.474 1.00 0.00 H new ATOM 0 HB VAL A 10 8.970 13.720 10.787 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.789 15.664 12.050 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.019 15.507 12.136 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.023 15.023 13.523 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.212 13.677 11.845 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.502 12.926 13.293 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.496 12.051 11.743 1.00 0.00 H new ATOM 151 N LYS A 11 6.046 14.240 12.805 1.00 0.00 N ATOM 152 CA LYS A 11 4.763 14.867 12.534 1.00 0.00 C ATOM 153 C LYS A 11 4.816 15.639 11.226 1.00 0.00 C ATOM 154 O LYS A 11 5.556 16.615 11.092 1.00 0.00 O ATOM 155 CB LYS A 11 4.349 15.794 13.680 1.00 0.00 C ATOM 156 CG LYS A 11 4.106 15.089 15.014 1.00 0.00 C ATOM 157 CD LYS A 11 3.088 13.956 14.888 1.00 0.00 C ATOM 158 CE LYS A 11 3.767 12.590 14.765 1.00 0.00 C ATOM 159 NZ LYS A 11 4.475 12.202 16.017 1.00 0.00 N ATOM 0 H LYS A 11 6.499 14.559 13.662 1.00 0.00 H new ATOM 0 HA LYS A 11 4.015 14.079 12.448 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.125 16.547 13.818 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.440 16.322 13.392 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.048 14.689 15.389 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.752 15.814 15.747 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.432 13.958 15.759 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.459 14.129 14.015 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.020 11.835 14.523 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.478 12.612 13.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.594 11.169 16.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.409 12.659 16.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.917 12.506 16.840 1.00 0.00 H new ATOM 173 N THR A 12 4.053 15.193 10.256 1.00 0.00 N ATOM 174 CA THR A 12 4.022 15.822 8.959 1.00 0.00 C ATOM 175 C THR A 12 2.597 16.093 8.519 1.00 0.00 C ATOM 176 O THR A 12 1.871 15.181 8.117 1.00 0.00 O ATOM 177 CB THR A 12 4.728 14.953 7.909 1.00 0.00 C ATOM 178 OG1 THR A 12 4.828 13.598 8.381 1.00 0.00 O ATOM 179 CG2 THR A 12 6.108 15.495 7.613 1.00 0.00 C ATOM 0 H THR A 12 3.437 14.385 10.345 1.00 0.00 H new ATOM 0 HA THR A 12 4.551 16.771 9.045 1.00 0.00 H new ATOM 0 HB THR A 12 4.141 14.973 6.991 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.372 13.575 9.196 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.593 14.866 6.867 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.025 16.513 7.232 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.702 15.497 8.527 1.00 0.00 H new ATOM 187 N GLU A 13 2.182 17.340 8.603 1.00 0.00 N ATOM 188 CA GLU A 13 0.845 17.712 8.214 1.00 0.00 C ATOM 189 C GLU A 13 0.855 18.999 7.423 1.00 0.00 C ATOM 190 O GLU A 13 1.783 19.807 7.544 1.00 0.00 O ATOM 191 CB GLU A 13 -0.058 17.850 9.441 1.00 0.00 C ATOM 192 CG GLU A 13 0.387 18.932 10.408 1.00 0.00 C ATOM 193 CD GLU A 13 -0.527 19.056 11.598 1.00 0.00 C ATOM 194 OE1 GLU A 13 -1.671 19.532 11.431 1.00 0.00 O ATOM 195 OE2 GLU A 13 -0.108 18.687 12.710 1.00 0.00 O ATOM 0 H GLU A 13 2.757 18.113 8.939 1.00 0.00 H new ATOM 0 HA GLU A 13 0.447 16.920 7.579 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.074 18.066 9.111 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.090 16.896 9.967 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.398 18.713 10.752 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.428 19.887 9.885 1.00 0.00 H new ATOM 202 N ASN A 14 -0.160 19.169 6.567 1.00 0.00 N ATOM 203 CA ASN A 14 -0.327 20.402 5.771 1.00 0.00 C ATOM 204 C ASN A 14 0.765 20.473 4.733 1.00 0.00 C ATOM 205 O ASN A 14 1.137 21.541 4.249 1.00 0.00 O ATOM 206 CB ASN A 14 -0.282 21.636 6.680 1.00 0.00 C ATOM 207 CG ASN A 14 -1.344 21.600 7.758 1.00 0.00 C ATOM 208 OD1 ASN A 14 -2.515 21.337 7.487 1.00 0.00 O ATOM 209 ND2 ASN A 14 -0.928 21.792 8.992 1.00 0.00 N ATOM 0 H ASN A 14 -0.883 18.468 6.404 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.297 20.383 5.274 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.701 21.705 7.145 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.412 22.534 6.076 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.586 21.725 9.768 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.052 22.008 9.172 1.00 0.00 H new ATOM 216 N ASN A 15 1.255 19.315 4.378 1.00 0.00 N ATOM 217 CA ASN A 15 2.353 19.174 3.458 1.00 0.00 C ATOM 218 C ASN A 15 1.906 18.506 2.168 1.00 0.00 C ATOM 219 O ASN A 15 2.740 18.034 1.386 1.00 0.00 O ATOM 220 CB ASN A 15 3.476 18.365 4.121 1.00 0.00 C ATOM 221 CG ASN A 15 3.016 17.004 4.624 1.00 0.00 C ATOM 222 OD1 ASN A 15 1.846 16.798 4.936 1.00 0.00 O ATOM 223 ND2 ASN A 15 3.928 16.080 4.729 1.00 0.00 N ATOM 0 H ASN A 15 0.896 18.426 4.727 1.00 0.00 H new ATOM 0 HA ASN A 15 2.725 20.167 3.204 1.00 0.00 H new ATOM 0 HB2 ASN A 15 4.286 18.226 3.405 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.882 18.936 4.956 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.679 15.155 5.078 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.891 16.282 4.462 1.00 0.00 H new ATOM 230 N ASP A 16 0.584 18.451 1.945 1.00 0.00 N ATOM 231 CA ASP A 16 -0.005 17.897 0.714 1.00 0.00 C ATOM 232 C ASP A 16 0.128 16.375 0.665 1.00 0.00 C ATOM 233 O ASP A 16 0.737 15.805 -0.247 1.00 0.00 O ATOM 234 CB ASP A 16 0.601 18.554 -0.538 1.00 0.00 C ATOM 235 CG ASP A 16 -0.201 18.294 -1.799 1.00 0.00 C ATOM 236 OD1 ASP A 16 -1.326 18.815 -1.909 1.00 0.00 O ATOM 237 OD2 ASP A 16 0.307 17.599 -2.702 1.00 0.00 O ATOM 0 H ASP A 16 -0.108 18.789 2.613 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.070 18.130 0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.673 19.630 -0.377 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.617 18.184 -0.679 1.00 0.00 H new ATOM 242 N HIS A 17 -0.414 15.711 1.678 1.00 0.00 N ATOM 243 CA HIS A 17 -0.402 14.257 1.723 1.00 0.00 C ATOM 244 C HIS A 17 -1.809 13.698 1.936 1.00 0.00 C ATOM 245 O HIS A 17 -2.696 14.386 2.436 1.00 0.00 O ATOM 246 CB HIS A 17 0.572 13.731 2.808 1.00 0.00 C ATOM 247 CG HIS A 17 0.029 13.728 4.216 1.00 0.00 C ATOM 248 ND1 HIS A 17 0.087 14.814 5.050 1.00 0.00 N ATOM 249 CD2 HIS A 17 -0.562 12.744 4.934 1.00 0.00 C ATOM 250 CE1 HIS A 17 -0.442 14.504 6.216 1.00 0.00 C ATOM 251 NE2 HIS A 17 -0.843 13.255 6.174 1.00 0.00 N ATOM 0 H HIS A 17 -0.866 16.156 2.477 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.043 13.905 0.756 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.865 12.714 2.547 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.476 14.339 2.786 1.00 0.00 H new ATOM 0 HD1 HIS A 17 0.480 15.723 4.805 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -0.773 11.741 4.592 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.531 15.167 7.064 1.00 0.00 H new ATOM 260 N ILE A 18 -1.994 12.444 1.564 1.00 0.00 N ATOM 261 CA ILE A 18 -3.274 11.765 1.690 1.00 0.00 C ATOM 262 C ILE A 18 -3.076 10.349 2.224 1.00 0.00 C ATOM 263 O ILE A 18 -1.945 9.856 2.331 1.00 0.00 O ATOM 264 CB ILE A 18 -4.037 11.688 0.331 1.00 0.00 C ATOM 265 CG1 ILE A 18 -3.190 10.969 -0.725 1.00 0.00 C ATOM 266 CG2 ILE A 18 -4.432 13.082 -0.153 1.00 0.00 C ATOM 267 CD1 ILE A 18 -3.947 10.633 -1.997 1.00 0.00 C ATOM 0 H ILE A 18 -1.257 11.864 1.164 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.872 12.351 2.388 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.950 11.113 0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.334 11.595 -0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.795 10.048 -0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.962 13.001 -1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.080 13.554 0.586 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.536 13.687 -0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.280 10.126 -2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.787 9.980 -1.759 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.319 11.551 -2.453 1.00 0.00 H new ATOM 279 N ASN A 19 -4.168 9.699 2.562 1.00 0.00 N ATOM 280 CA ASN A 19 -4.133 8.335 3.067 1.00 0.00 C ATOM 281 C ASN A 19 -4.609 7.376 2.007 1.00 0.00 C ATOM 282 O ASN A 19 -5.590 7.628 1.335 1.00 0.00 O ATOM 283 CB ASN A 19 -4.997 8.213 4.338 1.00 0.00 C ATOM 284 CG ASN A 19 -5.154 6.777 4.839 1.00 0.00 C ATOM 285 OD1 ASN A 19 -6.103 6.083 4.480 1.00 0.00 O ATOM 286 ND2 ASN A 19 -4.238 6.333 5.675 1.00 0.00 N ATOM 0 H ASN A 19 -5.105 10.096 2.497 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.105 8.082 3.325 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.552 8.818 5.128 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.985 8.628 4.137 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.303 5.385 6.046 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.464 6.937 5.951 1.00 0.00 H new ATOM 293 N LEU A 20 -3.889 6.296 1.831 1.00 0.00 N ATOM 294 CA LEU A 20 -4.265 5.271 0.871 1.00 0.00 C ATOM 295 C LEU A 20 -4.312 3.944 1.584 1.00 0.00 C ATOM 296 O LEU A 20 -3.526 3.701 2.512 1.00 0.00 O ATOM 297 CB LEU A 20 -3.271 5.194 -0.314 1.00 0.00 C ATOM 298 CG LEU A 20 -3.159 6.436 -1.226 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.526 6.907 -1.695 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.420 7.554 -0.530 1.00 0.00 C ATOM 0 H LEU A 20 -3.029 6.097 2.343 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.241 5.524 0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.281 4.981 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.552 4.343 -0.935 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.587 6.144 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.410 7.782 -2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.013 6.110 -2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.137 7.168 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.355 8.416 -1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.955 7.834 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.416 7.220 -0.270 1.00 0.00 H new ATOM 312 N LYS A 21 -5.225 3.088 1.196 1.00 0.00 N ATOM 313 CA LYS A 21 -5.360 1.804 1.840 1.00 0.00 C ATOM 314 C LYS A 21 -5.392 0.701 0.812 1.00 0.00 C ATOM 315 O LYS A 21 -5.939 0.854 -0.259 1.00 0.00 O ATOM 316 CB LYS A 21 -6.608 1.772 2.725 1.00 0.00 C ATOM 317 CG LYS A 21 -6.605 2.864 3.785 1.00 0.00 C ATOM 318 CD LYS A 21 -7.802 2.762 4.725 1.00 0.00 C ATOM 319 CE LYS A 21 -9.122 2.964 3.994 1.00 0.00 C ATOM 320 NZ LYS A 21 -10.270 3.053 4.934 1.00 0.00 N ATOM 0 H LYS A 21 -5.886 3.257 0.438 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.493 1.643 2.481 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.494 1.881 2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.678 0.799 3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.684 2.802 4.365 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.610 3.839 3.299 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.801 1.785 5.208 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.707 3.508 5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.070 3.875 3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.283 2.138 3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.161 2.986 4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.218 2.274 5.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.236 3.962 5.438 1.00 0.00 H new ATOM 334 N VAL A 22 -4.813 -0.414 1.146 1.00 0.00 N ATOM 335 CA VAL A 22 -4.713 -1.519 0.224 1.00 0.00 C ATOM 336 C VAL A 22 -5.302 -2.785 0.829 1.00 0.00 C ATOM 337 O VAL A 22 -4.998 -3.139 1.957 1.00 0.00 O ATOM 338 CB VAL A 22 -3.240 -1.752 -0.173 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.388 -1.914 1.044 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.103 -2.944 -1.088 1.00 0.00 C ATOM 0 H VAL A 22 -4.396 -0.588 2.061 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.284 -1.270 -0.670 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.895 -0.874 -0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.353 -2.077 0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.451 -1.013 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.738 -2.770 1.622 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.054 -3.083 -1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.471 -3.836 -0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.684 -2.776 -1.994 1.00 0.00 H new ATOM 350 N ALA A 23 -6.134 -3.467 0.071 1.00 0.00 N ATOM 351 CA ALA A 23 -6.789 -4.670 0.532 1.00 0.00 C ATOM 352 C ALA A 23 -6.465 -5.846 -0.387 1.00 0.00 C ATOM 353 O ALA A 23 -6.423 -5.707 -1.608 1.00 0.00 O ATOM 354 CB ALA A 23 -8.292 -4.453 0.599 1.00 0.00 C ATOM 0 H ALA A 23 -6.375 -3.201 -0.884 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.420 -4.904 1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.776 -5.365 0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.512 -3.639 1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.667 -4.199 -0.392 1.00 0.00 H new ATOM 360 N GLY A 24 -6.222 -6.992 0.199 1.00 0.00 N ATOM 361 CA GLY A 24 -5.919 -8.168 -0.569 1.00 0.00 C ATOM 362 C GLY A 24 -7.008 -9.200 -0.452 1.00 0.00 C ATOM 363 O GLY A 24 -7.797 -9.175 0.501 1.00 0.00 O ATOM 0 H GLY A 24 -6.229 -7.133 1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.786 -7.896 -1.616 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.975 -8.593 -0.228 1.00 0.00 H new ATOM 367 N GLN A 25 -7.052 -10.133 -1.398 1.00 0.00 N ATOM 368 CA GLN A 25 -8.081 -11.182 -1.406 1.00 0.00 C ATOM 369 C GLN A 25 -7.951 -12.051 -0.158 1.00 0.00 C ATOM 370 O GLN A 25 -8.882 -12.743 0.246 1.00 0.00 O ATOM 371 CB GLN A 25 -7.942 -12.081 -2.647 1.00 0.00 C ATOM 372 CG GLN A 25 -7.629 -11.356 -3.954 1.00 0.00 C ATOM 373 CD GLN A 25 -8.621 -10.263 -4.311 1.00 0.00 C ATOM 374 OE1 GLN A 25 -9.657 -10.515 -4.923 1.00 0.00 O ATOM 375 NE2 GLN A 25 -8.277 -9.041 -3.985 1.00 0.00 N ATOM 0 H GLN A 25 -6.390 -10.189 -2.172 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.055 -10.693 -1.424 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.154 -12.810 -2.459 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.869 -12.639 -2.775 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.633 -10.919 -3.885 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -7.602 -12.085 -4.764 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.409 -8.874 -3.477 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.878 -8.257 -4.240 1.00 0.00 H new ATOM 384 N ASP A 26 -6.783 -11.990 0.458 1.00 0.00 N ATOM 385 CA ASP A 26 -6.469 -12.785 1.631 1.00 0.00 C ATOM 386 C ASP A 26 -7.028 -12.164 2.903 1.00 0.00 C ATOM 387 O ASP A 26 -6.689 -12.588 4.006 1.00 0.00 O ATOM 388 CB ASP A 26 -4.954 -12.939 1.761 1.00 0.00 C ATOM 389 CG ASP A 26 -4.301 -13.393 0.476 1.00 0.00 C ATOM 390 OD1 ASP A 26 -3.967 -12.530 -0.355 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.113 -14.618 0.293 1.00 0.00 O ATOM 0 H ASP A 26 -6.021 -11.383 0.156 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.935 -13.762 1.502 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.521 -11.987 2.067 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.732 -13.658 2.550 1.00 0.00 H new ATOM 396 N GLY A 27 -7.884 -11.158 2.769 1.00 0.00 N ATOM 397 CA GLY A 27 -8.463 -10.543 3.943 1.00 0.00 C ATOM 398 C GLY A 27 -7.476 -9.713 4.727 1.00 0.00 C ATOM 399 O GLY A 27 -7.475 -9.735 5.954 1.00 0.00 O ATOM 0 H GLY A 27 -8.184 -10.762 1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.299 -9.912 3.640 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.869 -11.321 4.590 1.00 0.00 H new ATOM 403 N SER A 28 -6.622 -8.991 4.044 1.00 0.00 N ATOM 404 CA SER A 28 -5.642 -8.160 4.717 1.00 0.00 C ATOM 405 C SER A 28 -5.631 -6.760 4.112 1.00 0.00 C ATOM 406 O SER A 28 -5.881 -6.591 2.915 1.00 0.00 O ATOM 407 CB SER A 28 -4.254 -8.802 4.633 1.00 0.00 C ATOM 408 OG SER A 28 -3.336 -8.162 5.505 1.00 0.00 O ATOM 0 H SER A 28 -6.582 -8.959 3.025 1.00 0.00 H new ATOM 0 HA SER A 28 -5.915 -8.075 5.769 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.324 -9.859 4.888 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.886 -8.745 3.609 1.00 0.00 H new ATOM 0 HG SER A 28 -2.420 -8.371 5.226 1.00 0.00 H new ATOM 414 N VAL A 29 -5.355 -5.755 4.936 1.00 0.00 N ATOM 415 CA VAL A 29 -5.349 -4.369 4.488 1.00 0.00 C ATOM 416 C VAL A 29 -4.299 -3.541 5.236 1.00 0.00 C ATOM 417 O VAL A 29 -4.127 -3.676 6.449 1.00 0.00 O ATOM 418 CB VAL A 29 -6.762 -3.720 4.642 1.00 0.00 C ATOM 419 CG1 VAL A 29 -7.329 -3.976 6.022 1.00 0.00 C ATOM 420 CG2 VAL A 29 -6.730 -2.219 4.348 1.00 0.00 C ATOM 0 H VAL A 29 -5.131 -5.877 5.924 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.085 -4.374 3.430 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.415 -4.190 3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.313 -3.514 6.103 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.418 -5.050 6.185 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.665 -3.549 6.773 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.731 -1.804 4.466 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.049 -1.727 5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.387 -2.056 3.326 1.00 0.00 H new ATOM 430 N VAL A 30 -3.574 -2.697 4.503 1.00 0.00 N ATOM 431 CA VAL A 30 -2.563 -1.832 5.098 1.00 0.00 C ATOM 432 C VAL A 30 -2.864 -0.380 4.748 1.00 0.00 C ATOM 433 O VAL A 30 -3.275 -0.080 3.627 1.00 0.00 O ATOM 434 CB VAL A 30 -1.140 -2.177 4.606 1.00 0.00 C ATOM 435 CG1 VAL A 30 -0.093 -1.580 5.536 1.00 0.00 C ATOM 436 CG2 VAL A 30 -0.960 -3.679 4.476 1.00 0.00 C ATOM 0 H VAL A 30 -3.671 -2.596 3.493 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.597 -1.986 6.177 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.005 -1.739 3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.903 -1.834 5.173 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.205 -0.496 5.562 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.227 -1.982 6.540 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.050 -3.896 4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.118 -4.150 5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.682 -4.071 3.760 1.00 0.00 H new ATOM 446 N GLN A 31 -2.716 0.518 5.711 1.00 0.00 N ATOM 447 CA GLN A 31 -2.978 1.931 5.478 1.00 0.00 C ATOM 448 C GLN A 31 -1.673 2.730 5.438 1.00 0.00 C ATOM 449 O GLN A 31 -0.756 2.479 6.219 1.00 0.00 O ATOM 450 CB GLN A 31 -3.911 2.501 6.559 1.00 0.00 C ATOM 451 CG GLN A 31 -5.230 1.744 6.737 1.00 0.00 C ATOM 452 CD GLN A 31 -5.150 0.596 7.729 1.00 0.00 C ATOM 453 OE1 GLN A 31 -4.910 -0.601 7.234 1.00 0.00 O flip ATOM 454 NE2 GLN A 31 -5.341 0.785 8.929 1.00 0.00 N flip ATOM 0 H GLN A 31 -2.416 0.294 6.660 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.470 2.021 4.510 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.380 2.505 7.511 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.135 3.539 6.314 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.998 2.444 7.067 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.548 1.354 5.770 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.524 1.727 9.274 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.317 -0.000 9.579 1.00 0.00 H new ATOM 463 N PHE A 32 -1.593 3.703 4.530 1.00 0.00 N ATOM 464 CA PHE A 32 -0.373 4.503 4.364 1.00 0.00 C ATOM 465 C PHE A 32 -0.693 5.988 4.278 1.00 0.00 C ATOM 466 O PHE A 32 -1.822 6.380 3.977 1.00 0.00 O ATOM 467 CB PHE A 32 0.370 4.094 3.086 1.00 0.00 C ATOM 468 CG PHE A 32 0.550 2.620 2.923 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.465 1.852 2.388 1.00 0.00 C ATOM 470 CD2 PHE A 32 1.732 2.000 3.293 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.311 0.505 2.227 1.00 0.00 C ATOM 472 CE2 PHE A 32 1.891 0.639 3.131 1.00 0.00 C ATOM 473 CZ PHE A 32 0.863 -0.110 2.595 1.00 0.00 C ATOM 0 H PHE A 32 -2.353 3.958 3.899 1.00 0.00 H new ATOM 0 HA PHE A 32 0.253 4.318 5.237 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.175 4.479 2.224 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.350 4.570 3.082 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.392 2.322 2.093 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.536 2.587 3.712 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.116 -0.081 1.808 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.815 0.162 3.422 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.980 -1.176 2.465 1.00 0.00 H new HETATM 483 OH ALY A 33 -3.549 12.007 4.973 1.00 0.00 O HETATM 484 CH ALY A 33 -4.179 11.587 5.941 1.00 0.00 C HETATM 485 CH3 ALY A 33 -5.518 12.150 6.314 1.00 0.00 C HETATM 486 NZ ALY A 33 -3.740 10.586 6.688 1.00 0.00 N HETATM 487 CE ALY A 33 -2.331 10.249 6.845 1.00 0.00 C HETATM 488 CD ALY A 33 -2.078 8.779 6.579 1.00 0.00 C HETATM 489 CG ALY A 33 -0.638 8.385 6.879 1.00 0.00 C HETATM 490 CB ALY A 33 0.332 8.913 5.824 1.00 0.00 C HETATM 491 CA ALY A 33 0.181 8.263 4.435 1.00 0.00 C HETATM 492 N ALY A 33 0.312 6.815 4.530 1.00 0.00 N HETATM 493 C ALY A 33 1.259 8.800 3.498 1.00 0.00 C HETATM 494 O ALY A 33 2.405 8.985 3.899 1.00 0.00 O HETATM 0 HH33 ALY A 33 -5.418 13.214 6.528 1.00 0.00 H new HETATM 0 HH32 ALY A 33 -6.215 12.010 5.487 1.00 0.00 H new HETATM 0 HH31 ALY A 33 -5.896 11.636 7.198 1.00 0.00 H new HETATM 0 HZ ALY A 33 -4.428 10.018 7.182 1.00 0.00 H new HETATM 0 HG3 ALY A 33 -0.562 7.299 6.930 1.00 0.00 H new HETATM 0 HG2 ALY A 33 -0.353 8.770 7.858 1.00 0.00 H new HETATM 0 HE3 ALY A 33 -2.007 10.498 7.855 1.00 0.00 H new HETATM 0 HE2 ALY A 33 -1.733 10.852 6.161 1.00 0.00 H new HETATM 0 HD3 ALY A 33 -2.306 8.555 5.537 1.00 0.00 H new HETATM 0 HD2 ALY A 33 -2.753 8.179 7.189 1.00 0.00 H new HETATM 0 HCA ALY A 33 -0.807 8.506 4.045 1.00 0.00 H new HETATM 0 HB3 ALY A 33 1.352 8.757 6.176 1.00 0.00 H new HETATM 0 HB2 ALY A 33 0.191 9.989 5.725 1.00 0.00 H new ATOM 509 N ILE A 34 0.907 9.025 2.240 1.00 0.00 N ATOM 510 CA ILE A 34 1.876 9.503 1.253 1.00 0.00 C ATOM 511 C ILE A 34 1.349 10.739 0.555 1.00 0.00 C ATOM 512 O ILE A 34 0.252 11.189 0.828 1.00 0.00 O ATOM 513 CB ILE A 34 2.228 8.424 0.189 1.00 0.00 C ATOM 514 CG1 ILE A 34 1.057 8.202 -0.772 1.00 0.00 C ATOM 515 CG2 ILE A 34 2.612 7.118 0.867 1.00 0.00 C ATOM 516 CD1 ILE A 34 1.377 7.266 -1.918 1.00 0.00 C ATOM 0 H ILE A 34 -0.036 8.886 1.876 1.00 0.00 H new ATOM 0 HA ILE A 34 2.788 9.740 1.800 1.00 0.00 H new ATOM 0 HB ILE A 34 3.080 8.782 -0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.211 7.801 -0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.744 9.164 -1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.856 6.373 0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.479 7.282 1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.777 6.762 1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.499 7.158 -2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.202 7.674 -2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.660 6.291 -1.523 1.00 0.00 H new ATOM 528 N LYS A 35 2.123 11.290 -0.348 1.00 0.00 N ATOM 529 CA LYS A 35 1.724 12.481 -1.050 1.00 0.00 C ATOM 530 C LYS A 35 1.073 12.118 -2.376 1.00 0.00 C ATOM 531 O LYS A 35 1.395 11.098 -2.978 1.00 0.00 O ATOM 532 CB LYS A 35 2.932 13.368 -1.269 1.00 0.00 C ATOM 533 CG LYS A 35 3.707 13.664 0.007 1.00 0.00 C ATOM 534 CD LYS A 35 5.176 13.938 -0.282 1.00 0.00 C ATOM 535 CE LYS A 35 5.442 15.370 -0.727 1.00 0.00 C ATOM 536 NZ LYS A 35 4.550 15.830 -1.828 1.00 0.00 N ATOM 0 H LYS A 35 3.039 10.928 -0.614 1.00 0.00 H new ATOM 0 HA LYS A 35 0.992 13.025 -0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.599 12.890 -1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.607 14.309 -1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.267 14.526 0.509 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.621 12.819 0.690 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.761 13.728 0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.521 13.253 -1.057 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.322 16.035 0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.479 15.453 -1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.965 16.668 -2.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.445 15.070 -2.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.617 16.074 -1.440 1.00 0.00 H new ATOM 550 N ARG A 36 0.168 12.962 -2.839 1.00 0.00 N ATOM 551 CA ARG A 36 -0.575 12.716 -4.073 1.00 0.00 C ATOM 552 C ARG A 36 0.335 12.763 -5.302 1.00 0.00 C ATOM 553 O ARG A 36 0.045 12.156 -6.327 1.00 0.00 O ATOM 554 CB ARG A 36 -1.676 13.746 -4.223 1.00 0.00 C ATOM 555 CG ARG A 36 -1.163 15.158 -4.140 1.00 0.00 C ATOM 556 CD ARG A 36 -2.121 16.135 -4.741 1.00 0.00 C ATOM 557 NE ARG A 36 -1.580 17.488 -4.695 1.00 0.00 N ATOM 558 CZ ARG A 36 -1.944 18.490 -5.498 1.00 0.00 C ATOM 559 NH1 ARG A 36 -2.819 18.284 -6.481 1.00 0.00 N ATOM 560 NH2 ARG A 36 -1.417 19.694 -5.326 1.00 0.00 N ATOM 0 H ARG A 36 -0.076 13.837 -2.375 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.004 11.716 -4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.176 13.601 -5.181 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.424 13.589 -3.446 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.985 15.419 -3.097 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.204 15.227 -4.654 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.330 15.857 -5.774 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.069 16.099 -4.203 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.866 17.685 -3.993 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.216 17.355 -6.624 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.092 19.055 -7.090 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.737 19.851 -4.583 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.692 20.463 -5.937 1.00 0.00 H new ATOM 574 N HIS A 37 1.448 13.456 -5.192 1.00 0.00 N ATOM 575 CA HIS A 37 2.352 13.624 -6.323 1.00 0.00 C ATOM 576 C HIS A 37 3.545 12.699 -6.146 1.00 0.00 C ATOM 577 O HIS A 37 4.490 12.680 -6.941 1.00 0.00 O ATOM 578 CB HIS A 37 2.794 15.089 -6.399 1.00 0.00 C ATOM 579 CG HIS A 37 3.574 15.448 -7.629 1.00 0.00 C ATOM 580 ND1 HIS A 37 4.607 16.358 -7.626 1.00 0.00 N ATOM 581 CD2 HIS A 37 3.445 15.039 -8.914 1.00 0.00 C ATOM 582 CE1 HIS A 37 5.076 16.492 -8.850 1.00 0.00 C ATOM 583 NE2 HIS A 37 4.389 15.703 -9.650 1.00 0.00 N ATOM 0 H HIS A 37 1.754 13.914 -4.334 1.00 0.00 H new ATOM 0 HA HIS A 37 1.850 13.367 -7.256 1.00 0.00 H new ATOM 0 HB2 HIS A 37 1.909 15.724 -6.349 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.400 15.317 -5.522 1.00 0.00 H new ATOM 0 HD2 HIS A 37 2.730 14.322 -9.288 1.00 0.00 H new ATOM 0 HE1 HIS A 37 5.887 17.140 -9.147 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.536 15.603 -10.654 1.00 0.00 H new ATOM 592 N THR A 38 3.482 11.930 -5.096 1.00 0.00 N ATOM 593 CA THR A 38 4.494 10.990 -4.735 1.00 0.00 C ATOM 594 C THR A 38 4.133 9.598 -5.259 1.00 0.00 C ATOM 595 O THR A 38 2.979 9.197 -5.197 1.00 0.00 O ATOM 596 CB THR A 38 4.619 10.991 -3.203 1.00 0.00 C ATOM 597 OG1 THR A 38 5.423 12.095 -2.789 1.00 0.00 O ATOM 598 CG2 THR A 38 5.176 9.701 -2.646 1.00 0.00 C ATOM 0 H THR A 38 2.695 11.944 -4.448 1.00 0.00 H new ATOM 0 HA THR A 38 5.450 11.267 -5.179 1.00 0.00 H new ATOM 0 HB THR A 38 3.610 11.087 -2.802 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.156 11.772 -2.224 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.237 9.770 -1.560 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.522 8.874 -2.920 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.171 9.528 -3.055 1.00 0.00 H new ATOM 606 N PRO A 39 5.119 8.855 -5.799 1.00 0.00 N ATOM 607 CA PRO A 39 4.891 7.518 -6.357 1.00 0.00 C ATOM 608 C PRO A 39 4.308 6.558 -5.328 1.00 0.00 C ATOM 609 O PRO A 39 4.895 6.323 -4.264 1.00 0.00 O ATOM 610 CB PRO A 39 6.295 7.062 -6.786 1.00 0.00 C ATOM 611 CG PRO A 39 7.217 7.918 -5.997 1.00 0.00 C ATOM 612 CD PRO A 39 6.533 9.243 -5.893 1.00 0.00 C ATOM 0 HA PRO A 39 4.170 7.534 -7.174 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.453 6.005 -6.572 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.447 7.196 -7.857 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.402 7.492 -5.011 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.185 8.012 -6.490 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.861 9.803 -5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.726 9.870 -6.763 1.00 0.00 H new ATOM 620 N LEU A 40 3.152 5.999 -5.640 1.00 0.00 N ATOM 621 CA LEU A 40 2.477 5.074 -4.741 1.00 0.00 C ATOM 622 C LEU A 40 3.221 3.752 -4.651 1.00 0.00 C ATOM 623 O LEU A 40 2.977 2.941 -3.761 1.00 0.00 O ATOM 624 CB LEU A 40 1.008 4.865 -5.135 1.00 0.00 C ATOM 625 CG LEU A 40 0.693 3.877 -6.271 1.00 0.00 C ATOM 626 CD1 LEU A 40 -0.791 3.898 -6.579 1.00 0.00 C ATOM 627 CD2 LEU A 40 1.503 4.158 -7.525 1.00 0.00 C ATOM 0 H LEU A 40 2.657 6.170 -6.515 1.00 0.00 H new ATOM 0 HA LEU A 40 2.481 5.525 -3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.469 4.534 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.597 5.835 -5.414 1.00 0.00 H new ATOM 0 HG LEU A 40 0.978 2.882 -5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.005 3.196 -7.384 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.351 3.612 -5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.085 4.902 -6.885 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.243 3.433 -8.296 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.282 5.163 -7.883 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.566 4.080 -7.297 1.00 0.00 H new ATOM 639 N SER A 41 4.113 3.528 -5.605 1.00 0.00 N ATOM 640 CA SER A 41 4.943 2.331 -5.656 1.00 0.00 C ATOM 641 C SER A 41 5.642 2.076 -4.323 1.00 0.00 C ATOM 642 O SER A 41 5.905 0.930 -3.959 1.00 0.00 O ATOM 643 CB SER A 41 5.969 2.468 -6.773 1.00 0.00 C ATOM 644 OG SER A 41 6.517 3.774 -6.800 1.00 0.00 O ATOM 0 H SER A 41 4.283 4.177 -6.373 1.00 0.00 H new ATOM 0 HA SER A 41 4.297 1.476 -5.857 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.766 1.738 -6.631 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.500 2.246 -7.732 1.00 0.00 H new ATOM 0 HG SER A 41 6.479 4.126 -7.714 1.00 0.00 H new ATOM 650 N LYS A 42 5.927 3.147 -3.588 1.00 0.00 N ATOM 651 CA LYS A 42 6.543 3.035 -2.278 1.00 0.00 C ATOM 652 C LYS A 42 5.647 2.235 -1.349 1.00 0.00 C ATOM 653 O LYS A 42 6.091 1.307 -0.681 1.00 0.00 O ATOM 654 CB LYS A 42 6.803 4.417 -1.685 1.00 0.00 C ATOM 655 CG LYS A 42 7.753 5.255 -2.508 1.00 0.00 C ATOM 656 CD LYS A 42 8.033 6.589 -1.850 1.00 0.00 C ATOM 657 CE LYS A 42 9.072 7.352 -2.628 1.00 0.00 C ATOM 658 NZ LYS A 42 9.491 8.606 -1.945 1.00 0.00 N ATOM 0 H LYS A 42 5.738 4.105 -3.883 1.00 0.00 H new ATOM 0 HA LYS A 42 7.497 2.520 -2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.855 4.946 -1.587 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.209 4.302 -0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.689 4.714 -2.647 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.329 5.419 -3.499 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.114 7.172 -1.790 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.378 6.432 -0.828 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.945 6.717 -2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.677 7.594 -3.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.207 9.093 -2.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.666 9.226 -1.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.894 8.376 -1.014 1.00 0.00 H new ATOM 672 N LEU A 43 4.367 2.585 -1.327 1.00 0.00 N ATOM 673 CA LEU A 43 3.409 1.873 -0.486 1.00 0.00 C ATOM 674 C LEU A 43 3.182 0.471 -1.028 1.00 0.00 C ATOM 675 O LEU A 43 3.040 -0.483 -0.268 1.00 0.00 O ATOM 676 CB LEU A 43 2.061 2.648 -0.351 1.00 0.00 C ATOM 677 CG LEU A 43 1.004 2.454 -1.466 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.197 1.170 -1.265 1.00 0.00 C ATOM 679 CD2 LEU A 43 0.063 3.639 -1.520 1.00 0.00 C ATOM 0 H LEU A 43 3.970 3.348 -1.875 1.00 0.00 H new ATOM 0 HA LEU A 43 3.832 1.800 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.604 2.364 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.291 3.712 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 43 1.544 2.375 -2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.534 1.070 -2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.869 0.312 -1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.320 1.212 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.672 3.484 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.448 3.741 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.631 4.546 -1.727 1.00 0.00 H new ATOM 691 N MET A 44 3.152 0.339 -2.359 1.00 0.00 N ATOM 692 CA MET A 44 2.924 -0.956 -2.982 1.00 0.00 C ATOM 693 C MET A 44 4.023 -1.942 -2.623 1.00 0.00 C ATOM 694 O MET A 44 3.752 -3.082 -2.245 1.00 0.00 O ATOM 695 CB MET A 44 2.786 -0.836 -4.501 1.00 0.00 C ATOM 696 CG MET A 44 1.597 0.005 -4.946 1.00 0.00 C ATOM 697 SD MET A 44 1.162 -0.255 -6.678 1.00 0.00 S ATOM 698 CE MET A 44 2.686 0.189 -7.498 1.00 0.00 C ATOM 0 H MET A 44 3.282 1.109 -3.015 1.00 0.00 H new ATOM 0 HA MET A 44 1.981 -1.337 -2.590 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.699 -0.400 -4.906 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.693 -1.835 -4.928 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.736 -0.232 -4.321 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.825 1.059 -4.788 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.634 -0.106 -8.546 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.835 1.267 -7.431 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.520 -0.323 -7.018 1.00 0.00 H new ATOM 708 N LYS A 45 5.275 -1.510 -2.724 1.00 0.00 N ATOM 709 CA LYS A 45 6.386 -2.372 -2.368 1.00 0.00 C ATOM 710 C LYS A 45 6.390 -2.647 -0.882 1.00 0.00 C ATOM 711 O LYS A 45 6.650 -3.767 -0.449 1.00 0.00 O ATOM 712 CB LYS A 45 7.724 -1.780 -2.796 1.00 0.00 C ATOM 713 CG LYS A 45 7.925 -1.727 -4.302 1.00 0.00 C ATOM 714 CD LYS A 45 9.400 -1.650 -4.656 1.00 0.00 C ATOM 715 CE LYS A 45 10.111 -2.965 -4.347 1.00 0.00 C ATOM 716 NZ LYS A 45 11.578 -2.846 -4.494 1.00 0.00 N ATOM 0 H LYS A 45 5.540 -0.579 -3.046 1.00 0.00 H new ATOM 0 HA LYS A 45 6.252 -3.311 -2.904 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.808 -0.771 -2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.528 -2.368 -2.353 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.483 -2.611 -4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.404 -0.861 -4.711 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.511 -1.413 -5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.869 -0.840 -4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.872 -3.277 -3.330 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.741 -3.743 -5.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.024 -3.760 -4.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.808 -2.573 -5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.935 -2.121 -3.839 1.00 0.00 H new ATOM 730 N ALA A 46 6.050 -1.635 -0.095 1.00 0.00 N ATOM 731 CA ALA A 46 6.010 -1.783 1.349 1.00 0.00 C ATOM 732 C ALA A 46 4.970 -2.821 1.735 1.00 0.00 C ATOM 733 O ALA A 46 5.144 -3.570 2.694 1.00 0.00 O ATOM 734 CB ALA A 46 5.705 -0.450 2.016 1.00 0.00 C ATOM 0 H ALA A 46 5.799 -0.706 -0.433 1.00 0.00 H new ATOM 0 HA ALA A 46 6.988 -2.119 1.693 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.679 -0.582 3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.479 0.272 1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.738 -0.084 1.672 1.00 0.00 H new ATOM 740 N TYR A 47 3.884 -2.868 0.970 1.00 0.00 N ATOM 741 CA TYR A 47 2.831 -3.836 1.183 1.00 0.00 C ATOM 742 C TYR A 47 3.353 -5.251 0.993 1.00 0.00 C ATOM 743 O TYR A 47 3.285 -6.067 1.897 1.00 0.00 O ATOM 744 CB TYR A 47 1.664 -3.578 0.222 1.00 0.00 C ATOM 745 CG TYR A 47 0.557 -4.620 0.283 1.00 0.00 C ATOM 746 CD1 TYR A 47 -0.509 -4.471 1.148 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.584 -5.747 -0.533 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.524 -5.406 1.204 1.00 0.00 C ATOM 749 CE2 TYR A 47 -0.425 -6.690 -0.484 1.00 0.00 C ATOM 750 CZ TYR A 47 -1.479 -6.513 0.386 1.00 0.00 C ATOM 751 OH TYR A 47 -2.492 -7.443 0.439 1.00 0.00 O ATOM 0 H TYR A 47 3.716 -2.235 0.188 1.00 0.00 H new ATOM 0 HA TYR A 47 2.477 -3.730 2.208 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.238 -2.599 0.442 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.050 -3.535 -0.796 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.550 -3.606 1.794 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.408 -5.887 -1.217 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.350 -5.270 1.887 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.388 -7.560 -1.123 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.310 -8.162 -0.202 1.00 0.00 H new ATOM 761 N CYS A 48 3.919 -5.535 -0.170 1.00 0.00 N ATOM 762 CA CYS A 48 4.382 -6.880 -0.470 1.00 0.00 C ATOM 763 C CYS A 48 5.536 -7.290 0.439 1.00 0.00 C ATOM 764 O CYS A 48 5.611 -8.436 0.885 1.00 0.00 O ATOM 765 CB CYS A 48 4.774 -7.009 -1.951 1.00 0.00 C ATOM 766 SG CYS A 48 6.061 -5.864 -2.509 1.00 0.00 S ATOM 0 H CYS A 48 4.068 -4.857 -0.917 1.00 0.00 H new ATOM 0 HA CYS A 48 3.555 -7.563 -0.278 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.113 -8.029 -2.133 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.884 -6.855 -2.561 1.00 0.00 H new ATOM 0 HG CYS A 48 6.505 -5.183 -1.495 1.00 0.00 H new ATOM 772 N GLU A 49 6.411 -6.347 0.755 1.00 0.00 N ATOM 773 CA GLU A 49 7.564 -6.631 1.585 1.00 0.00 C ATOM 774 C GLU A 49 7.165 -6.894 3.040 1.00 0.00 C ATOM 775 O GLU A 49 7.824 -7.656 3.742 1.00 0.00 O ATOM 776 CB GLU A 49 8.601 -5.503 1.482 1.00 0.00 C ATOM 777 CG GLU A 49 9.236 -5.401 0.096 1.00 0.00 C ATOM 778 CD GLU A 49 10.348 -4.370 0.009 1.00 0.00 C ATOM 779 OE1 GLU A 49 11.365 -4.524 0.726 1.00 0.00 O ATOM 780 OE2 GLU A 49 10.219 -3.410 -0.783 1.00 0.00 O ATOM 0 H GLU A 49 6.341 -5.377 0.447 1.00 0.00 H new ATOM 0 HA GLU A 49 8.024 -7.546 1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.124 -4.554 1.728 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.383 -5.667 2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.634 -6.376 -0.184 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.463 -5.151 -0.631 1.00 0.00 H new ATOM 787 N ARG A 50 6.076 -6.281 3.496 1.00 0.00 N ATOM 788 CA ARG A 50 5.613 -6.502 4.868 1.00 0.00 C ATOM 789 C ARG A 50 4.639 -7.684 4.939 1.00 0.00 C ATOM 790 O ARG A 50 4.560 -8.378 5.945 1.00 0.00 O ATOM 791 CB ARG A 50 4.947 -5.238 5.449 1.00 0.00 C ATOM 792 CG ARG A 50 3.547 -4.951 4.904 1.00 0.00 C ATOM 793 CD ARG A 50 2.912 -3.741 5.584 1.00 0.00 C ATOM 794 NE ARG A 50 2.900 -3.870 7.045 1.00 0.00 N ATOM 795 CZ ARG A 50 3.610 -3.102 7.888 1.00 0.00 C ATOM 796 NH1 ARG A 50 4.429 -2.162 7.417 1.00 0.00 N ATOM 797 NH2 ARG A 50 3.504 -3.286 9.195 1.00 0.00 N ATOM 0 H ARG A 50 5.504 -5.638 2.949 1.00 0.00 H new ATOM 0 HA ARG A 50 6.492 -6.735 5.469 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.887 -5.340 6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.586 -4.379 5.244 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.604 -4.776 3.830 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.913 -5.825 5.052 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.459 -2.841 5.305 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.891 -3.618 5.223 1.00 0.00 H new ATOM 0 HE ARG A 50 2.309 -4.596 7.451 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.520 -2.022 6.411 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.965 -1.582 8.063 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.884 -4.010 9.560 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.042 -2.704 9.837 1.00 0.00 H new ATOM 811 N GLN A 51 3.887 -7.906 3.867 1.00 0.00 N ATOM 812 CA GLN A 51 2.900 -8.979 3.832 1.00 0.00 C ATOM 813 C GLN A 51 3.525 -10.318 3.540 1.00 0.00 C ATOM 814 O GLN A 51 2.969 -11.363 3.879 1.00 0.00 O ATOM 815 CB GLN A 51 1.833 -8.676 2.795 1.00 0.00 C ATOM 816 CG GLN A 51 0.982 -7.494 3.155 1.00 0.00 C ATOM 817 CD GLN A 51 0.168 -7.724 4.412 1.00 0.00 C ATOM 818 OE1 GLN A 51 -0.971 -8.162 4.351 1.00 0.00 O ATOM 819 NE2 GLN A 51 0.764 -7.460 5.560 1.00 0.00 N ATOM 0 H GLN A 51 3.942 -7.356 3.009 1.00 0.00 H new ATOM 0 HA GLN A 51 2.448 -9.033 4.822 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.311 -8.492 1.833 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.195 -9.551 2.672 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.619 -6.621 3.294 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.310 -7.269 2.327 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.716 -7.095 5.568 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.272 -7.621 6.439 1.00 0.00 H new ATOM 828 N GLY A 52 4.678 -10.303 2.932 1.00 0.00 N ATOM 829 CA GLY A 52 5.315 -11.536 2.572 1.00 0.00 C ATOM 830 C GLY A 52 4.891 -11.980 1.193 1.00 0.00 C ATOM 831 O GLY A 52 4.667 -13.162 0.946 1.00 0.00 O ATOM 0 H GLY A 52 5.191 -9.459 2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.398 -11.413 2.602 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.062 -12.307 3.300 1.00 0.00 H new ATOM 835 N LEU A 53 4.781 -11.023 0.285 1.00 0.00 N ATOM 836 CA LEU A 53 4.406 -11.295 -1.087 1.00 0.00 C ATOM 837 C LEU A 53 5.438 -10.704 -2.025 1.00 0.00 C ATOM 838 O LEU A 53 6.274 -9.900 -1.617 1.00 0.00 O ATOM 839 CB LEU A 53 3.032 -10.716 -1.420 1.00 0.00 C ATOM 840 CG LEU A 53 1.816 -11.500 -0.932 1.00 0.00 C ATOM 841 CD1 LEU A 53 1.903 -12.967 -1.333 1.00 0.00 C ATOM 842 CD2 LEU A 53 1.620 -11.354 0.558 1.00 0.00 C ATOM 0 H LEU A 53 4.950 -10.037 0.482 1.00 0.00 H new ATOM 0 HA LEU A 53 4.360 -12.377 -1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.977 -9.710 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.959 -10.616 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 53 0.940 -11.073 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.022 -13.496 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.951 -13.045 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.798 -13.411 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.745 -11.926 0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.501 -11.728 1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.472 -10.303 0.804 1.00 0.00 H new ATOM 854 N SER A 54 5.397 -11.094 -3.274 1.00 0.00 N ATOM 855 CA SER A 54 6.317 -10.575 -4.255 1.00 0.00 C ATOM 856 C SER A 54 5.565 -9.865 -5.375 1.00 0.00 C ATOM 857 O SER A 54 4.412 -10.179 -5.648 1.00 0.00 O ATOM 858 CB SER A 54 7.157 -11.714 -4.816 1.00 0.00 C ATOM 859 OG SER A 54 7.974 -12.287 -3.809 1.00 0.00 O ATOM 0 H SER A 54 4.730 -11.775 -3.638 1.00 0.00 H new ATOM 0 HA SER A 54 6.973 -9.848 -3.777 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.504 -12.478 -5.238 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.782 -11.344 -5.629 1.00 0.00 H new ATOM 0 HG SER A 54 8.503 -13.017 -4.193 1.00 0.00 H new ATOM 865 N MET A 55 6.220 -8.902 -6.026 1.00 0.00 N ATOM 866 CA MET A 55 5.609 -8.149 -7.134 1.00 0.00 C ATOM 867 C MET A 55 5.234 -9.056 -8.308 1.00 0.00 C ATOM 868 O MET A 55 4.353 -8.739 -9.097 1.00 0.00 O ATOM 869 CB MET A 55 6.537 -7.029 -7.599 1.00 0.00 C ATOM 870 CG MET A 55 6.450 -5.802 -6.733 1.00 0.00 C ATOM 871 SD MET A 55 4.784 -5.130 -6.696 1.00 0.00 S ATOM 872 CE MET A 55 4.943 -3.954 -5.379 1.00 0.00 C ATOM 0 H MET A 55 7.176 -8.621 -5.808 1.00 0.00 H new ATOM 0 HA MET A 55 4.686 -7.709 -6.755 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.564 -7.393 -7.603 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.289 -6.761 -8.626 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.765 -6.049 -5.719 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.140 -5.044 -7.105 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.141 -4.106 -4.657 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.906 -4.088 -4.886 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.880 -2.944 -5.784 1.00 0.00 H new ATOM 882 N ARG A 56 5.922 -10.174 -8.433 1.00 0.00 N ATOM 883 CA ARG A 56 5.609 -11.152 -9.470 1.00 0.00 C ATOM 884 C ARG A 56 4.502 -12.095 -8.997 1.00 0.00 C ATOM 885 O ARG A 56 3.917 -12.840 -9.776 1.00 0.00 O ATOM 886 CB ARG A 56 6.861 -11.958 -9.879 1.00 0.00 C ATOM 887 CG ARG A 56 7.636 -12.568 -8.713 1.00 0.00 C ATOM 888 CD ARG A 56 8.834 -11.706 -8.318 1.00 0.00 C ATOM 889 NE ARG A 56 9.882 -11.725 -9.341 1.00 0.00 N ATOM 890 CZ ARG A 56 10.920 -10.879 -9.390 1.00 0.00 C ATOM 891 NH1 ARG A 56 11.023 -9.884 -8.514 1.00 0.00 N ATOM 892 NH2 ARG A 56 11.845 -11.019 -10.332 1.00 0.00 N ATOM 0 H ARG A 56 6.704 -10.433 -7.831 1.00 0.00 H new ATOM 0 HA ARG A 56 5.259 -10.608 -10.347 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.557 -12.758 -10.554 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.530 -11.305 -10.440 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.973 -12.684 -7.856 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.980 -13.565 -8.987 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.505 -10.680 -8.155 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.243 -12.064 -7.373 1.00 0.00 H new ATOM 0 HE ARG A 56 9.817 -12.435 -10.070 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.308 -9.760 -7.797 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.817 -9.245 -8.559 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.765 -11.770 -11.018 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.635 -10.376 -10.370 1.00 0.00 H new ATOM 906 N GLN A 57 4.232 -12.057 -7.704 1.00 0.00 N ATOM 907 CA GLN A 57 3.238 -12.922 -7.085 1.00 0.00 C ATOM 908 C GLN A 57 1.877 -12.251 -6.982 1.00 0.00 C ATOM 909 O GLN A 57 0.842 -12.916 -6.984 1.00 0.00 O ATOM 910 CB GLN A 57 3.715 -13.352 -5.690 1.00 0.00 C ATOM 911 CG GLN A 57 4.426 -14.695 -5.659 1.00 0.00 C ATOM 912 CD GLN A 57 5.662 -14.736 -6.529 1.00 0.00 C ATOM 913 OE1 GLN A 57 6.766 -14.466 -6.070 1.00 0.00 O ATOM 914 NE2 GLN A 57 5.483 -15.039 -7.794 1.00 0.00 N ATOM 0 H GLN A 57 4.695 -11.425 -7.051 1.00 0.00 H new ATOM 0 HA GLN A 57 3.124 -13.798 -7.724 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.387 -12.589 -5.297 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.855 -13.394 -5.022 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.705 -14.927 -4.631 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.735 -15.472 -5.985 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.548 -15.258 -8.139 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.279 -15.055 -8.432 1.00 0.00 H new ATOM 923 N ILE A 58 1.866 -10.942 -6.888 1.00 0.00 N ATOM 924 CA ILE A 58 0.615 -10.213 -6.735 1.00 0.00 C ATOM 925 C ILE A 58 0.553 -9.034 -7.676 1.00 0.00 C ATOM 926 O ILE A 58 1.509 -8.732 -8.378 1.00 0.00 O ATOM 927 CB ILE A 58 0.423 -9.699 -5.288 1.00 0.00 C ATOM 928 CG1 ILE A 58 1.415 -8.564 -4.991 1.00 0.00 C ATOM 929 CG2 ILE A 58 0.589 -10.839 -4.293 1.00 0.00 C ATOM 930 CD1 ILE A 58 1.378 -8.062 -3.562 1.00 0.00 C ATOM 0 H ILE A 58 2.701 -10.357 -6.914 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.183 -10.917 -6.973 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.588 -9.305 -5.187 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.424 -8.911 -5.216 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.207 -7.731 -5.662 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.451 -10.461 -3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.153 -11.611 -4.497 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.589 -11.263 -4.389 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.108 -7.262 -3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.382 -7.682 -3.336 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.617 -8.880 -2.883 1.00 0.00 H new ATOM 942 N ARG A 59 -0.579 -8.367 -7.683 1.00 0.00 N ATOM 943 CA ARG A 59 -0.783 -7.191 -8.504 1.00 0.00 C ATOM 944 C ARG A 59 -1.760 -6.242 -7.849 1.00 0.00 C ATOM 945 O ARG A 59 -2.709 -6.665 -7.191 1.00 0.00 O ATOM 946 CB ARG A 59 -1.263 -7.562 -9.912 1.00 0.00 C ATOM 947 CG ARG A 59 -0.137 -7.848 -10.896 1.00 0.00 C ATOM 948 CD ARG A 59 0.756 -6.630 -11.067 1.00 0.00 C ATOM 949 NE ARG A 59 1.799 -6.847 -12.069 1.00 0.00 N ATOM 950 CZ ARG A 59 2.404 -5.870 -12.752 1.00 0.00 C ATOM 951 NH1 ARG A 59 2.037 -4.598 -12.579 1.00 0.00 N ATOM 952 NH2 ARG A 59 3.368 -6.165 -13.611 1.00 0.00 N ATOM 0 H ARG A 59 -1.388 -8.624 -7.118 1.00 0.00 H new ATOM 0 HA ARG A 59 0.180 -6.690 -8.600 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.905 -8.440 -9.846 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.874 -6.748 -10.302 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.456 -8.691 -10.542 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.556 -8.135 -11.861 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.148 -5.773 -11.358 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.218 -6.383 -10.111 1.00 0.00 H new ATOM 0 HE ARG A 59 2.084 -7.808 -12.259 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.291 -4.367 -11.923 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.503 -3.857 -13.103 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.647 -7.136 -13.750 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.831 -5.421 -14.133 1.00 0.00 H new ATOM 966 N PHE A 60 -1.516 -4.957 -8.020 1.00 0.00 N ATOM 967 CA PHE A 60 -2.358 -3.921 -7.454 1.00 0.00 C ATOM 968 C PHE A 60 -3.261 -3.341 -8.528 1.00 0.00 C ATOM 969 O PHE A 60 -2.845 -3.166 -9.678 1.00 0.00 O ATOM 970 CB PHE A 60 -1.492 -2.806 -6.857 1.00 0.00 C ATOM 971 CG PHE A 60 -0.615 -3.245 -5.717 1.00 0.00 C ATOM 972 CD1 PHE A 60 0.496 -4.043 -5.942 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.900 -2.855 -4.422 1.00 0.00 C ATOM 974 CE1 PHE A 60 1.301 -4.444 -4.900 1.00 0.00 C ATOM 975 CE2 PHE A 60 -0.097 -3.251 -3.373 1.00 0.00 C ATOM 976 CZ PHE A 60 1.005 -4.049 -3.613 1.00 0.00 C ATOM 0 H PHE A 60 -0.725 -4.601 -8.557 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.971 -4.360 -6.667 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.863 -2.390 -7.644 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.143 -2.003 -6.511 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.733 -4.354 -6.949 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.762 -2.233 -4.229 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.163 -5.067 -5.090 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.329 -2.938 -2.366 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.634 -4.363 -2.793 1.00 0.00 H new ATOM 986 N ARG A 61 -4.488 -3.044 -8.171 1.00 0.00 N ATOM 987 CA ARG A 61 -5.438 -2.493 -9.110 1.00 0.00 C ATOM 988 C ARG A 61 -6.334 -1.458 -8.449 1.00 0.00 C ATOM 989 O ARG A 61 -6.741 -1.605 -7.292 1.00 0.00 O ATOM 990 CB ARG A 61 -6.264 -3.615 -9.747 1.00 0.00 C ATOM 991 CG ARG A 61 -7.377 -3.136 -10.659 1.00 0.00 C ATOM 992 CD ARG A 61 -8.712 -3.156 -9.953 1.00 0.00 C ATOM 993 NE ARG A 61 -9.248 -4.504 -9.858 1.00 0.00 N ATOM 994 CZ ARG A 61 -10.160 -4.890 -8.974 1.00 0.00 C ATOM 995 NH1 ARG A 61 -10.685 -4.009 -8.132 1.00 0.00 N ATOM 996 NH2 ARG A 61 -10.557 -6.153 -8.945 1.00 0.00 N ATOM 0 H ARG A 61 -4.855 -3.176 -7.228 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.883 -1.983 -9.898 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.597 -4.261 -10.317 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.698 -4.225 -8.954 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.159 -2.124 -11.001 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.422 -3.769 -11.545 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.601 -2.737 -8.953 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.417 -2.521 -10.489 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.899 -5.201 -10.516 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.388 -3.034 -8.163 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.386 -4.307 -7.453 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.162 -6.827 -9.601 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.258 -6.452 -8.267 1.00 0.00 H new ATOM 1010 N PHE A 62 -6.632 -0.404 -9.188 1.00 0.00 N ATOM 1011 CA PHE A 62 -7.490 0.657 -8.719 1.00 0.00 C ATOM 1012 C PHE A 62 -8.317 1.183 -9.870 1.00 0.00 C ATOM 1013 O PHE A 62 -7.868 1.180 -11.001 1.00 0.00 O ATOM 1014 CB PHE A 62 -6.671 1.786 -8.104 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.505 2.922 -7.592 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -8.094 2.848 -6.351 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.700 4.064 -8.356 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.866 3.889 -5.875 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.470 5.105 -7.886 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.052 5.018 -6.643 1.00 0.00 C ATOM 0 H PHE A 62 -6.281 -0.264 -10.135 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.150 0.258 -7.948 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.074 1.386 -7.284 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.973 2.166 -8.850 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.951 1.967 -5.743 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.242 4.137 -9.331 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.325 3.818 -4.900 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.616 5.987 -8.492 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.654 5.833 -6.269 1.00 0.00 H new ATOM 1030 N ASP A 63 -9.534 1.620 -9.575 1.00 0.00 N ATOM 1031 CA ASP A 63 -10.466 2.156 -10.591 1.00 0.00 C ATOM 1032 C ASP A 63 -10.725 1.118 -11.670 1.00 0.00 C ATOM 1033 O ASP A 63 -11.083 1.437 -12.800 1.00 0.00 O ATOM 1034 CB ASP A 63 -9.866 3.409 -11.224 1.00 0.00 C ATOM 1035 CG ASP A 63 -10.912 4.376 -11.759 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -11.503 5.124 -10.954 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -11.127 4.409 -12.987 1.00 0.00 O ATOM 0 H ASP A 63 -9.915 1.618 -8.629 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.410 2.405 -10.106 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.252 3.922 -10.484 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.204 3.114 -12.038 1.00 0.00 H new ATOM 1042 N GLY A 64 -10.547 -0.133 -11.316 1.00 0.00 N ATOM 1043 CA GLY A 64 -10.751 -1.200 -12.251 1.00 0.00 C ATOM 1044 C GLY A 64 -9.607 -1.345 -13.244 1.00 0.00 C ATOM 1045 O GLY A 64 -9.690 -2.127 -14.187 1.00 0.00 O ATOM 0 H GLY A 64 -10.261 -0.431 -10.384 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.873 -2.136 -11.706 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.679 -1.026 -12.796 1.00 0.00 H new ATOM 1049 N GLN A 65 -8.536 -0.588 -13.045 1.00 0.00 N ATOM 1050 CA GLN A 65 -7.374 -0.655 -13.919 1.00 0.00 C ATOM 1051 C GLN A 65 -6.116 -1.014 -13.114 1.00 0.00 C ATOM 1052 O GLN A 65 -5.994 -0.645 -11.942 1.00 0.00 O ATOM 1053 CB GLN A 65 -7.185 0.676 -14.657 1.00 0.00 C ATOM 1054 CG GLN A 65 -7.073 1.881 -13.739 1.00 0.00 C ATOM 1055 CD GLN A 65 -6.909 3.187 -14.482 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -6.204 4.117 -13.875 1.00 0.00 O flip ATOM 1057 NE2 GLN A 65 -7.413 3.357 -15.589 1.00 0.00 N flip ATOM 0 H GLN A 65 -8.449 0.083 -12.282 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.540 -1.438 -14.659 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.286 0.615 -15.271 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.025 0.826 -15.336 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.964 1.936 -13.114 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.223 1.742 -13.071 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.953 2.609 -16.024 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.292 4.247 -16.073 1.00 0.00 H new ATOM 1066 N PRO A 66 -5.174 -1.750 -13.725 1.00 0.00 N ATOM 1067 CA PRO A 66 -3.943 -2.171 -13.050 1.00 0.00 C ATOM 1068 C PRO A 66 -3.035 -0.991 -12.717 1.00 0.00 C ATOM 1069 O PRO A 66 -2.870 -0.062 -13.516 1.00 0.00 O ATOM 1070 CB PRO A 66 -3.268 -3.099 -14.067 1.00 0.00 C ATOM 1071 CG PRO A 66 -3.826 -2.690 -15.386 1.00 0.00 C ATOM 1072 CD PRO A 66 -5.229 -2.223 -15.119 1.00 0.00 C ATOM 0 HA PRO A 66 -4.149 -2.652 -12.094 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.184 -2.988 -14.045 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.486 -4.145 -13.853 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.229 -1.895 -15.832 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.820 -3.524 -16.087 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.524 -1.426 -15.802 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.951 -3.031 -15.241 1.00 0.00 H new ATOM 1080 N ILE A 67 -2.456 -1.016 -11.536 1.00 0.00 N ATOM 1081 CA ILE A 67 -1.568 0.038 -11.103 1.00 0.00 C ATOM 1082 C ILE A 67 -0.135 -0.303 -11.471 1.00 0.00 C ATOM 1083 O ILE A 67 0.257 -1.475 -11.481 1.00 0.00 O ATOM 1084 CB ILE A 67 -1.652 0.245 -9.572 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -3.104 0.455 -9.131 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -0.792 1.420 -9.142 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -3.257 0.652 -7.641 1.00 0.00 C ATOM 0 H ILE A 67 -2.587 -1.763 -10.854 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.876 0.956 -11.604 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.273 -0.655 -9.087 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.511 1.324 -9.648 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.697 -0.406 -9.439 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.865 1.548 -8.062 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.246 1.230 -9.415 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.139 2.326 -9.639 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.310 0.795 -7.399 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.880 -0.227 -7.117 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.691 1.530 -7.330 1.00 0.00 H new ATOM 1099 N ASN A 68 0.651 0.710 -11.787 1.00 0.00 N ATOM 1100 CA ASN A 68 2.043 0.510 -12.104 1.00 0.00 C ATOM 1101 C ASN A 68 2.878 1.167 -11.057 1.00 0.00 C ATOM 1102 O ASN A 68 2.395 1.990 -10.277 1.00 0.00 O ATOM 1103 CB ASN A 68 2.423 1.102 -13.465 1.00 0.00 C ATOM 1104 CG ASN A 68 1.273 1.207 -14.417 1.00 0.00 C ATOM 1105 OD1 ASN A 68 0.696 2.385 -14.490 1.00 0.00 O flip ATOM 1106 ND2 ASN A 68 0.931 0.249 -15.108 1.00 0.00 N flip ATOM 0 H ASN A 68 0.342 1.681 -11.829 1.00 0.00 H new ATOM 0 HA ASN A 68 2.219 -0.565 -12.141 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.850 2.093 -13.314 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.201 0.485 -13.915 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.412 -0.646 -15.013 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.167 0.349 -15.776 1.00 0.00 H new ATOM 1113 N GLU A 69 4.127 0.842 -11.042 1.00 0.00 N ATOM 1114 CA GLU A 69 5.047 1.417 -10.110 1.00 0.00 C ATOM 1115 C GLU A 69 5.435 2.818 -10.569 1.00 0.00 C ATOM 1116 O GLU A 69 5.903 3.643 -9.786 1.00 0.00 O ATOM 1117 CB GLU A 69 6.293 0.527 -9.959 1.00 0.00 C ATOM 1118 CG GLU A 69 7.062 0.277 -11.264 1.00 0.00 C ATOM 1119 CD GLU A 69 6.365 -0.687 -12.215 1.00 0.00 C ATOM 1120 OE1 GLU A 69 5.519 -0.235 -13.015 1.00 0.00 O ATOM 1121 OE2 GLU A 69 6.659 -1.897 -12.166 1.00 0.00 O ATOM 0 H GLU A 69 4.545 0.165 -11.680 1.00 0.00 H new ATOM 0 HA GLU A 69 4.566 1.487 -9.134 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.968 0.988 -9.238 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.989 -0.433 -9.542 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.213 1.229 -11.773 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.050 -0.116 -11.023 1.00 0.00 H new ATOM 1128 N THR A 70 5.227 3.084 -11.848 1.00 0.00 N ATOM 1129 CA THR A 70 5.562 4.361 -12.432 1.00 0.00 C ATOM 1130 C THR A 70 4.382 5.326 -12.404 1.00 0.00 C ATOM 1131 O THR A 70 4.468 6.446 -12.916 1.00 0.00 O ATOM 1132 CB THR A 70 6.027 4.173 -13.881 1.00 0.00 C ATOM 1133 OG1 THR A 70 5.047 3.414 -14.607 1.00 0.00 O ATOM 1134 CG2 THR A 70 7.358 3.443 -13.923 1.00 0.00 C ATOM 0 H THR A 70 4.821 2.418 -12.505 1.00 0.00 H new ATOM 0 HA THR A 70 6.367 4.789 -11.834 1.00 0.00 H new ATOM 0 HB THR A 70 6.148 5.155 -14.338 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.345 3.296 -15.533 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.672 3.319 -14.959 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.108 4.022 -13.384 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.251 2.464 -13.456 1.00 0.00 H new ATOM 1142 N ASP A 71 3.282 4.918 -11.800 1.00 0.00 N ATOM 1143 CA ASP A 71 2.102 5.759 -11.751 1.00 0.00 C ATOM 1144 C ASP A 71 2.012 6.481 -10.405 1.00 0.00 C ATOM 1145 O ASP A 71 2.662 6.092 -9.435 1.00 0.00 O ATOM 1146 CB ASP A 71 0.857 4.910 -11.976 1.00 0.00 C ATOM 1147 CG ASP A 71 -0.351 5.739 -12.341 1.00 0.00 C ATOM 1148 OD1 ASP A 71 -0.192 6.715 -13.101 1.00 0.00 O ATOM 1149 OD2 ASP A 71 -1.460 5.397 -11.905 1.00 0.00 O ATOM 0 H ASP A 71 3.181 4.014 -11.339 1.00 0.00 H new ATOM 0 HA ASP A 71 2.172 6.509 -12.538 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.052 4.189 -12.770 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.642 4.339 -11.072 1.00 0.00 H new ATOM 1154 N THR A 72 1.257 7.558 -10.358 1.00 0.00 N ATOM 1155 CA THR A 72 1.053 8.297 -9.120 1.00 0.00 C ATOM 1156 C THR A 72 -0.418 8.312 -8.708 1.00 0.00 C ATOM 1157 O THR A 72 -1.301 8.205 -9.547 1.00 0.00 O ATOM 1158 CB THR A 72 1.559 9.746 -9.249 1.00 0.00 C ATOM 1159 OG1 THR A 72 1.478 10.174 -10.617 1.00 0.00 O ATOM 1160 CG2 THR A 72 2.984 9.871 -8.747 1.00 0.00 C ATOM 0 H THR A 72 0.770 7.947 -11.165 1.00 0.00 H new ATOM 0 HA THR A 72 1.627 7.783 -8.349 1.00 0.00 H new ATOM 0 HB THR A 72 0.925 10.386 -8.635 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.800 11.097 -10.691 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.317 10.904 -8.849 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.027 9.578 -7.698 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.634 9.221 -9.332 1.00 0.00 H new ATOM 1168 N PRO A 73 -0.692 8.465 -7.394 1.00 0.00 N ATOM 1169 CA PRO A 73 -2.062 8.486 -6.860 1.00 0.00 C ATOM 1170 C PRO A 73 -2.897 9.624 -7.450 1.00 0.00 C ATOM 1171 O PRO A 73 -4.116 9.507 -7.621 1.00 0.00 O ATOM 1172 CB PRO A 73 -1.865 8.689 -5.347 1.00 0.00 C ATOM 1173 CG PRO A 73 -0.472 9.197 -5.197 1.00 0.00 C ATOM 1174 CD PRO A 73 0.311 8.628 -6.332 1.00 0.00 C ATOM 0 HA PRO A 73 -2.606 7.574 -7.108 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.588 9.400 -4.948 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.004 7.755 -4.803 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.452 10.287 -5.220 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.048 8.890 -4.241 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.116 9.296 -6.639 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.771 7.677 -6.065 1.00 0.00 H new ATOM 1182 N ALA A 74 -2.237 10.725 -7.785 1.00 0.00 N ATOM 1183 CA ALA A 74 -2.915 11.877 -8.356 1.00 0.00 C ATOM 1184 C ALA A 74 -3.371 11.595 -9.778 1.00 0.00 C ATOM 1185 O ALA A 74 -4.262 12.260 -10.304 1.00 0.00 O ATOM 1186 CB ALA A 74 -2.007 13.090 -8.328 1.00 0.00 C ATOM 0 H ALA A 74 -1.230 10.843 -7.670 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.798 12.082 -7.751 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.528 13.945 -8.759 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.732 13.315 -7.298 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.107 12.884 -8.907 1.00 0.00 H new ATOM 1192 N GLN A 75 -2.773 10.595 -10.404 1.00 0.00 N ATOM 1193 CA GLN A 75 -3.111 10.244 -11.769 1.00 0.00 C ATOM 1194 C GLN A 75 -4.515 9.686 -11.831 1.00 0.00 C ATOM 1195 O GLN A 75 -5.272 9.948 -12.762 1.00 0.00 O ATOM 1196 CB GLN A 75 -2.139 9.208 -12.309 1.00 0.00 C ATOM 1197 CG GLN A 75 -1.891 9.327 -13.796 1.00 0.00 C ATOM 1198 CD GLN A 75 -1.338 10.682 -14.184 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -2.217 11.625 -14.453 1.00 0.00 O flip ATOM 1200 NE2 GLN A 75 -0.126 10.881 -14.234 1.00 0.00 N flip ATOM 0 H GLN A 75 -2.049 10.011 -9.985 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.049 11.146 -12.378 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.190 9.303 -11.782 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.525 8.212 -12.092 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.193 8.550 -14.108 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.824 9.152 -14.332 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.524 10.125 -14.019 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.229 11.802 -14.491 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.871 8.925 -10.819 1.00 0.00 N ATOM 1210 CA LEU A 76 -6.168 8.305 -10.759 1.00 0.00 C ATOM 1211 C LEU A 76 -7.130 9.189 -9.981 1.00 0.00 C ATOM 1212 O LEU A 76 -8.273 8.805 -9.723 1.00 0.00 O ATOM 1213 CB LEU A 76 -6.053 6.927 -10.102 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.759 6.154 -10.415 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.752 6.327 -9.295 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.048 4.684 -10.647 1.00 0.00 C ATOM 0 H LEU A 76 -4.270 8.722 -10.020 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.555 8.179 -11.770 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.131 7.050 -9.022 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.903 6.321 -10.416 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.333 6.564 -11.331 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.844 5.774 -9.534 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.513 7.384 -9.181 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.174 5.948 -8.364 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.117 4.160 -10.866 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.503 4.257 -9.753 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.732 4.576 -11.489 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.638 10.394 -9.605 1.00 0.00 N ATOM 1229 CA GLU A 77 -7.389 11.402 -8.828 1.00 0.00 C ATOM 1230 C GLU A 77 -8.165 10.772 -7.678 1.00 0.00 C ATOM 1231 O GLU A 77 -9.299 11.151 -7.374 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.291 12.280 -9.731 1.00 0.00 C ATOM 1233 CG GLU A 77 -9.400 11.548 -10.468 1.00 0.00 C ATOM 1234 CD GLU A 77 -10.197 12.474 -11.355 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -11.085 13.187 -10.838 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -9.938 12.503 -12.576 1.00 0.00 O ATOM 0 H GLU A 77 -5.692 10.695 -9.839 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.652 12.070 -8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.742 13.058 -9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.660 12.780 -10.466 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.968 10.750 -11.072 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.066 11.076 -9.745 1.00 0.00 H new ATOM 1243 N MET A 78 -7.526 9.825 -7.020 1.00 0.00 N ATOM 1244 CA MET A 78 -8.126 9.103 -5.922 1.00 0.00 C ATOM 1245 C MET A 78 -8.192 9.977 -4.673 1.00 0.00 C ATOM 1246 O MET A 78 -7.486 10.982 -4.562 1.00 0.00 O ATOM 1247 CB MET A 78 -7.334 7.820 -5.655 1.00 0.00 C ATOM 1248 CG MET A 78 -5.916 8.060 -5.177 1.00 0.00 C ATOM 1249 SD MET A 78 -4.738 6.875 -5.864 1.00 0.00 S ATOM 1250 CE MET A 78 -5.407 5.328 -5.278 1.00 0.00 C ATOM 0 H MET A 78 -6.572 9.535 -7.235 1.00 0.00 H new ATOM 0 HA MET A 78 -9.148 8.833 -6.190 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.863 7.227 -4.909 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.303 7.227 -6.569 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.611 9.070 -5.451 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.889 8.003 -4.089 1.00 0.00 H new ATOM 0 HE1 MET A 78 -5.295 4.567 -6.050 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.871 5.016 -4.381 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.464 5.454 -5.044 1.00 0.00 H new ATOM 1260 N GLU A 79 -9.027 9.590 -3.734 1.00 0.00 N ATOM 1261 CA GLU A 79 -9.220 10.356 -2.519 1.00 0.00 C ATOM 1262 C GLU A 79 -8.634 9.610 -1.339 1.00 0.00 C ATOM 1263 O GLU A 79 -8.337 8.416 -1.434 1.00 0.00 O ATOM 1264 CB GLU A 79 -10.706 10.591 -2.278 1.00 0.00 C ATOM 1265 CG GLU A 79 -11.449 9.335 -1.861 1.00 0.00 C ATOM 1266 CD GLU A 79 -12.926 9.560 -1.684 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -13.334 10.006 -0.593 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -13.693 9.280 -2.628 1.00 0.00 O ATOM 0 H GLU A 79 -9.589 8.741 -3.789 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.716 11.316 -2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.827 11.350 -1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.157 10.987 -3.188 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.292 8.560 -2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.029 8.964 -0.926 1.00 0.00 H new ATOM 1275 N ASP A 80 -8.441 10.307 -0.230 1.00 0.00 N ATOM 1276 CA ASP A 80 -7.955 9.689 0.992 1.00 0.00 C ATOM 1277 C ASP A 80 -8.833 8.516 1.429 1.00 0.00 C ATOM 1278 O ASP A 80 -10.067 8.564 1.347 1.00 0.00 O ATOM 1279 CB ASP A 80 -7.871 10.725 2.121 1.00 0.00 C ATOM 1280 CG ASP A 80 -9.229 11.279 2.515 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -9.816 12.052 1.727 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -9.716 10.955 3.619 1.00 0.00 O ATOM 0 H ASP A 80 -8.615 11.309 -0.152 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.959 9.300 0.781 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.403 10.268 2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.226 11.546 1.807 1.00 0.00 H new ATOM 1287 N GLU A 81 -8.163 7.458 1.861 1.00 0.00 N ATOM 1288 CA GLU A 81 -8.771 6.241 2.374 1.00 0.00 C ATOM 1289 C GLU A 81 -9.287 5.358 1.261 1.00 0.00 C ATOM 1290 O GLU A 81 -10.198 4.548 1.459 1.00 0.00 O ATOM 1291 CB GLU A 81 -9.852 6.529 3.410 1.00 0.00 C ATOM 1292 CG GLU A 81 -9.307 7.164 4.671 1.00 0.00 C ATOM 1293 CD GLU A 81 -10.121 6.815 5.879 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -10.092 5.628 6.292 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -10.796 7.709 6.429 1.00 0.00 O ATOM 0 H GLU A 81 -7.144 7.423 1.864 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.982 5.690 2.885 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.601 7.189 2.972 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.358 5.599 3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.277 6.840 4.823 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.286 8.247 4.550 1.00 0.00 H new ATOM 1302 N ASP A 82 -8.703 5.509 0.087 1.00 0.00 N ATOM 1303 CA ASP A 82 -9.053 4.666 -1.058 1.00 0.00 C ATOM 1304 C ASP A 82 -8.742 3.195 -0.751 1.00 0.00 C ATOM 1305 O ASP A 82 -7.910 2.895 0.105 1.00 0.00 O ATOM 1306 CB ASP A 82 -8.268 5.098 -2.299 1.00 0.00 C ATOM 1307 CG ASP A 82 -7.128 4.147 -2.621 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -6.040 4.303 -2.044 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -7.337 3.242 -3.445 1.00 0.00 O ATOM 0 H ASP A 82 -7.983 6.205 -0.106 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.120 4.779 -1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.944 5.153 -3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.869 6.100 -2.143 1.00 0.00 H new ATOM 1314 N THR A 83 -9.444 2.279 -1.402 1.00 0.00 N ATOM 1315 CA THR A 83 -9.161 0.866 -1.235 1.00 0.00 C ATOM 1316 C THR A 83 -8.543 0.245 -2.505 1.00 0.00 C ATOM 1317 O THR A 83 -9.217 0.065 -3.530 1.00 0.00 O ATOM 1318 CB THR A 83 -10.430 0.090 -0.840 1.00 0.00 C ATOM 1319 OG1 THR A 83 -11.027 0.714 0.305 1.00 0.00 O ATOM 1320 CG2 THR A 83 -10.098 -1.359 -0.508 1.00 0.00 C ATOM 0 H THR A 83 -10.207 2.489 -2.045 1.00 0.00 H new ATOM 0 HA THR A 83 -8.430 0.787 -0.430 1.00 0.00 H new ATOM 0 HB THR A 83 -11.123 0.103 -1.681 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.837 0.224 0.559 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.011 -1.887 -0.232 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.651 -1.838 -1.379 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.395 -1.390 0.324 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.262 -0.076 -2.418 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.539 -0.718 -3.508 1.00 0.00 C ATOM 1330 C ILE A 84 -6.842 -2.208 -3.499 1.00 0.00 C ATOM 1331 O ILE A 84 -6.883 -2.822 -2.441 1.00 0.00 O ATOM 1332 CB ILE A 84 -5.003 -0.542 -3.362 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.615 0.936 -3.227 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -4.285 -1.177 -4.541 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -4.824 1.745 -4.482 1.00 0.00 C ATOM 0 H ILE A 84 -6.693 0.101 -1.590 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.861 -0.251 -4.439 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.695 -1.048 -2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.197 1.381 -2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.566 1.000 -2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.209 -1.046 -4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.519 -2.241 -4.579 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.611 -0.700 -5.465 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.526 2.778 -4.303 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.221 1.328 -5.288 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.877 1.715 -4.763 1.00 0.00 H new ATOM 1347 N ASP A 85 -7.060 -2.794 -4.657 1.00 0.00 N ATOM 1348 CA ASP A 85 -7.328 -4.223 -4.723 1.00 0.00 C ATOM 1349 C ASP A 85 -6.083 -4.976 -5.156 1.00 0.00 C ATOM 1350 O ASP A 85 -5.484 -4.675 -6.187 1.00 0.00 O ATOM 1351 CB ASP A 85 -8.490 -4.529 -5.672 1.00 0.00 C ATOM 1352 CG ASP A 85 -8.890 -6.004 -5.654 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -9.578 -6.435 -4.690 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -8.541 -6.731 -6.598 1.00 0.00 O ATOM 0 H ASP A 85 -7.058 -2.314 -5.557 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.613 -4.555 -3.725 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.350 -3.920 -5.395 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.211 -4.244 -6.686 1.00 0.00 H new ATOM 1359 N VAL A 86 -5.677 -5.928 -4.351 1.00 0.00 N ATOM 1360 CA VAL A 86 -4.527 -6.756 -4.654 1.00 0.00 C ATOM 1361 C VAL A 86 -4.968 -8.176 -4.872 1.00 0.00 C ATOM 1362 O VAL A 86 -5.670 -8.757 -4.043 1.00 0.00 O ATOM 1363 CB VAL A 86 -3.475 -6.717 -3.530 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -2.331 -7.680 -3.819 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -2.946 -5.320 -3.367 1.00 0.00 C ATOM 0 H VAL A 86 -6.132 -6.153 -3.466 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.067 -6.359 -5.559 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.955 -7.028 -2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.602 -7.633 -3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.721 -8.695 -3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.850 -7.403 -4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.203 -5.303 -2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.485 -4.994 -4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.766 -4.648 -3.113 1.00 0.00 H new ATOM 1375 N PHE A 87 -4.508 -8.765 -5.940 1.00 0.00 N ATOM 1376 CA PHE A 87 -4.921 -10.090 -6.309 1.00 0.00 C ATOM 1377 C PHE A 87 -3.716 -10.919 -6.684 1.00 0.00 C ATOM 1378 O PHE A 87 -2.684 -10.384 -7.116 1.00 0.00 O ATOM 1379 CB PHE A 87 -5.960 -10.052 -7.436 1.00 0.00 C ATOM 1380 CG PHE A 87 -5.621 -9.114 -8.553 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -6.033 -7.799 -8.513 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -4.896 -9.547 -9.643 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -5.728 -6.934 -9.531 1.00 0.00 C ATOM 1384 CE2 PHE A 87 -4.586 -8.682 -10.673 1.00 0.00 C ATOM 1385 CZ PHE A 87 -5.003 -7.372 -10.617 1.00 0.00 C ATOM 0 H PHE A 87 -3.836 -8.340 -6.579 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.403 -10.560 -5.452 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.075 -11.057 -7.843 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.924 -9.766 -7.016 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.604 -7.446 -7.667 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.567 -10.575 -9.691 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.057 -5.906 -9.482 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.017 -9.033 -11.521 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.763 -6.691 -11.420 1.00 0.00 H new ATOM 1395 N GLN A 88 -3.818 -12.213 -6.495 1.00 0.00 N ATOM 1396 CA GLN A 88 -2.700 -13.114 -6.744 1.00 0.00 C ATOM 1397 C GLN A 88 -2.489 -13.383 -8.239 1.00 0.00 C ATOM 1398 O GLN A 88 -3.314 -14.016 -8.899 1.00 0.00 O ATOM 1399 CB GLN A 88 -2.909 -14.435 -6.007 1.00 0.00 C ATOM 1400 CG GLN A 88 -1.614 -15.173 -5.700 1.00 0.00 C ATOM 1401 CD GLN A 88 -0.987 -14.744 -4.382 1.00 0.00 C ATOM 1402 OE1 GLN A 88 -1.227 -13.512 -3.979 1.00 0.00 O flip ATOM 1403 NE2 GLN A 88 -0.302 -15.524 -3.728 1.00 0.00 N flip ATOM 0 H GLN A 88 -4.666 -12.675 -6.168 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.804 -12.620 -6.368 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.437 -14.241 -5.073 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.551 -15.079 -6.608 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.810 -16.245 -5.671 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.903 -15.001 -6.508 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.138 -16.470 -4.072 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.103 -15.226 -2.841 1.00 0.00 H new ATOM 1412 N GLN A 89 -1.385 -12.890 -8.762 1.00 0.00 N ATOM 1413 CA GLN A 89 -1.011 -13.112 -10.155 1.00 0.00 C ATOM 1414 C GLN A 89 0.210 -14.011 -10.243 1.00 0.00 C ATOM 1415 O GLN A 89 0.954 -13.985 -11.223 1.00 0.00 O ATOM 1416 CB GLN A 89 -0.751 -11.782 -10.855 1.00 0.00 C ATOM 1417 CG GLN A 89 -2.019 -11.020 -11.184 1.00 0.00 C ATOM 1418 CD GLN A 89 -2.900 -11.759 -12.182 1.00 0.00 C ATOM 1419 OE1 GLN A 89 -2.409 -12.475 -13.050 1.00 0.00 O ATOM 1420 NE2 GLN A 89 -4.199 -11.593 -12.062 1.00 0.00 N ATOM 0 H GLN A 89 -0.718 -12.323 -8.238 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.839 -13.610 -10.660 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.118 -11.163 -10.220 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.197 -11.966 -11.775 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.582 -10.845 -10.267 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.757 -10.043 -11.589 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.570 -10.990 -11.328 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.835 -12.067 -12.703 1.00 0.00 H new ATOM 1429 N GLN A 90 0.405 -14.820 -9.207 1.00 0.00 N ATOM 1430 CA GLN A 90 1.525 -15.749 -9.136 1.00 0.00 C ATOM 1431 C GLN A 90 1.454 -16.741 -10.293 1.00 0.00 C ATOM 1432 O GLN A 90 2.439 -16.987 -10.986 1.00 0.00 O ATOM 1433 CB GLN A 90 1.500 -16.488 -7.778 1.00 0.00 C ATOM 1434 CG GLN A 90 2.771 -17.274 -7.433 1.00 0.00 C ATOM 1435 CD GLN A 90 2.932 -18.561 -8.219 1.00 0.00 C ATOM 1436 OE1 GLN A 90 1.955 -19.202 -8.596 1.00 0.00 O ATOM 1437 NE2 GLN A 90 4.165 -18.943 -8.467 1.00 0.00 N ATOM 0 H GLN A 90 -0.209 -14.849 -8.393 1.00 0.00 H new ATOM 0 HA GLN A 90 2.461 -15.197 -9.216 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.320 -15.757 -6.989 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.655 -17.177 -7.774 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.639 -16.639 -7.613 1.00 0.00 H new ATOM 0 HG3 GLN A 90 2.763 -17.509 -6.369 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.949 -18.381 -8.136 1.00 0.00 H new ATOM 0 HE22 GLN A 90 4.337 -19.801 -8.991 1.00 0.00 H new ATOM 1446 N THR A 91 0.286 -17.304 -10.500 1.00 0.00 N ATOM 1447 CA THR A 91 0.081 -18.254 -11.561 1.00 0.00 C ATOM 1448 C THR A 91 -0.566 -17.561 -12.758 1.00 0.00 C ATOM 1449 O THR A 91 -1.434 -16.699 -12.594 1.00 0.00 O ATOM 1450 CB THR A 91 -0.820 -19.405 -11.084 1.00 0.00 C ATOM 1451 OG1 THR A 91 -0.371 -19.865 -9.800 1.00 0.00 O ATOM 1452 CG2 THR A 91 -0.782 -20.565 -12.066 1.00 0.00 C ATOM 0 H THR A 91 -0.544 -17.115 -9.938 1.00 0.00 H new ATOM 0 HA THR A 91 1.048 -18.662 -11.855 1.00 0.00 H new ATOM 0 HB THR A 91 -1.843 -19.034 -11.015 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.544 -19.553 -9.642 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.427 -21.367 -11.707 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.132 -20.227 -13.042 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.240 -20.933 -12.154 1.00 0.00 H new ATOM 1460 N GLY A 92 -0.142 -17.918 -13.957 1.00 0.00 N ATOM 1461 CA GLY A 92 -0.700 -17.309 -15.140 1.00 0.00 C ATOM 1462 C GLY A 92 -0.043 -17.809 -16.403 1.00 0.00 C ATOM 1463 O GLY A 92 -0.714 -18.074 -17.404 1.00 0.00 O ATOM 0 H GLY A 92 0.579 -18.619 -14.132 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.769 -17.515 -15.183 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.586 -16.227 -15.077 1.00 0.00 H new ATOM 1467 N GLY A 93 1.265 -17.952 -16.371 1.00 0.00 N ATOM 1468 CA GLY A 93 1.984 -18.411 -17.530 1.00 0.00 C ATOM 1469 C GLY A 93 3.408 -18.746 -17.190 1.00 0.00 C ATOM 1470 O GLY A 93 4.281 -18.600 -18.055 1.00 0.00 O ATOM 1471 OXT GLY A 93 3.663 -19.154 -16.037 1.00 0.00 O ATOM 0 H GLY A 93 1.846 -17.757 -15.556 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.490 -19.290 -17.943 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.963 -17.642 -18.302 1.00 0.00 H new TER 1475 GLY A 93