USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 481 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 Single : A 6 SER OG : rot -53:sc= 0.917 USER MOD Single : A 7 LYS NZ :NH3+ -111:sc= -2.15 (180deg=-4.41!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -0.932 K(o=-0.93,f=-6.8!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0458 K(o=-0.046,f=-0.79) USER MOD Single : A 20 ASN : amide:sc=-0.00678 X(o=-0.0068,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.25) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot -30:sc= 0.00526 USER MOD Single : A 31 SER OG : rot -90:sc= 1.21 USER MOD Single : A 33 ASN :FLIP amide:sc= -2.1! C(o=-4.6!,f=-2.1!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -6.13! C(o=-6.1!,f=-7.7!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 150:sc= 0 USER MOD Single : A 41 GLN :FLIP amide:sc= -0.0312 F(o=-0.94,f=-0.031) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.68 F(o=-4.2!,f=-0.68) USER MOD Single : A 44 LYS NZ :NH3+ 160:sc= -0.0644 (180deg=-0.524) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN :FLIP amide:sc= -2.37! C(o=-5.6!,f=-2.4!) USER MOD Single : A 52 LYS NZ :NH3+ -118:sc= -1.05 (180deg=-2.71!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0623 X(o=-0.062,f=-0.22) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 39:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -14.125 -2.672 -1.602 1.00 0.00 N ATOM 2 CA PRO A 1 -13.040 -3.004 -0.641 1.00 0.00 C ATOM 3 C PRO A 1 -13.230 -2.177 0.639 1.00 0.00 C ATOM 4 O PRO A 1 -12.301 -1.951 1.388 1.00 0.00 O ATOM 5 CB PRO A 1 -11.693 -2.664 -1.312 1.00 0.00 C ATOM 6 CG PRO A 1 -12.043 -1.647 -2.365 1.00 0.00 C ATOM 7 CD PRO A 1 -13.520 -1.896 -2.713 1.00 0.00 C ATOM 0 H2 PRO A 1 -14.856 -2.129 -1.143 1.00 0.00 H new ATOM 0 H3 PRO A 1 -14.563 -3.523 -1.956 1.00 0.00 H new ATOM 0 HA PRO A 1 -13.061 -4.061 -0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -10.981 -2.261 -0.592 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -11.234 -3.549 -1.752 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -11.894 -0.633 -1.994 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -11.409 -1.761 -3.245 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -14.045 -0.950 -2.848 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -13.604 -2.444 -3.651 1.00 0.00 H new ATOM 17 N GLU A 2 -14.429 -1.728 0.893 1.00 0.00 N ATOM 18 CA GLU A 2 -14.676 -0.920 2.121 1.00 0.00 C ATOM 19 C GLU A 2 -14.245 -1.719 3.353 1.00 0.00 C ATOM 20 O GLU A 2 -13.899 -1.164 4.376 1.00 0.00 O ATOM 21 CB GLU A 2 -16.168 -0.588 2.229 1.00 0.00 C ATOM 22 CG GLU A 2 -16.574 0.367 1.101 1.00 0.00 C ATOM 23 CD GLU A 2 -16.500 -0.360 -0.244 1.00 0.00 C ATOM 24 OE1 GLU A 2 -17.400 -1.135 -0.526 1.00 0.00 O ATOM 25 OE2 GLU A 2 -15.546 -0.130 -0.968 1.00 0.00 O ATOM 0 H GLU A 2 -15.247 -1.885 0.304 1.00 0.00 H new ATOM 0 HA GLU A 2 -14.102 0.005 2.065 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -16.758 -1.503 2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -16.379 -0.132 3.196 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -17.586 0.736 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -15.915 1.235 1.092 1.00 0.00 H new ATOM 32 N GLU A 3 -14.268 -3.020 3.261 1.00 0.00 N ATOM 33 CA GLU A 3 -13.864 -3.858 4.425 1.00 0.00 C ATOM 34 C GLU A 3 -12.416 -3.544 4.809 1.00 0.00 C ATOM 35 O GLU A 3 -12.121 -3.218 5.940 1.00 0.00 O ATOM 36 CB GLU A 3 -13.986 -5.338 4.051 1.00 0.00 C ATOM 37 CG GLU A 3 -13.579 -6.211 5.244 1.00 0.00 C ATOM 38 CD GLU A 3 -13.935 -7.672 4.958 1.00 0.00 C ATOM 39 OE1 GLU A 3 -15.051 -8.060 5.261 1.00 0.00 O ATOM 40 OE2 GLU A 3 -13.084 -8.377 4.441 1.00 0.00 O ATOM 0 H GLU A 3 -14.549 -3.539 2.429 1.00 0.00 H new ATOM 0 HA GLU A 3 -14.515 -3.641 5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.010 -5.565 3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.351 -5.559 3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.509 -6.117 5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.089 -5.872 6.146 1.00 0.00 H new ATOM 47 N VAL A 4 -11.509 -3.650 3.878 1.00 0.00 N ATOM 48 CA VAL A 4 -10.080 -3.366 4.195 1.00 0.00 C ATOM 49 C VAL A 4 -9.902 -1.879 4.492 1.00 0.00 C ATOM 50 O VAL A 4 -9.324 -1.508 5.490 1.00 0.00 O ATOM 51 CB VAL A 4 -9.209 -3.768 3.004 1.00 0.00 C ATOM 52 CG1 VAL A 4 -7.740 -3.426 3.286 1.00 0.00 C ATOM 53 CG2 VAL A 4 -9.350 -5.272 2.782 1.00 0.00 C ATOM 0 H VAL A 4 -11.694 -3.921 2.912 1.00 0.00 H new ATOM 0 HA VAL A 4 -9.780 -3.939 5.072 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.530 -3.225 2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.128 -3.716 2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.642 -2.354 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -7.405 -3.965 4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.734 -5.574 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -9.024 -5.804 3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.393 -5.513 2.576 1.00 0.00 H new ATOM 63 N ILE A 5 -10.395 -1.023 3.638 1.00 0.00 N ATOM 64 CA ILE A 5 -10.242 0.443 3.877 1.00 0.00 C ATOM 65 C ILE A 5 -10.699 0.775 5.296 1.00 0.00 C ATOM 66 O ILE A 5 -10.286 1.759 5.877 1.00 0.00 O ATOM 67 CB ILE A 5 -11.096 1.225 2.877 1.00 0.00 C ATOM 68 CG1 ILE A 5 -10.612 0.924 1.450 1.00 0.00 C ATOM 69 CG2 ILE A 5 -10.964 2.728 3.166 1.00 0.00 C ATOM 70 CD1 ILE A 5 -11.603 1.496 0.432 1.00 0.00 C ATOM 0 H ILE A 5 -10.897 -1.274 2.786 1.00 0.00 H new ATOM 0 HA ILE A 5 -9.195 0.719 3.751 1.00 0.00 H new ATOM 0 HB ILE A 5 -12.141 0.929 2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.624 1.358 1.293 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.514 -0.152 1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.571 3.290 2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -11.307 2.935 4.180 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.920 3.027 3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.254 1.279 -0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -12.582 1.042 0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.679 2.575 0.565 1.00 0.00 H new ATOM 82 N SER A 6 -11.537 -0.043 5.862 1.00 0.00 N ATOM 83 CA SER A 6 -12.005 0.225 7.246 1.00 0.00 C ATOM 84 C SER A 6 -10.833 0.026 8.205 1.00 0.00 C ATOM 85 O SER A 6 -10.673 0.751 9.165 1.00 0.00 O ATOM 86 CB SER A 6 -13.134 -0.743 7.609 1.00 0.00 C ATOM 87 OG SER A 6 -12.577 -1.999 7.973 1.00 0.00 O ATOM 0 H SER A 6 -11.917 -0.884 5.427 1.00 0.00 H new ATOM 0 HA SER A 6 -12.379 1.246 7.318 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.723 -0.341 8.433 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.811 -0.864 6.763 1.00 0.00 H new ATOM 0 HG SER A 6 -11.980 -2.311 7.261 1.00 0.00 H new ATOM 93 N LYS A 7 -10.011 -0.960 7.952 1.00 0.00 N ATOM 94 CA LYS A 7 -8.845 -1.210 8.854 1.00 0.00 C ATOM 95 C LYS A 7 -7.756 -0.155 8.615 1.00 0.00 C ATOM 96 O LYS A 7 -7.103 0.288 9.534 1.00 0.00 O ATOM 97 CB LYS A 7 -8.282 -2.631 8.602 1.00 0.00 C ATOM 98 CG LYS A 7 -7.103 -2.586 7.612 1.00 0.00 C ATOM 99 CD LYS A 7 -6.717 -3.992 7.166 1.00 0.00 C ATOM 100 CE LYS A 7 -6.447 -4.898 8.379 1.00 0.00 C ATOM 101 NZ LYS A 7 -7.741 -5.404 8.918 1.00 0.00 N ATOM 0 H LYS A 7 -10.096 -1.601 7.163 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.175 -1.139 9.891 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.954 -3.069 9.545 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.069 -3.274 8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.374 -1.986 6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.247 -2.100 8.081 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.517 -4.418 6.560 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.829 -3.947 6.536 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.810 -5.733 8.088 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.912 -4.343 9.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.923 -4.973 9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.511 -5.155 8.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.694 -6.438 9.020 1.00 0.00 H new ATOM 115 N ILE A 8 -7.536 0.216 7.376 1.00 0.00 N ATOM 116 CA ILE A 8 -6.466 1.208 7.055 1.00 0.00 C ATOM 117 C ILE A 8 -6.603 2.400 7.990 1.00 0.00 C ATOM 118 O ILE A 8 -5.649 3.094 8.282 1.00 0.00 O ATOM 119 CB ILE A 8 -6.602 1.661 5.598 1.00 0.00 C ATOM 120 CG1 ILE A 8 -6.674 0.430 4.673 1.00 0.00 C ATOM 121 CG2 ILE A 8 -5.409 2.539 5.208 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.422 -0.449 4.797 1.00 0.00 C ATOM 0 H ILE A 8 -8.056 -0.129 6.570 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.485 0.753 7.188 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.518 2.242 5.490 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.558 -0.159 4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.787 0.758 3.640 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.514 2.856 4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.376 3.416 5.854 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.486 1.970 5.321 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.512 -1.306 4.129 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.541 0.132 4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.323 -0.799 5.825 1.00 0.00 H new ATOM 134 N MET A 9 -7.785 2.624 8.483 1.00 0.00 N ATOM 135 CA MET A 9 -7.989 3.748 9.423 1.00 0.00 C ATOM 136 C MET A 9 -7.102 3.515 10.651 1.00 0.00 C ATOM 137 O MET A 9 -6.988 4.360 11.517 1.00 0.00 O ATOM 138 CB MET A 9 -9.476 3.806 9.824 1.00 0.00 C ATOM 139 CG MET A 9 -9.807 2.738 10.889 1.00 0.00 C ATOM 140 SD MET A 9 -9.439 3.387 12.542 1.00 0.00 S ATOM 141 CE MET A 9 -11.030 4.199 12.841 1.00 0.00 C ATOM 0 H MET A 9 -8.618 2.075 8.273 1.00 0.00 H new ATOM 0 HA MET A 9 -7.719 4.697 8.960 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.713 4.797 10.212 1.00 0.00 H new ATOM 0 HB3 MET A 9 -10.100 3.651 8.943 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.859 2.459 10.823 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.225 1.835 10.705 1.00 0.00 H new ATOM 0 HE1 MET A 9 -11.018 4.671 13.823 1.00 0.00 H new ATOM 0 HE2 MET A 9 -11.201 4.956 12.076 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.829 3.459 12.804 1.00 0.00 H new ATOM 151 N GLU A 10 -6.471 2.367 10.731 1.00 0.00 N ATOM 152 CA GLU A 10 -5.596 2.086 11.906 1.00 0.00 C ATOM 153 C GLU A 10 -4.364 2.991 11.854 1.00 0.00 C ATOM 154 O GLU A 10 -3.718 3.236 12.854 1.00 0.00 O ATOM 155 CB GLU A 10 -5.157 0.618 11.875 1.00 0.00 C ATOM 156 CG GLU A 10 -4.279 0.354 10.642 1.00 0.00 C ATOM 157 CD GLU A 10 -4.080 -1.154 10.475 1.00 0.00 C ATOM 158 OE1 GLU A 10 -5.047 -1.827 10.158 1.00 0.00 O ATOM 159 OE2 GLU A 10 -2.965 -1.610 10.667 1.00 0.00 O ATOM 0 H GLU A 10 -6.525 1.620 10.038 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.148 2.280 12.826 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.604 0.377 12.783 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.033 -0.031 11.853 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.749 0.771 9.751 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.315 0.849 10.756 1.00 0.00 H new ATOM 166 N ASN A 11 -4.031 3.479 10.688 1.00 0.00 N ATOM 167 CA ASN A 11 -2.836 4.363 10.541 1.00 0.00 C ATOM 168 C ASN A 11 -3.133 5.437 9.485 1.00 0.00 C ATOM 169 O ASN A 11 -2.923 5.216 8.309 1.00 0.00 O ATOM 170 CB ASN A 11 -1.646 3.521 10.074 1.00 0.00 C ATOM 171 CG ASN A 11 -0.392 4.394 10.019 1.00 0.00 C ATOM 172 OD1 ASN A 11 -0.455 5.584 10.257 1.00 0.00 O ATOM 173 ND2 ASN A 11 0.754 3.850 9.713 1.00 0.00 N ATOM 0 H ASN A 11 -4.541 3.301 9.823 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.605 4.835 11.496 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.490 2.684 10.755 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.850 3.098 9.091 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.597 4.424 9.674 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.807 2.851 9.513 1.00 0.00 H new ATOM 180 N PRO A 12 -3.623 6.591 9.884 1.00 0.00 N ATOM 181 CA PRO A 12 -3.946 7.691 8.927 1.00 0.00 C ATOM 182 C PRO A 12 -2.819 7.921 7.911 1.00 0.00 C ATOM 183 O PRO A 12 -2.982 8.626 6.936 1.00 0.00 O ATOM 184 CB PRO A 12 -4.132 8.911 9.840 1.00 0.00 C ATOM 185 CG PRO A 12 -4.641 8.333 11.122 1.00 0.00 C ATOM 186 CD PRO A 12 -3.928 6.984 11.277 1.00 0.00 C ATOM 0 HA PRO A 12 -4.824 7.471 8.320 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.193 9.445 9.988 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.840 9.623 9.415 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.422 8.991 11.963 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.723 8.204 11.092 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.022 7.076 11.875 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.563 6.249 11.771 1.00 0.00 H new ATOM 194 N ASP A 13 -1.680 7.325 8.133 1.00 0.00 N ATOM 195 CA ASP A 13 -0.545 7.501 7.185 1.00 0.00 C ATOM 196 C ASP A 13 -0.847 6.755 5.883 1.00 0.00 C ATOM 197 O ASP A 13 -0.662 7.278 4.802 1.00 0.00 O ATOM 198 CB ASP A 13 0.733 6.936 7.810 1.00 0.00 C ATOM 199 CG ASP A 13 1.922 7.230 6.893 1.00 0.00 C ATOM 200 OD1 ASP A 13 2.027 6.582 5.865 1.00 0.00 O ATOM 201 OD2 ASP A 13 2.708 8.098 7.235 1.00 0.00 O ATOM 0 H ASP A 13 -1.486 6.722 8.933 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.409 8.562 6.974 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.898 7.381 8.791 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.633 5.861 7.960 1.00 0.00 H new ATOM 206 N VAL A 14 -1.312 5.536 5.973 1.00 0.00 N ATOM 207 CA VAL A 14 -1.625 4.759 4.744 1.00 0.00 C ATOM 208 C VAL A 14 -2.961 5.228 4.184 1.00 0.00 C ATOM 209 O VAL A 14 -3.153 5.308 2.988 1.00 0.00 O ATOM 210 CB VAL A 14 -1.703 3.282 5.118 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.994 2.446 3.872 1.00 0.00 C ATOM 212 CG2 VAL A 14 -0.368 2.851 5.734 1.00 0.00 C ATOM 0 H VAL A 14 -1.488 5.046 6.850 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.854 4.907 3.988 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.505 3.129 5.840 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.049 1.392 4.145 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.944 2.758 3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.197 2.591 3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.416 1.796 6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.433 3.005 5.011 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.170 3.445 6.626 1.00 0.00 H new ATOM 222 N ALA A 15 -3.883 5.551 5.041 1.00 0.00 N ATOM 223 CA ALA A 15 -5.205 6.032 4.563 1.00 0.00 C ATOM 224 C ALA A 15 -5.002 7.290 3.714 1.00 0.00 C ATOM 225 O ALA A 15 -5.668 7.500 2.721 1.00 0.00 O ATOM 226 CB ALA A 15 -6.077 6.365 5.771 1.00 0.00 C ATOM 0 H ALA A 15 -3.779 5.503 6.055 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.690 5.262 3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.050 6.719 5.431 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.209 5.472 6.382 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.595 7.142 6.364 1.00 0.00 H new ATOM 232 N MET A 16 -4.074 8.123 4.100 1.00 0.00 N ATOM 233 CA MET A 16 -3.806 9.362 3.321 1.00 0.00 C ATOM 234 C MET A 16 -3.045 8.978 2.059 1.00 0.00 C ATOM 235 O MET A 16 -3.229 9.552 1.004 1.00 0.00 O ATOM 236 CB MET A 16 -2.953 10.316 4.162 1.00 0.00 C ATOM 237 CG MET A 16 -3.813 10.964 5.253 1.00 0.00 C ATOM 238 SD MET A 16 -2.743 11.834 6.426 1.00 0.00 S ATOM 239 CE MET A 16 -4.057 12.579 7.421 1.00 0.00 C ATOM 0 H MET A 16 -3.488 7.997 4.925 1.00 0.00 H new ATOM 0 HA MET A 16 -4.742 9.855 3.060 1.00 0.00 H new ATOM 0 HB2 MET A 16 -2.124 9.772 4.616 1.00 0.00 H new ATOM 0 HB3 MET A 16 -2.518 11.086 3.525 1.00 0.00 H new ATOM 0 HG2 MET A 16 -4.523 11.660 4.806 1.00 0.00 H new ATOM 0 HG3 MET A 16 -4.396 10.203 5.771 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.615 13.173 8.221 1.00 0.00 H new ATOM 0 HE2 MET A 16 -4.672 13.220 6.790 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.677 11.793 7.853 1.00 0.00 H new ATOM 249 N ALA A 17 -2.197 7.995 2.163 1.00 0.00 N ATOM 250 CA ALA A 17 -1.426 7.551 0.976 1.00 0.00 C ATOM 251 C ALA A 17 -2.392 6.857 0.026 1.00 0.00 C ATOM 252 O ALA A 17 -2.286 6.955 -1.175 1.00 0.00 O ATOM 253 CB ALA A 17 -0.337 6.576 1.418 1.00 0.00 C ATOM 0 H ALA A 17 -2.006 7.480 3.022 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.955 8.399 0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.232 6.247 0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.331 7.072 2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.796 5.712 1.899 1.00 0.00 H new ATOM 259 N PHE A 18 -3.355 6.173 0.570 1.00 0.00 N ATOM 260 CA PHE A 18 -4.361 5.483 -0.284 1.00 0.00 C ATOM 261 C PHE A 18 -4.982 6.514 -1.244 1.00 0.00 C ATOM 262 O PHE A 18 -5.503 6.174 -2.288 1.00 0.00 O ATOM 263 CB PHE A 18 -5.460 4.906 0.632 1.00 0.00 C ATOM 264 CG PHE A 18 -5.276 3.415 0.862 1.00 0.00 C ATOM 265 CD1 PHE A 18 -3.999 2.889 1.093 1.00 0.00 C ATOM 266 CD2 PHE A 18 -6.392 2.563 0.863 1.00 0.00 C ATOM 267 CE1 PHE A 18 -3.838 1.516 1.321 1.00 0.00 C ATOM 268 CE2 PHE A 18 -6.229 1.194 1.094 1.00 0.00 C ATOM 269 CZ PHE A 18 -4.953 0.670 1.323 1.00 0.00 C ATOM 0 H PHE A 18 -3.491 6.060 1.575 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.896 4.682 -0.858 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.445 5.426 1.590 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.438 5.087 0.186 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.138 3.541 1.095 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.378 2.966 0.685 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.853 1.110 1.495 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.089 0.541 1.096 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.828 -0.388 1.501 1.00 0.00 H new ATOM 279 N GLN A 19 -4.942 7.770 -0.880 1.00 0.00 N ATOM 280 CA GLN A 19 -5.541 8.832 -1.744 1.00 0.00 C ATOM 281 C GLN A 19 -4.590 9.189 -2.890 1.00 0.00 C ATOM 282 O GLN A 19 -4.742 10.214 -3.526 1.00 0.00 O ATOM 283 CB GLN A 19 -5.803 10.081 -0.900 1.00 0.00 C ATOM 284 CG GLN A 19 -6.718 9.722 0.273 1.00 0.00 C ATOM 285 CD GLN A 19 -7.001 10.975 1.102 1.00 0.00 C ATOM 286 OE1 GLN A 19 -7.138 12.056 0.564 1.00 0.00 O ATOM 287 NE2 GLN A 19 -7.095 10.877 2.400 1.00 0.00 N ATOM 0 H GLN A 19 -4.518 8.108 -0.016 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.476 8.460 -2.163 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.862 10.487 -0.530 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.265 10.856 -1.512 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.652 9.299 -0.097 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.248 8.960 0.895 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.980 9.970 2.853 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.283 11.707 2.962 1.00 0.00 H new ATOM 296 N ASN A 20 -3.622 8.350 -3.168 1.00 0.00 N ATOM 297 CA ASN A 20 -2.664 8.625 -4.285 1.00 0.00 C ATOM 298 C ASN A 20 -2.962 7.622 -5.411 1.00 0.00 C ATOM 299 O ASN A 20 -3.272 6.478 -5.144 1.00 0.00 O ATOM 300 CB ASN A 20 -1.226 8.434 -3.769 1.00 0.00 C ATOM 301 CG ASN A 20 -0.765 9.695 -3.031 1.00 0.00 C ATOM 302 OD1 ASN A 20 0.113 10.396 -3.492 1.00 0.00 O ATOM 303 ND2 ASN A 20 -1.325 10.013 -1.895 1.00 0.00 N ATOM 0 H ASN A 20 -3.453 7.479 -2.665 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.770 9.645 -4.655 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.181 7.574 -3.101 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.556 8.225 -4.603 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.025 10.850 -1.395 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.062 9.424 -1.508 1.00 0.00 H new ATOM 310 N PRO A 21 -2.898 8.030 -6.659 1.00 0.00 N ATOM 311 CA PRO A 21 -3.202 7.115 -7.798 1.00 0.00 C ATOM 312 C PRO A 21 -2.129 6.034 -7.985 1.00 0.00 C ATOM 313 O PRO A 21 -2.432 4.869 -8.152 1.00 0.00 O ATOM 314 CB PRO A 21 -3.264 8.056 -9.013 1.00 0.00 C ATOM 315 CG PRO A 21 -2.371 9.199 -8.645 1.00 0.00 C ATOM 316 CD PRO A 21 -2.530 9.380 -7.131 1.00 0.00 C ATOM 0 HA PRO A 21 -4.125 6.558 -7.639 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.919 7.558 -9.919 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.283 8.393 -9.203 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.335 8.986 -8.907 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.655 10.105 -9.180 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.606 9.729 -6.669 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.301 10.112 -6.893 1.00 0.00 H new ATOM 324 N ARG A 22 -0.880 6.409 -7.954 1.00 0.00 N ATOM 325 CA ARG A 22 0.202 5.398 -8.126 1.00 0.00 C ATOM 326 C ARG A 22 0.085 4.355 -7.014 1.00 0.00 C ATOM 327 O ARG A 22 0.459 3.210 -7.173 1.00 0.00 O ATOM 328 CB ARG A 22 1.565 6.093 -8.041 1.00 0.00 C ATOM 329 CG ARG A 22 1.664 7.162 -9.136 1.00 0.00 C ATOM 330 CD ARG A 22 2.922 8.006 -8.920 1.00 0.00 C ATOM 331 NE ARG A 22 2.828 8.712 -7.609 1.00 0.00 N ATOM 332 CZ ARG A 22 3.709 9.622 -7.289 1.00 0.00 C ATOM 333 NH1 ARG A 22 4.679 9.916 -8.112 1.00 0.00 N ATOM 334 NH2 ARG A 22 3.619 10.239 -6.142 1.00 0.00 N ATOM 0 H ARG A 22 -0.562 7.369 -7.817 1.00 0.00 H new ATOM 0 HA ARG A 22 0.108 4.912 -9.097 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.691 6.550 -7.060 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.365 5.362 -8.158 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.696 6.689 -10.118 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.779 7.799 -9.117 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.807 7.370 -8.940 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.031 8.730 -9.728 1.00 0.00 H new ATOM 0 HE ARG A 22 2.074 8.484 -6.961 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.751 9.435 -9.008 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.365 10.627 -7.859 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.862 10.010 -5.498 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.306 10.950 -5.890 1.00 0.00 H new ATOM 348 N VAL A 23 -0.446 4.750 -5.890 1.00 0.00 N ATOM 349 CA VAL A 23 -0.611 3.801 -4.753 1.00 0.00 C ATOM 350 C VAL A 23 -1.769 2.854 -5.062 1.00 0.00 C ATOM 351 O VAL A 23 -1.625 1.649 -5.015 1.00 0.00 O ATOM 352 CB VAL A 23 -0.894 4.602 -3.477 1.00 0.00 C ATOM 353 CG1 VAL A 23 -1.193 3.655 -2.305 1.00 0.00 C ATOM 354 CG2 VAL A 23 0.336 5.455 -3.148 1.00 0.00 C ATOM 0 H VAL A 23 -0.776 5.698 -5.709 1.00 0.00 H new ATOM 0 HA VAL A 23 0.295 3.213 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.763 5.241 -3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.392 4.239 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.066 3.046 -2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.334 3.006 -2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.148 6.030 -2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.198 4.806 -2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.538 6.136 -3.975 1.00 0.00 H new ATOM 364 N GLN A 24 -2.914 3.386 -5.399 1.00 0.00 N ATOM 365 CA GLN A 24 -4.070 2.506 -5.733 1.00 0.00 C ATOM 366 C GLN A 24 -3.624 1.513 -6.808 1.00 0.00 C ATOM 367 O GLN A 24 -4.045 0.375 -6.839 1.00 0.00 O ATOM 368 CB GLN A 24 -5.231 3.362 -6.260 1.00 0.00 C ATOM 369 CG GLN A 24 -6.502 2.509 -6.378 1.00 0.00 C ATOM 370 CD GLN A 24 -7.025 2.163 -4.982 1.00 0.00 C ATOM 371 OE1 GLN A 24 -6.897 1.041 -4.533 1.00 0.00 O ATOM 372 NE2 GLN A 24 -7.615 3.086 -4.272 1.00 0.00 N ATOM 0 H GLN A 24 -3.098 4.388 -5.457 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.406 1.968 -4.846 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.408 4.202 -5.588 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.973 3.781 -7.233 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.264 3.051 -6.938 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.288 1.596 -6.933 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.723 4.028 -4.648 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.968 2.865 -3.341 1.00 0.00 H new ATOM 381 N ALA A 25 -2.757 1.945 -7.682 1.00 0.00 N ATOM 382 CA ALA A 25 -2.254 1.045 -8.755 1.00 0.00 C ATOM 383 C ALA A 25 -1.344 -0.012 -8.133 1.00 0.00 C ATOM 384 O ALA A 25 -1.285 -1.138 -8.584 1.00 0.00 O ATOM 385 CB ALA A 25 -1.460 1.872 -9.768 1.00 0.00 C ATOM 0 H ALA A 25 -2.373 2.890 -7.698 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.090 0.557 -9.257 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.088 1.220 -10.558 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.107 2.635 -10.202 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.619 2.352 -9.267 1.00 0.00 H new ATOM 391 N ALA A 26 -0.636 0.341 -7.097 1.00 0.00 N ATOM 392 CA ALA A 26 0.265 -0.645 -6.443 1.00 0.00 C ATOM 393 C ALA A 26 -0.579 -1.736 -5.782 1.00 0.00 C ATOM 394 O ALA A 26 -0.304 -2.912 -5.913 1.00 0.00 O ATOM 395 CB ALA A 26 1.111 0.063 -5.383 1.00 0.00 C ATOM 0 H ALA A 26 -0.643 1.270 -6.676 1.00 0.00 H new ATOM 0 HA ALA A 26 0.922 -1.093 -7.188 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.772 -0.659 -4.903 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.708 0.843 -5.855 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.457 0.510 -4.634 1.00 0.00 H new ATOM 401 N LEU A 27 -1.608 -1.355 -5.074 1.00 0.00 N ATOM 402 CA LEU A 27 -2.473 -2.370 -4.406 1.00 0.00 C ATOM 403 C LEU A 27 -3.297 -3.099 -5.471 1.00 0.00 C ATOM 404 O LEU A 27 -3.397 -4.310 -5.468 1.00 0.00 O ATOM 405 CB LEU A 27 -3.408 -1.670 -3.405 1.00 0.00 C ATOM 406 CG LEU A 27 -2.659 -1.375 -2.098 1.00 0.00 C ATOM 407 CD1 LEU A 27 -1.494 -0.412 -2.363 1.00 0.00 C ATOM 408 CD2 LEU A 27 -3.627 -0.741 -1.097 1.00 0.00 C ATOM 0 H LEU A 27 -1.887 -0.385 -4.929 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.855 -3.090 -3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.784 -0.742 -3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.274 -2.301 -3.202 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.263 -2.306 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.970 -0.210 -1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.804 -0.863 -3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.880 0.522 -2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.101 -0.529 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.022 0.187 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.449 -1.429 -0.900 1.00 0.00 H new ATOM 420 N MET A 28 -3.879 -2.377 -6.389 1.00 0.00 N ATOM 421 CA MET A 28 -4.680 -3.045 -7.454 1.00 0.00 C ATOM 422 C MET A 28 -3.769 -4.015 -8.208 1.00 0.00 C ATOM 423 O MET A 28 -4.159 -5.116 -8.544 1.00 0.00 O ATOM 424 CB MET A 28 -5.237 -1.991 -8.420 1.00 0.00 C ATOM 425 CG MET A 28 -6.377 -1.216 -7.748 1.00 0.00 C ATOM 426 SD MET A 28 -7.837 -2.278 -7.625 1.00 0.00 S ATOM 427 CE MET A 28 -9.058 -0.960 -7.412 1.00 0.00 C ATOM 0 H MET A 28 -3.835 -1.360 -6.448 1.00 0.00 H new ATOM 0 HA MET A 28 -5.515 -3.588 -7.011 1.00 0.00 H new ATOM 0 HB2 MET A 28 -4.445 -1.304 -8.718 1.00 0.00 H new ATOM 0 HB3 MET A 28 -5.599 -2.473 -9.328 1.00 0.00 H new ATOM 0 HG2 MET A 28 -6.070 -0.885 -6.756 1.00 0.00 H new ATOM 0 HG3 MET A 28 -6.612 -0.321 -8.324 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.052 -1.397 -7.314 1.00 0.00 H new ATOM 0 HE2 MET A 28 -8.823 -0.388 -6.514 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.036 -0.300 -8.279 1.00 0.00 H new ATOM 437 N GLU A 29 -2.549 -3.620 -8.459 1.00 0.00 N ATOM 438 CA GLU A 29 -1.605 -4.525 -9.171 1.00 0.00 C ATOM 439 C GLU A 29 -1.169 -5.628 -8.208 1.00 0.00 C ATOM 440 O GLU A 29 -0.907 -6.746 -8.605 1.00 0.00 O ATOM 441 CB GLU A 29 -0.375 -3.733 -9.632 1.00 0.00 C ATOM 442 CG GLU A 29 0.498 -4.609 -10.546 1.00 0.00 C ATOM 443 CD GLU A 29 -0.190 -4.786 -11.902 1.00 0.00 C ATOM 444 OE1 GLU A 29 -0.976 -5.710 -12.029 1.00 0.00 O ATOM 445 OE2 GLU A 29 0.082 -3.994 -12.789 1.00 0.00 O ATOM 0 H GLU A 29 -2.167 -2.710 -8.201 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.094 -4.959 -10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.688 -2.835 -10.165 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.203 -3.405 -8.768 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.476 -4.148 -10.681 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.665 -5.581 -10.083 1.00 0.00 H new ATOM 452 N CYS A 30 -1.088 -5.321 -6.940 1.00 0.00 N ATOM 453 CA CYS A 30 -0.666 -6.356 -5.950 1.00 0.00 C ATOM 454 C CYS A 30 -1.543 -7.600 -6.111 1.00 0.00 C ATOM 455 O CYS A 30 -1.109 -8.712 -5.884 1.00 0.00 O ATOM 456 CB CYS A 30 -0.809 -5.805 -4.528 1.00 0.00 C ATOM 457 SG CYS A 30 -0.033 -6.947 -3.359 1.00 0.00 S ATOM 0 H CYS A 30 -1.295 -4.402 -6.548 1.00 0.00 H new ATOM 0 HA CYS A 30 0.377 -6.620 -6.126 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.342 -4.823 -4.458 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.863 -5.675 -4.281 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.107 -8.159 -3.823 1.00 0.00 H new ATOM 463 N SER A 31 -2.775 -7.419 -6.505 1.00 0.00 N ATOM 464 CA SER A 31 -3.683 -8.578 -6.685 1.00 0.00 C ATOM 465 C SER A 31 -3.013 -9.625 -7.579 1.00 0.00 C ATOM 466 O SER A 31 -3.231 -10.812 -7.432 1.00 0.00 O ATOM 467 CB SER A 31 -4.984 -8.109 -7.338 1.00 0.00 C ATOM 468 OG SER A 31 -4.718 -7.698 -8.673 1.00 0.00 O ATOM 0 H SER A 31 -3.190 -6.510 -6.710 1.00 0.00 H new ATOM 0 HA SER A 31 -3.901 -9.020 -5.713 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.718 -8.915 -7.333 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.413 -7.284 -6.770 1.00 0.00 H new ATOM 0 HG SER A 31 -4.504 -6.742 -8.684 1.00 0.00 H new ATOM 474 N GLU A 32 -2.198 -9.196 -8.507 1.00 0.00 N ATOM 475 CA GLU A 32 -1.518 -10.170 -9.407 1.00 0.00 C ATOM 476 C GLU A 32 -0.476 -10.954 -8.609 1.00 0.00 C ATOM 477 O GLU A 32 -0.506 -12.167 -8.561 1.00 0.00 O ATOM 478 CB GLU A 32 -0.822 -9.416 -10.544 1.00 0.00 C ATOM 479 CG GLU A 32 -1.868 -8.745 -11.442 1.00 0.00 C ATOM 480 CD GLU A 32 -2.641 -9.811 -12.222 1.00 0.00 C ATOM 481 OE1 GLU A 32 -2.021 -10.772 -12.649 1.00 0.00 O ATOM 482 OE2 GLU A 32 -3.840 -9.649 -12.380 1.00 0.00 O ATOM 0 H GLU A 32 -1.975 -8.216 -8.679 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.255 -10.857 -9.823 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.146 -8.665 -10.134 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.215 -10.105 -11.131 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.555 -8.154 -10.837 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.380 -8.058 -12.133 1.00 0.00 H new ATOM 489 N ASN A 33 0.443 -10.271 -7.976 1.00 0.00 N ATOM 490 CA ASN A 33 1.485 -10.983 -7.175 1.00 0.00 C ATOM 491 C ASN A 33 2.513 -9.954 -6.665 1.00 0.00 C ATOM 492 O ASN A 33 2.605 -8.863 -7.190 1.00 0.00 O ATOM 493 CB ASN A 33 2.190 -12.039 -8.065 1.00 0.00 C ATOM 494 CG ASN A 33 1.671 -13.447 -7.742 1.00 0.00 C ATOM 495 OD1 ASN A 33 1.634 -13.847 -6.500 1.00 0.00 O flip ATOM 496 ND2 ASN A 33 1.297 -14.188 -8.629 1.00 0.00 N flip ATOM 0 H ASN A 33 0.517 -9.254 -7.979 1.00 0.00 H new ATOM 0 HA ASN A 33 1.023 -11.487 -6.326 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.014 -11.813 -9.117 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.267 -11.997 -7.906 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.325 -13.876 -9.600 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.954 -15.122 -8.403 1.00 0.00 H new ATOM 503 N PRO A 34 3.290 -10.300 -5.659 1.00 0.00 N ATOM 504 CA PRO A 34 4.332 -9.384 -5.099 1.00 0.00 C ATOM 505 C PRO A 34 5.170 -8.710 -6.196 1.00 0.00 C ATOM 506 O PRO A 34 5.939 -7.806 -5.935 1.00 0.00 O ATOM 507 CB PRO A 34 5.207 -10.317 -4.248 1.00 0.00 C ATOM 508 CG PRO A 34 4.279 -11.397 -3.796 1.00 0.00 C ATOM 509 CD PRO A 34 3.266 -11.592 -4.935 1.00 0.00 C ATOM 0 HA PRO A 34 3.891 -8.561 -4.536 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.035 -10.723 -4.829 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.642 -9.788 -3.400 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.823 -12.320 -3.596 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.776 -11.117 -2.871 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.550 -12.419 -5.585 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.271 -11.816 -4.551 1.00 0.00 H new ATOM 517 N MET A 35 5.029 -9.146 -7.418 1.00 0.00 N ATOM 518 CA MET A 35 5.816 -8.536 -8.523 1.00 0.00 C ATOM 519 C MET A 35 5.404 -7.075 -8.677 1.00 0.00 C ATOM 520 O MET A 35 6.001 -6.323 -9.421 1.00 0.00 O ATOM 521 CB MET A 35 5.535 -9.284 -9.829 1.00 0.00 C ATOM 522 CG MET A 35 5.872 -10.769 -9.660 1.00 0.00 C ATOM 523 SD MET A 35 7.662 -10.966 -9.451 1.00 0.00 S ATOM 524 CE MET A 35 8.096 -11.132 -11.201 1.00 0.00 C ATOM 0 H MET A 35 4.401 -9.900 -7.698 1.00 0.00 H new ATOM 0 HA MET A 35 6.880 -8.600 -8.294 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.487 -9.169 -10.106 1.00 0.00 H new ATOM 0 HB3 MET A 35 6.128 -8.857 -10.638 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.348 -11.175 -8.795 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.533 -11.331 -10.531 1.00 0.00 H new ATOM 0 HE1 MET A 35 9.174 -11.265 -11.298 1.00 0.00 H new ATOM 0 HE2 MET A 35 7.584 -11.997 -11.622 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.792 -10.234 -11.738 1.00 0.00 H new ATOM 534 N ASN A 36 4.379 -6.672 -7.981 1.00 0.00 N ATOM 535 CA ASN A 36 3.916 -5.264 -8.087 1.00 0.00 C ATOM 536 C ASN A 36 5.031 -4.319 -7.642 1.00 0.00 C ATOM 537 O ASN A 36 5.508 -3.498 -8.400 1.00 0.00 O ATOM 538 CB ASN A 36 2.696 -5.053 -7.178 1.00 0.00 C ATOM 539 CG ASN A 36 2.931 -5.755 -5.840 1.00 0.00 C ATOM 540 OD1 ASN A 36 2.718 -6.944 -5.719 1.00 0.00 O ATOM 541 ND2 ASN A 36 3.364 -5.063 -4.821 1.00 0.00 N ATOM 0 H ASN A 36 3.842 -7.259 -7.343 1.00 0.00 H new ATOM 0 HA ASN A 36 3.648 -5.056 -9.123 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.528 -3.988 -7.018 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.800 -5.449 -7.656 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.523 -5.521 -3.924 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.543 -4.064 -4.922 1.00 0.00 H new ATOM 548 N ILE A 37 5.427 -4.418 -6.407 1.00 0.00 N ATOM 549 CA ILE A 37 6.483 -3.515 -5.886 1.00 0.00 C ATOM 550 C ILE A 37 7.785 -3.728 -6.663 1.00 0.00 C ATOM 551 O ILE A 37 8.566 -2.815 -6.844 1.00 0.00 O ATOM 552 CB ILE A 37 6.681 -3.795 -4.383 1.00 0.00 C ATOM 553 CG1 ILE A 37 7.429 -2.621 -3.722 1.00 0.00 C ATOM 554 CG2 ILE A 37 7.475 -5.096 -4.178 1.00 0.00 C ATOM 555 CD1 ILE A 37 6.555 -1.353 -3.717 1.00 0.00 C ATOM 0 H ILE A 37 5.062 -5.090 -5.733 1.00 0.00 H new ATOM 0 HA ILE A 37 6.184 -2.475 -6.016 1.00 0.00 H new ATOM 0 HB ILE A 37 5.700 -3.904 -3.920 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.701 -2.886 -2.700 1.00 0.00 H new ATOM 0 HG13 ILE A 37 8.358 -2.427 -4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.606 -5.278 -3.111 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.931 -5.928 -4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.452 -5.005 -4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.102 -0.536 -3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.305 -1.079 -4.742 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.638 -1.545 -3.159 1.00 0.00 H new ATOM 567 N MET A 38 8.020 -4.921 -7.133 1.00 0.00 N ATOM 568 CA MET A 38 9.265 -5.180 -7.905 1.00 0.00 C ATOM 569 C MET A 38 9.301 -4.244 -9.114 1.00 0.00 C ATOM 570 O MET A 38 10.340 -4.005 -9.697 1.00 0.00 O ATOM 571 CB MET A 38 9.276 -6.634 -8.379 1.00 0.00 C ATOM 572 CG MET A 38 9.396 -7.568 -7.171 1.00 0.00 C ATOM 573 SD MET A 38 9.630 -9.268 -7.744 1.00 0.00 S ATOM 574 CE MET A 38 10.337 -9.928 -6.214 1.00 0.00 C ATOM 0 H MET A 38 7.405 -5.726 -7.016 1.00 0.00 H new ATOM 0 HA MET A 38 10.137 -5.002 -7.276 1.00 0.00 H new ATOM 0 HB2 MET A 38 8.363 -6.854 -8.932 1.00 0.00 H new ATOM 0 HB3 MET A 38 10.109 -6.798 -9.062 1.00 0.00 H new ATOM 0 HG2 MET A 38 10.236 -7.265 -6.545 1.00 0.00 H new ATOM 0 HG3 MET A 38 8.499 -7.501 -6.555 1.00 0.00 H new ATOM 0 HE1 MET A 38 10.562 -10.986 -6.344 1.00 0.00 H new ATOM 0 HE2 MET A 38 11.253 -9.389 -5.974 1.00 0.00 H new ATOM 0 HE3 MET A 38 9.622 -9.807 -5.401 1.00 0.00 H new ATOM 584 N LYS A 39 8.165 -3.709 -9.487 1.00 0.00 N ATOM 585 CA LYS A 39 8.100 -2.773 -10.652 1.00 0.00 C ATOM 586 C LYS A 39 8.076 -1.333 -10.137 1.00 0.00 C ATOM 587 O LYS A 39 8.757 -0.468 -10.650 1.00 0.00 O ATOM 588 CB LYS A 39 6.821 -3.048 -11.450 1.00 0.00 C ATOM 589 CG LYS A 39 6.853 -4.480 -12.000 1.00 0.00 C ATOM 590 CD LYS A 39 5.465 -4.871 -12.530 1.00 0.00 C ATOM 591 CE LYS A 39 5.069 -3.964 -13.704 1.00 0.00 C ATOM 592 NZ LYS A 39 3.950 -4.596 -14.459 1.00 0.00 N ATOM 0 H LYS A 39 7.270 -3.883 -9.029 1.00 0.00 H new ATOM 0 HA LYS A 39 8.969 -2.920 -11.293 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.947 -2.912 -10.813 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.732 -2.335 -12.270 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.591 -4.555 -12.799 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.160 -5.172 -11.216 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.471 -5.912 -12.852 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.727 -4.788 -11.732 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.766 -2.984 -13.335 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.924 -3.807 -14.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.679 -3.984 -15.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.255 -5.522 -14.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.134 -4.724 -13.827 1.00 0.00 H new ATOM 606 N TYR A 40 7.297 -1.069 -9.120 1.00 0.00 N ATOM 607 CA TYR A 40 7.226 0.309 -8.562 1.00 0.00 C ATOM 608 C TYR A 40 8.471 0.574 -7.720 1.00 0.00 C ATOM 609 O TYR A 40 8.586 1.591 -7.065 1.00 0.00 O ATOM 610 CB TYR A 40 5.982 0.433 -7.683 1.00 0.00 C ATOM 611 CG TYR A 40 4.760 0.063 -8.490 1.00 0.00 C ATOM 612 CD1 TYR A 40 4.372 0.876 -9.559 1.00 0.00 C ATOM 613 CD2 TYR A 40 4.019 -1.086 -8.179 1.00 0.00 C ATOM 614 CE1 TYR A 40 3.247 0.545 -10.320 1.00 0.00 C ATOM 615 CE2 TYR A 40 2.893 -1.417 -8.940 1.00 0.00 C ATOM 616 CZ TYR A 40 2.507 -0.602 -10.012 1.00 0.00 C ATOM 617 OH TYR A 40 1.396 -0.930 -10.763 1.00 0.00 O ATOM 0 H TYR A 40 6.705 -1.755 -8.651 1.00 0.00 H new ATOM 0 HA TYR A 40 7.173 1.034 -9.374 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.070 -0.220 -6.815 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.889 1.452 -7.307 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.942 1.762 -9.797 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.317 -1.715 -7.353 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.949 1.174 -11.145 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.321 -2.301 -8.701 1.00 0.00 H new ATOM 0 HH TYR A 40 1.282 -1.903 -10.771 1.00 0.00 H new ATOM 627 N GLN A 41 9.408 -0.335 -7.734 1.00 0.00 N ATOM 628 CA GLN A 41 10.651 -0.141 -6.937 1.00 0.00 C ATOM 629 C GLN A 41 11.254 1.228 -7.262 1.00 0.00 C ATOM 630 O GLN A 41 11.932 1.828 -6.451 1.00 0.00 O ATOM 631 CB GLN A 41 11.652 -1.246 -7.286 1.00 0.00 C ATOM 632 CG GLN A 41 11.772 -1.367 -8.807 1.00 0.00 C ATOM 633 CD GLN A 41 12.865 -2.380 -9.153 1.00 0.00 C ATOM 634 OE1 GLN A 41 13.136 -3.342 -8.314 1.00 0.00 O flip ATOM 635 NE2 GLN A 41 13.478 -2.295 -10.199 1.00 0.00 N flip ATOM 0 H GLN A 41 9.365 -1.205 -8.264 1.00 0.00 H new ATOM 0 HA GLN A 41 10.419 -0.187 -5.873 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.625 -1.020 -6.851 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.325 -2.195 -6.860 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.820 -1.683 -9.234 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.010 -0.396 -9.242 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.266 -1.543 -10.855 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.204 -2.976 -10.421 1.00 0.00 H new ATOM 644 N ASN A 42 11.003 1.728 -8.442 1.00 0.00 N ATOM 645 CA ASN A 42 11.549 3.062 -8.824 1.00 0.00 C ATOM 646 C ASN A 42 10.606 4.151 -8.312 1.00 0.00 C ATOM 647 O ASN A 42 11.002 5.282 -8.108 1.00 0.00 O ATOM 648 CB ASN A 42 11.656 3.153 -10.349 1.00 0.00 C ATOM 649 CG ASN A 42 10.272 2.967 -10.975 1.00 0.00 C ATOM 650 OD1 ASN A 42 9.735 1.778 -10.998 1.00 0.00 O flip ATOM 651 ND2 ASN A 42 9.674 3.913 -11.448 1.00 0.00 N flip ATOM 0 H ASN A 42 10.442 1.269 -9.159 1.00 0.00 H new ATOM 0 HA ASN A 42 12.538 3.195 -8.386 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.069 4.120 -10.637 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.340 2.390 -10.721 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.094 4.842 -11.430 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.752 3.778 -11.863 1.00 0.00 H new ATOM 658 N ASP A 43 9.358 3.820 -8.101 1.00 0.00 N ATOM 659 CA ASP A 43 8.391 4.840 -7.601 1.00 0.00 C ATOM 660 C ASP A 43 8.612 5.051 -6.097 1.00 0.00 C ATOM 661 O ASP A 43 8.011 4.392 -5.271 1.00 0.00 O ATOM 662 CB ASP A 43 6.960 4.342 -7.857 1.00 0.00 C ATOM 663 CG ASP A 43 5.975 5.512 -7.773 1.00 0.00 C ATOM 664 OD1 ASP A 43 6.370 6.564 -7.296 1.00 0.00 O ATOM 665 OD2 ASP A 43 4.841 5.335 -8.185 1.00 0.00 O ATOM 0 H ASP A 43 8.968 2.890 -8.253 1.00 0.00 H new ATOM 0 HA ASP A 43 8.542 5.786 -8.121 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.899 3.875 -8.840 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.695 3.580 -7.125 1.00 0.00 H new ATOM 670 N LYS A 44 9.480 5.960 -5.738 1.00 0.00 N ATOM 671 CA LYS A 44 9.760 6.210 -4.300 1.00 0.00 C ATOM 672 C LYS A 44 8.450 6.414 -3.530 1.00 0.00 C ATOM 673 O LYS A 44 8.374 6.164 -2.343 1.00 0.00 O ATOM 674 CB LYS A 44 10.630 7.462 -4.164 1.00 0.00 C ATOM 675 CG LYS A 44 11.061 7.633 -2.705 1.00 0.00 C ATOM 676 CD LYS A 44 12.048 8.798 -2.597 1.00 0.00 C ATOM 677 CE LYS A 44 12.460 8.984 -1.136 1.00 0.00 C ATOM 678 NZ LYS A 44 13.169 7.763 -0.660 1.00 0.00 N ATOM 0 H LYS A 44 10.009 6.542 -6.387 1.00 0.00 H new ATOM 0 HA LYS A 44 10.283 5.348 -3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.507 7.379 -4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.075 8.340 -4.495 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.190 7.821 -2.077 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.524 6.716 -2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.927 8.602 -3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.591 9.712 -2.976 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.108 9.855 -1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.580 9.170 -0.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.735 7.996 0.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.473 7.030 -0.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.795 7.410 -1.411 1.00 0.00 H new ATOM 692 N GLU A 45 7.422 6.867 -4.192 1.00 0.00 N ATOM 693 CA GLU A 45 6.125 7.086 -3.491 1.00 0.00 C ATOM 694 C GLU A 45 5.547 5.735 -3.055 1.00 0.00 C ATOM 695 O GLU A 45 5.162 5.551 -1.918 1.00 0.00 O ATOM 696 CB GLU A 45 5.145 7.787 -4.442 1.00 0.00 C ATOM 697 CG GLU A 45 3.903 8.254 -3.669 1.00 0.00 C ATOM 698 CD GLU A 45 4.272 9.423 -2.752 1.00 0.00 C ATOM 699 OE1 GLU A 45 4.506 10.504 -3.267 1.00 0.00 O ATOM 700 OE2 GLU A 45 4.315 9.216 -1.550 1.00 0.00 O ATOM 0 H GLU A 45 7.423 7.095 -5.186 1.00 0.00 H new ATOM 0 HA GLU A 45 6.284 7.710 -2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.632 8.641 -4.914 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.851 7.106 -5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.123 8.559 -4.366 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.499 7.431 -3.079 1.00 0.00 H new ATOM 707 N VAL A 46 5.481 4.791 -3.954 1.00 0.00 N ATOM 708 CA VAL A 46 4.924 3.457 -3.598 1.00 0.00 C ATOM 709 C VAL A 46 5.858 2.757 -2.607 1.00 0.00 C ATOM 710 O VAL A 46 5.422 2.063 -1.722 1.00 0.00 O ATOM 711 CB VAL A 46 4.804 2.595 -4.856 1.00 0.00 C ATOM 712 CG1 VAL A 46 4.162 1.249 -4.502 1.00 0.00 C ATOM 713 CG2 VAL A 46 3.934 3.314 -5.891 1.00 0.00 C ATOM 0 H VAL A 46 5.790 4.887 -4.921 1.00 0.00 H new ATOM 0 HA VAL A 46 3.940 3.592 -3.148 1.00 0.00 H new ATOM 0 HB VAL A 46 5.798 2.426 -5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.078 0.638 -5.401 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.781 0.732 -3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.169 1.418 -4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.850 2.698 -6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.941 3.487 -5.475 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.391 4.269 -6.149 1.00 0.00 H new ATOM 723 N MET A 47 7.139 2.923 -2.750 1.00 0.00 N ATOM 724 CA MET A 47 8.079 2.249 -1.808 1.00 0.00 C ATOM 725 C MET A 47 7.857 2.796 -0.399 1.00 0.00 C ATOM 726 O MET A 47 7.820 2.064 0.562 1.00 0.00 O ATOM 727 CB MET A 47 9.525 2.514 -2.244 1.00 0.00 C ATOM 728 CG MET A 47 9.826 1.749 -3.538 1.00 0.00 C ATOM 729 SD MET A 47 9.936 -0.025 -3.181 1.00 0.00 S ATOM 730 CE MET A 47 11.701 -0.083 -2.780 1.00 0.00 C ATOM 0 H MET A 47 7.578 3.492 -3.473 1.00 0.00 H new ATOM 0 HA MET A 47 7.896 1.175 -1.815 1.00 0.00 H new ATOM 0 HB2 MET A 47 9.678 3.582 -2.398 1.00 0.00 H new ATOM 0 HB3 MET A 47 10.214 2.203 -1.459 1.00 0.00 H new ATOM 0 HG2 MET A 47 9.043 1.935 -4.273 1.00 0.00 H new ATOM 0 HG3 MET A 47 10.761 2.102 -3.972 1.00 0.00 H new ATOM 0 HE1 MET A 47 11.983 -1.105 -2.526 1.00 0.00 H new ATOM 0 HE2 MET A 47 12.281 0.250 -3.641 1.00 0.00 H new ATOM 0 HE3 MET A 47 11.903 0.571 -1.931 1.00 0.00 H new ATOM 740 N ASP A 48 7.711 4.079 -0.275 1.00 0.00 N ATOM 741 CA ASP A 48 7.495 4.689 1.067 1.00 0.00 C ATOM 742 C ASP A 48 6.250 4.093 1.734 1.00 0.00 C ATOM 743 O ASP A 48 6.279 3.648 2.867 1.00 0.00 O ATOM 744 CB ASP A 48 7.273 6.194 0.878 1.00 0.00 C ATOM 745 CG ASP A 48 8.600 6.876 0.532 1.00 0.00 C ATOM 746 OD1 ASP A 48 9.456 6.211 -0.028 1.00 0.00 O ATOM 747 OD2 ASP A 48 8.735 8.050 0.832 1.00 0.00 O ATOM 0 H ASP A 48 7.732 4.741 -1.051 1.00 0.00 H new ATOM 0 HA ASP A 48 8.363 4.493 1.697 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.547 6.367 0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.858 6.627 1.788 1.00 0.00 H new ATOM 752 N VAL A 49 5.152 4.124 1.042 1.00 0.00 N ATOM 753 CA VAL A 49 3.873 3.618 1.609 1.00 0.00 C ATOM 754 C VAL A 49 3.873 2.090 1.701 1.00 0.00 C ATOM 755 O VAL A 49 3.444 1.529 2.687 1.00 0.00 O ATOM 756 CB VAL A 49 2.735 4.089 0.695 1.00 0.00 C ATOM 757 CG1 VAL A 49 2.936 3.521 -0.704 1.00 0.00 C ATOM 758 CG2 VAL A 49 1.383 3.636 1.248 1.00 0.00 C ATOM 0 H VAL A 49 5.083 4.485 0.090 1.00 0.00 H new ATOM 0 HA VAL A 49 3.743 4.005 2.620 1.00 0.00 H new ATOM 0 HB VAL A 49 2.746 5.178 0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.127 3.856 -1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.889 3.868 -1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.936 2.432 -0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.586 3.979 0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.361 2.548 1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.237 4.058 2.242 1.00 0.00 H new ATOM 768 N PHE A 50 4.320 1.407 0.681 1.00 0.00 N ATOM 769 CA PHE A 50 4.302 -0.084 0.724 1.00 0.00 C ATOM 770 C PHE A 50 5.344 -0.596 1.729 1.00 0.00 C ATOM 771 O PHE A 50 5.170 -1.637 2.334 1.00 0.00 O ATOM 772 CB PHE A 50 4.564 -0.652 -0.689 1.00 0.00 C ATOM 773 CG PHE A 50 3.640 -1.827 -0.940 1.00 0.00 C ATOM 774 CD1 PHE A 50 2.265 -1.599 -1.077 1.00 0.00 C ATOM 775 CD2 PHE A 50 4.144 -3.130 -1.026 1.00 0.00 C ATOM 776 CE1 PHE A 50 1.395 -2.668 -1.302 1.00 0.00 C ATOM 777 CE2 PHE A 50 3.273 -4.201 -1.252 1.00 0.00 C ATOM 778 CZ PHE A 50 1.898 -3.971 -1.390 1.00 0.00 C ATOM 0 H PHE A 50 4.695 1.814 -0.176 1.00 0.00 H new ATOM 0 HA PHE A 50 3.320 -0.425 1.053 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.399 0.121 -1.440 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.604 -0.967 -0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.876 -0.594 -1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.204 -3.308 -0.918 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.335 -2.489 -1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.661 -5.207 -1.320 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.227 -4.799 -1.564 1.00 0.00 H new ATOM 788 N ASN A 51 6.410 0.131 1.935 1.00 0.00 N ATOM 789 CA ASN A 51 7.432 -0.319 2.922 1.00 0.00 C ATOM 790 C ASN A 51 6.872 -0.068 4.315 1.00 0.00 C ATOM 791 O ASN A 51 7.177 -0.767 5.261 1.00 0.00 O ATOM 792 CB ASN A 51 8.727 0.477 2.740 1.00 0.00 C ATOM 793 CG ASN A 51 9.384 0.092 1.412 1.00 0.00 C ATOM 794 OD1 ASN A 51 8.651 -0.413 0.458 1.00 0.00 O flip ATOM 795 ND2 ASN A 51 10.577 0.252 1.242 1.00 0.00 N flip ATOM 0 H ASN A 51 6.616 1.012 1.465 1.00 0.00 H new ATOM 0 HA ASN A 51 7.655 -1.376 2.778 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.514 1.546 2.756 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.409 0.276 3.566 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.150 0.647 1.988 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.005 -0.009 0.354 1.00 0.00 H new ATOM 802 N LYS A 52 6.033 0.924 4.440 1.00 0.00 N ATOM 803 CA LYS A 52 5.426 1.223 5.765 1.00 0.00 C ATOM 804 C LYS A 52 4.315 0.211 6.012 1.00 0.00 C ATOM 805 O LYS A 52 4.219 -0.397 7.060 1.00 0.00 O ATOM 806 CB LYS A 52 4.830 2.634 5.750 1.00 0.00 C ATOM 807 CG LYS A 52 4.378 3.010 7.161 1.00 0.00 C ATOM 808 CD LYS A 52 3.723 4.400 7.152 1.00 0.00 C ATOM 809 CE LYS A 52 4.738 5.480 6.731 1.00 0.00 C ATOM 810 NZ LYS A 52 4.738 5.610 5.246 1.00 0.00 N ATOM 0 H LYS A 52 5.742 1.540 3.681 1.00 0.00 H new ATOM 0 HA LYS A 52 6.181 1.164 6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.570 3.349 5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.985 2.677 5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.672 2.269 7.535 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.232 3.006 7.838 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.876 4.403 6.466 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.331 4.629 8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.481 6.435 7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.735 5.215 7.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.679 5.366 4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.029 4.966 4.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.506 6.589 4.983 1.00 0.00 H new ATOM 824 N ILE A 53 3.481 0.034 5.033 1.00 0.00 N ATOM 825 CA ILE A 53 2.358 -0.931 5.147 1.00 0.00 C ATOM 826 C ILE A 53 2.915 -2.298 5.558 1.00 0.00 C ATOM 827 O ILE A 53 2.263 -3.075 6.212 1.00 0.00 O ATOM 828 CB ILE A 53 1.656 -1.006 3.760 1.00 0.00 C ATOM 829 CG1 ILE A 53 0.286 -0.307 3.809 1.00 0.00 C ATOM 830 CG2 ILE A 53 1.476 -2.453 3.277 1.00 0.00 C ATOM 831 CD1 ILE A 53 -0.692 -1.047 4.737 1.00 0.00 C ATOM 0 H ILE A 53 3.530 0.526 4.141 1.00 0.00 H new ATOM 0 HA ILE A 53 1.637 -0.618 5.902 1.00 0.00 H new ATOM 0 HB ILE A 53 2.305 -0.493 3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.412 0.719 4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.133 -0.255 2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.982 -2.453 2.305 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.452 -2.931 3.188 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.867 -3.003 3.994 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.649 -0.525 4.747 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.837 -2.065 4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.284 -1.076 5.747 1.00 0.00 H new ATOM 843 N SER A 54 4.101 -2.606 5.130 1.00 0.00 N ATOM 844 CA SER A 54 4.701 -3.936 5.454 1.00 0.00 C ATOM 845 C SER A 54 5.339 -3.945 6.848 1.00 0.00 C ATOM 846 O SER A 54 5.376 -4.959 7.515 1.00 0.00 O ATOM 847 CB SER A 54 5.773 -4.250 4.414 1.00 0.00 C ATOM 848 OG SER A 54 6.102 -5.632 4.478 1.00 0.00 O ATOM 0 H SER A 54 4.690 -1.994 4.565 1.00 0.00 H new ATOM 0 HA SER A 54 3.909 -4.685 5.442 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.413 -3.996 3.417 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.661 -3.645 4.596 1.00 0.00 H new ATOM 0 HG SER A 54 6.789 -5.836 3.810 1.00 0.00 H new ATOM 854 N GLN A 55 5.889 -2.841 7.271 1.00 0.00 N ATOM 855 CA GLN A 55 6.581 -2.807 8.603 1.00 0.00 C ATOM 856 C GLN A 55 5.591 -2.568 9.746 1.00 0.00 C ATOM 857 O GLN A 55 5.653 -3.213 10.774 1.00 0.00 O ATOM 858 CB GLN A 55 7.622 -1.679 8.594 1.00 0.00 C ATOM 859 CG GLN A 55 8.752 -2.020 7.613 1.00 0.00 C ATOM 860 CD GLN A 55 9.613 -3.149 8.186 1.00 0.00 C ATOM 861 OE1 GLN A 55 10.104 -3.052 9.294 1.00 0.00 O ATOM 862 NE2 GLN A 55 9.818 -4.223 7.474 1.00 0.00 N ATOM 0 H GLN A 55 5.893 -1.959 6.758 1.00 0.00 H new ATOM 0 HA GLN A 55 7.059 -3.773 8.766 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.150 -0.739 8.307 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.028 -1.539 9.596 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.334 -2.321 6.653 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.366 -1.138 7.431 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.406 -4.305 6.544 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.390 -4.981 7.847 1.00 0.00 H new ATOM 871 N LEU A 56 4.698 -1.635 9.593 1.00 0.00 N ATOM 872 CA LEU A 56 3.725 -1.344 10.695 1.00 0.00 C ATOM 873 C LEU A 56 2.654 -2.438 10.749 1.00 0.00 C ATOM 874 O LEU A 56 1.710 -2.352 11.509 1.00 0.00 O ATOM 875 CB LEU A 56 3.065 0.023 10.451 1.00 0.00 C ATOM 876 CG LEU A 56 4.026 1.154 10.854 1.00 0.00 C ATOM 877 CD1 LEU A 56 5.290 1.110 9.979 1.00 0.00 C ATOM 878 CD2 LEU A 56 3.316 2.505 10.685 1.00 0.00 C ATOM 0 H LEU A 56 4.594 -1.059 8.758 1.00 0.00 H new ATOM 0 HA LEU A 56 4.256 -1.323 11.647 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.795 0.122 9.400 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.142 0.098 11.026 1.00 0.00 H new ATOM 0 HG LEU A 56 4.320 1.026 11.896 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.964 1.915 10.272 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.791 0.151 10.111 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.012 1.233 8.932 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.993 3.310 10.970 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.018 2.632 9.644 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.431 2.533 11.321 1.00 0.00 H new ATOM 890 N PHE A 57 2.790 -3.456 9.936 1.00 0.00 N ATOM 891 CA PHE A 57 1.782 -4.563 9.909 1.00 0.00 C ATOM 892 C PHE A 57 2.507 -5.911 10.007 1.00 0.00 C ATOM 893 O PHE A 57 2.535 -6.671 9.059 1.00 0.00 O ATOM 894 CB PHE A 57 1.015 -4.515 8.583 1.00 0.00 C ATOM 895 CG PHE A 57 0.290 -3.182 8.426 1.00 0.00 C ATOM 896 CD1 PHE A 57 1.015 -1.984 8.277 1.00 0.00 C ATOM 897 CD2 PHE A 57 -1.113 -3.144 8.420 1.00 0.00 C ATOM 898 CE1 PHE A 57 0.337 -0.766 8.130 1.00 0.00 C ATOM 899 CE2 PHE A 57 -1.783 -1.923 8.272 1.00 0.00 C ATOM 900 CZ PHE A 57 -1.059 -0.737 8.130 1.00 0.00 C ATOM 0 H PHE A 57 3.565 -3.569 9.282 1.00 0.00 H new ATOM 0 HA PHE A 57 1.093 -4.447 10.745 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.706 -4.659 7.752 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.295 -5.333 8.544 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.095 -2.004 8.276 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.677 -4.058 8.530 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.895 0.152 8.017 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.863 -1.898 8.268 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.579 0.203 8.020 1.00 0.00 H new ATOM 910 N PRO A 58 3.090 -6.214 11.141 1.00 0.00 N ATOM 911 CA PRO A 58 3.822 -7.498 11.346 1.00 0.00 C ATOM 912 C PRO A 58 3.078 -8.697 10.742 1.00 0.00 C ATOM 913 O PRO A 58 3.670 -9.706 10.414 1.00 0.00 O ATOM 914 CB PRO A 58 3.902 -7.609 12.873 1.00 0.00 C ATOM 915 CG PRO A 58 3.966 -6.191 13.347 1.00 0.00 C ATOM 916 CD PRO A 58 3.122 -5.374 12.355 1.00 0.00 C ATOM 0 HA PRO A 58 4.795 -7.505 10.856 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.032 -8.125 13.280 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.782 -8.172 13.185 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.574 -6.100 14.360 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.995 -5.833 13.370 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.119 -5.190 12.740 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.570 -4.401 12.156 1.00 0.00 H new ATOM 924 N GLY A 59 1.786 -8.592 10.594 1.00 0.00 N ATOM 925 CA GLY A 59 1.007 -9.722 10.013 1.00 0.00 C ATOM 926 C GLY A 59 -0.476 -9.348 9.963 1.00 0.00 C ATOM 927 O GLY A 59 -1.316 -10.030 10.515 1.00 0.00 O ATOM 0 H GLY A 59 1.236 -7.772 10.850 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.369 -9.950 9.011 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.146 -10.621 10.614 1.00 0.00 H new ATOM 931 N MET A 60 -0.803 -8.268 9.305 1.00 0.00 N ATOM 932 CA MET A 60 -2.232 -7.844 9.216 1.00 0.00 C ATOM 933 C MET A 60 -2.838 -7.769 10.620 1.00 0.00 C ATOM 934 O MET A 60 -3.573 -8.642 11.037 1.00 0.00 O ATOM 935 CB MET A 60 -3.015 -8.856 8.372 1.00 0.00 C ATOM 936 CG MET A 60 -2.301 -9.069 7.035 1.00 0.00 C ATOM 937 SD MET A 60 -3.326 -10.106 5.960 1.00 0.00 S ATOM 938 CE MET A 60 -2.749 -11.715 6.556 1.00 0.00 C ATOM 0 H MET A 60 -0.141 -7.659 8.824 1.00 0.00 H new ATOM 0 HA MET A 60 -2.287 -6.861 8.748 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.099 -9.803 8.906 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.029 -8.495 8.201 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.109 -8.109 6.556 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.333 -9.542 7.199 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.264 -12.509 6.015 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.675 -11.800 6.391 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.961 -11.806 7.621 1.00 0.00 H new ATOM 948 N THR A 61 -2.536 -6.732 11.352 1.00 0.00 N ATOM 949 CA THR A 61 -3.095 -6.601 12.727 1.00 0.00 C ATOM 950 C THR A 61 -4.606 -6.377 12.645 1.00 0.00 C ATOM 951 O THR A 61 -5.067 -5.294 12.345 1.00 0.00 O ATOM 952 CB THR A 61 -2.440 -5.411 13.433 1.00 0.00 C ATOM 953 OG1 THR A 61 -2.858 -4.205 12.808 1.00 0.00 O ATOM 954 CG2 THR A 61 -0.919 -5.535 13.343 1.00 0.00 C ATOM 0 H THR A 61 -1.926 -5.969 11.057 1.00 0.00 H new ATOM 0 HA THR A 61 -2.893 -7.513 13.289 1.00 0.00 H new ATOM 0 HB THR A 61 -2.738 -5.400 14.481 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.805 -4.273 12.566 1.00 0.00 H new ATOM 0 HG21 THR A 61 -0.454 -4.687 13.846 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.600 -6.461 13.823 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.616 -5.546 12.296 1.00 0.00 H new ATOM 962 N GLY A 62 -5.381 -7.394 12.908 1.00 0.00 N ATOM 963 CA GLY A 62 -6.862 -7.238 12.844 1.00 0.00 C ATOM 964 C GLY A 62 -7.315 -6.225 13.897 1.00 0.00 C ATOM 965 O GLY A 62 -7.773 -6.654 14.944 1.00 0.00 O ATOM 966 OXT GLY A 62 -7.197 -5.039 13.639 1.00 0.00 O ATOM 0 H GLY A 62 -5.053 -8.325 13.164 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.160 -6.904 11.850 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.347 -8.199 13.016 1.00 0.00 H new TER 970 GLY A 62