USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 674 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 TYR OH : rot 180:sc= -1.11 USER MOD Set 1.2: A 96 SER OG : rot 85:sc= 0.00349 USER MOD Set 2.1: A 55 ASN : amide:sc= -0.0418 X(o=-7.7,f=-8) USER MOD Set 2.2: A 56 ASN : amide:sc= -7.66! C(o=-7.7!,f=-8!) USER MOD Set 3.1: A 48 ASN : amide:sc= -1.9 K(o=-5,f=-2.7) USER MOD Set 3.2: A 73 ASN : amide:sc= -3.15! C(o=-5!,f=-8.8!) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0853 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 135:sc= 0.382 (180deg=-0.0557!) USER MOD Single : A 6 HIS : no HE2:sc= -6.76! C(o=-6.8!,f=-14!) USER MOD Single : A 11 THR OG1 : rot 66:sc= 0.459 USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= -0.0307 (180deg=-0.202) USER MOD Single : A 17 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.4) USER MOD Single : A 27 THR OG1 : rot 95:sc= 0.763 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -170:sc= -0.545 (180deg=-1.02) USER MOD Single : A 42 ASN : amide:sc= -0.792 K(o=-0.79,f=-0.012) USER MOD Single : A 43 THR OG1 : rot 29:sc= -2.52! USER MOD Single : A 47 ASN : amide:sc= -8.33! C(o=-8.3!,f=-17!) USER MOD Single : A 49 ASN : amide:sc= 0.279 X(o=0.28,f=-0.12) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -58:sc= 1.14 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc=-0.00912 X(o=-0.0091,f=-0.44) USER MOD Single : A 67 ASN : amide:sc= -1.04 K(o=-1,f=-0.14) USER MOD Single : A 70 SER OG : rot -120:sc= -0.0237 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0063 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 76 LYS NZ :NH3+ -109:sc= 0.422 (180deg=-1.01) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 176:sc= -0.0145 (180deg=-0.0446) USER MOD Single : A 85 THR OG1 : rot -3:sc= -0.165 USER MOD Single : A 87 ASN : amide:sc= -6.07! C(o=-6.1!,f=-3.2!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -88:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.597 -3.850 -2.991 1.00 0.00 N ATOM 2 CA GLY A 1 18.347 -3.667 -2.219 1.00 0.00 C ATOM 3 C GLY A 1 18.414 -4.328 -0.862 1.00 0.00 C ATOM 4 O GLY A 1 19.474 -4.799 -0.447 1.00 0.00 O ATOM 0 H1 GLY A 1 19.991 -2.920 -3.239 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.286 -4.376 -2.416 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.393 -4.382 -3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.152 -2.602 -2.094 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.510 -4.080 -2.782 1.00 0.00 H new ATOM 10 N VAL A 2 17.287 -4.356 -0.170 1.00 0.00 N ATOM 11 CA VAL A 2 17.193 -5.031 1.108 1.00 0.00 C ATOM 12 C VAL A 2 15.741 -5.377 1.389 1.00 0.00 C ATOM 13 O VAL A 2 14.843 -4.907 0.682 1.00 0.00 O ATOM 14 CB VAL A 2 17.739 -4.170 2.269 1.00 0.00 C ATOM 15 CG1 VAL A 2 16.721 -3.112 2.688 1.00 0.00 C ATOM 16 CG2 VAL A 2 18.126 -5.055 3.445 1.00 0.00 C ATOM 0 H VAL A 2 16.420 -3.915 -0.477 1.00 0.00 H new ATOM 0 HA VAL A 2 17.802 -5.933 1.047 1.00 0.00 H new ATOM 0 HB VAL A 2 18.633 -3.650 1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 2 17.129 -2.519 3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 2 16.504 -2.461 1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 2 15.803 -3.600 3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 2 18.509 -4.436 4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 2 17.250 -5.604 3.791 1.00 0.00 H new ATOM 0 HG23 VAL A 2 18.896 -5.760 3.132 1.00 0.00 H new ATOM 26 N ASP A 3 15.524 -6.196 2.408 1.00 0.00 N ATOM 27 CA ASP A 3 14.199 -6.547 2.850 1.00 0.00 C ATOM 28 C ASP A 3 13.325 -5.301 2.992 1.00 0.00 C ATOM 29 O ASP A 3 13.741 -4.276 3.541 1.00 0.00 O ATOM 30 CB ASP A 3 14.290 -7.346 4.150 1.00 0.00 C ATOM 31 CG ASP A 3 14.692 -6.535 5.357 1.00 0.00 C ATOM 32 OD1 ASP A 3 15.721 -5.839 5.313 1.00 0.00 O ATOM 33 OD2 ASP A 3 13.969 -6.597 6.365 1.00 0.00 O ATOM 0 H ASP A 3 16.271 -6.633 2.948 1.00 0.00 H new ATOM 0 HA ASP A 3 13.719 -7.178 2.101 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.323 -7.809 4.345 1.00 0.00 H new ATOM 0 HB3 ASP A 3 15.009 -8.154 4.015 1.00 0.00 H new ATOM 38 N PRO A 4 12.114 -5.382 2.425 1.00 0.00 N ATOM 39 CA PRO A 4 11.176 -4.250 2.254 1.00 0.00 C ATOM 40 C PRO A 4 10.968 -3.299 3.457 1.00 0.00 C ATOM 41 O PRO A 4 10.429 -2.213 3.270 1.00 0.00 O ATOM 42 CB PRO A 4 9.853 -4.940 1.915 1.00 0.00 C ATOM 43 CG PRO A 4 10.096 -6.406 2.013 1.00 0.00 C ATOM 44 CD PRO A 4 11.553 -6.617 1.848 1.00 0.00 C ATOM 0 HA PRO A 4 11.585 -3.576 1.501 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.068 -4.631 2.605 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.521 -4.669 0.913 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.758 -6.789 2.976 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.540 -6.941 1.244 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.898 -7.506 2.376 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.831 -6.740 0.801 1.00 0.00 H new ATOM 52 N LYS A 5 11.399 -3.666 4.664 1.00 0.00 N ATOM 53 CA LYS A 5 11.113 -2.851 5.858 1.00 0.00 C ATOM 54 C LYS A 5 11.982 -1.602 5.959 1.00 0.00 C ATOM 55 O LYS A 5 12.033 -0.974 7.010 1.00 0.00 O ATOM 56 CB LYS A 5 11.246 -3.669 7.146 1.00 0.00 C ATOM 57 CG LYS A 5 12.625 -4.272 7.385 1.00 0.00 C ATOM 58 CD LYS A 5 13.527 -3.345 8.186 1.00 0.00 C ATOM 59 CE LYS A 5 14.867 -3.990 8.516 1.00 0.00 C ATOM 60 NZ LYS A 5 15.741 -4.126 7.323 1.00 0.00 N ATOM 0 H LYS A 5 11.941 -4.511 4.846 1.00 0.00 H new ATOM 0 HA LYS A 5 10.079 -2.525 5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.993 -3.030 7.992 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.512 -4.475 7.125 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.519 -5.219 7.914 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.094 -4.493 6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.696 -2.428 7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.025 -3.062 9.111 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.378 -3.393 9.271 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.695 -4.975 8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.706 -3.823 7.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.756 -5.119 7.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.373 -3.531 6.554 1.00 0.00 H new ATOM 74 N HIS A 6 12.661 -1.237 4.883 1.00 0.00 N ATOM 75 CA HIS A 6 13.542 -0.068 4.902 1.00 0.00 C ATOM 76 C HIS A 6 12.759 1.253 4.971 1.00 0.00 C ATOM 77 O HIS A 6 13.299 2.312 4.654 1.00 0.00 O ATOM 78 CB HIS A 6 14.514 -0.073 3.714 1.00 0.00 C ATOM 79 CG HIS A 6 13.928 -0.555 2.427 1.00 0.00 C ATOM 80 ND1 HIS A 6 13.675 -1.883 2.169 1.00 0.00 N ATOM 81 CD2 HIS A 6 13.540 0.115 1.329 1.00 0.00 C ATOM 82 CE1 HIS A 6 13.151 -2.003 0.969 1.00 0.00 C ATOM 83 NE2 HIS A 6 13.063 -0.808 0.428 1.00 0.00 N ATOM 0 H HIS A 6 12.623 -1.726 3.989 1.00 0.00 H new ATOM 0 HA HIS A 6 14.131 -0.139 5.816 1.00 0.00 H new ATOM 0 HB2 HIS A 6 14.893 0.939 3.568 1.00 0.00 H new ATOM 0 HB3 HIS A 6 15.369 -0.700 3.965 1.00 0.00 H new ATOM 0 HD1 HIS A 6 13.865 -2.654 2.809 1.00 0.00 H new ATOM 0 HD2 HIS A 6 13.593 1.183 1.181 1.00 0.00 H new ATOM 0 HE1 HIS A 6 12.844 -2.929 0.505 1.00 0.00 H new ATOM 92 N VAL A 7 11.488 1.156 5.394 1.00 0.00 N ATOM 93 CA VAL A 7 10.627 2.291 5.769 1.00 0.00 C ATOM 94 C VAL A 7 10.633 3.434 4.749 1.00 0.00 C ATOM 95 O VAL A 7 10.893 3.223 3.567 1.00 0.00 O ATOM 96 CB VAL A 7 10.962 2.805 7.195 1.00 0.00 C ATOM 97 CG1 VAL A 7 10.867 1.655 8.192 1.00 0.00 C ATOM 98 CG2 VAL A 7 12.332 3.466 7.269 1.00 0.00 C ATOM 0 H VAL A 7 11.016 0.257 5.488 1.00 0.00 H new ATOM 0 HA VAL A 7 9.609 1.903 5.771 1.00 0.00 H new ATOM 0 HB VAL A 7 10.230 3.572 7.450 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.103 2.020 9.192 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.856 1.248 8.183 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.575 0.874 7.915 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.517 3.808 8.288 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.099 2.746 6.983 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.362 4.318 6.590 1.00 0.00 H new ATOM 108 N CYS A 8 10.270 4.630 5.196 1.00 0.00 N ATOM 109 CA CYS A 8 10.110 5.758 4.299 1.00 0.00 C ATOM 110 C CYS A 8 10.181 7.092 5.006 1.00 0.00 C ATOM 111 O CYS A 8 9.844 7.222 6.183 1.00 0.00 O ATOM 112 CB CYS A 8 8.761 5.662 3.616 1.00 0.00 C ATOM 113 SG CYS A 8 8.259 7.166 2.714 1.00 0.00 S ATOM 0 H CYS A 8 10.082 4.840 6.176 1.00 0.00 H new ATOM 0 HA CYS A 8 10.933 5.712 3.586 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.780 4.825 2.918 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.004 5.434 4.366 1.00 0.00 H new ATOM 118 N VAL A 9 10.625 8.068 4.240 1.00 0.00 N ATOM 119 CA VAL A 9 10.486 9.466 4.560 1.00 0.00 C ATOM 120 C VAL A 9 10.219 10.175 3.242 1.00 0.00 C ATOM 121 O VAL A 9 11.127 10.404 2.446 1.00 0.00 O ATOM 122 CB VAL A 9 11.790 9.992 5.176 1.00 0.00 C ATOM 123 CG1 VAL A 9 11.875 9.639 6.649 1.00 0.00 C ATOM 124 CG2 VAL A 9 12.962 9.382 4.427 1.00 0.00 C ATOM 0 H VAL A 9 11.105 7.902 3.355 1.00 0.00 H new ATOM 0 HA VAL A 9 9.683 9.634 5.277 1.00 0.00 H new ATOM 0 HB VAL A 9 11.814 11.078 5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 9 12.808 10.023 7.062 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.033 10.084 7.179 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.845 8.556 6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.896 9.747 4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.923 8.296 4.513 1.00 0.00 H new ATOM 0 HG23 VAL A 9 12.909 9.665 3.376 1.00 0.00 H new ATOM 134 N ASP A 10 8.971 10.498 3.007 1.00 0.00 N ATOM 135 CA ASP A 10 8.560 11.011 1.716 1.00 0.00 C ATOM 136 C ASP A 10 7.752 12.291 1.862 1.00 0.00 C ATOM 137 O ASP A 10 7.414 12.669 2.980 1.00 0.00 O ATOM 138 CB ASP A 10 7.784 9.903 0.985 1.00 0.00 C ATOM 139 CG ASP A 10 7.063 10.342 -0.282 1.00 0.00 C ATOM 140 OD1 ASP A 10 7.706 10.929 -1.176 1.00 0.00 O ATOM 141 OD2 ASP A 10 5.844 10.101 -0.386 1.00 0.00 O ATOM 0 H ASP A 10 8.219 10.416 3.691 1.00 0.00 H new ATOM 0 HA ASP A 10 9.433 11.281 1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.479 9.103 0.729 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.051 9.481 1.673 1.00 0.00 H new ATOM 146 N THR A 11 7.555 12.963 0.729 1.00 0.00 N ATOM 147 CA THR A 11 6.491 13.940 0.480 1.00 0.00 C ATOM 148 C THR A 11 5.987 14.755 1.676 1.00 0.00 C ATOM 149 O THR A 11 5.588 14.257 2.729 1.00 0.00 O ATOM 150 CB THR A 11 5.337 13.196 -0.207 1.00 0.00 C ATOM 151 OG1 THR A 11 5.651 12.985 -1.587 1.00 0.00 O ATOM 152 CG2 THR A 11 4.013 13.914 -0.073 1.00 0.00 C ATOM 0 H THR A 11 8.162 12.836 -0.081 1.00 0.00 H new ATOM 0 HA THR A 11 6.934 14.713 -0.148 1.00 0.00 H new ATOM 0 HB THR A 11 5.224 12.237 0.299 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.415 12.375 -1.659 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.236 13.341 -0.578 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.760 14.017 0.982 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.088 14.902 -0.526 1.00 0.00 H new ATOM 160 N ARG A 12 5.906 16.042 1.395 1.00 0.00 N ATOM 161 CA ARG A 12 5.647 17.073 2.372 1.00 0.00 C ATOM 162 C ARG A 12 4.319 16.853 3.070 1.00 0.00 C ATOM 163 O ARG A 12 4.222 16.937 4.296 1.00 0.00 O ATOM 164 CB ARG A 12 5.643 18.422 1.679 1.00 0.00 C ATOM 165 CG ARG A 12 6.965 18.798 1.025 1.00 0.00 C ATOM 166 CD ARG A 12 7.242 18.054 -0.274 1.00 0.00 C ATOM 167 NE ARG A 12 6.104 18.060 -1.194 1.00 0.00 N ATOM 168 CZ ARG A 12 6.052 17.333 -2.314 1.00 0.00 C ATOM 169 NH1 ARG A 12 7.033 16.485 -2.603 1.00 0.00 N ATOM 170 NH2 ARG A 12 5.009 17.435 -3.129 1.00 0.00 N ATOM 0 H ARG A 12 6.023 16.406 0.449 1.00 0.00 H new ATOM 0 HA ARG A 12 6.432 17.039 3.128 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.862 18.424 0.918 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.381 19.190 2.407 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.970 19.870 0.827 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.776 18.600 1.726 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.103 18.505 -0.768 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.511 17.023 -0.045 1.00 0.00 H new ATOM 0 HE ARG A 12 5.305 18.653 -0.968 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.827 16.388 -1.970 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.992 15.930 -3.458 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.244 18.070 -2.901 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.973 16.879 -3.983 1.00 0.00 H new ATOM 184 N ASP A 13 3.298 16.593 2.275 1.00 0.00 N ATOM 185 CA ASP A 13 1.977 16.279 2.794 1.00 0.00 C ATOM 186 C ASP A 13 1.424 15.036 2.117 1.00 0.00 C ATOM 187 O ASP A 13 0.660 15.122 1.152 1.00 0.00 O ATOM 188 CB ASP A 13 1.019 17.460 2.598 1.00 0.00 C ATOM 189 CG ASP A 13 -0.393 17.166 3.085 1.00 0.00 C ATOM 190 OD1 ASP A 13 -0.576 16.933 4.300 1.00 0.00 O ATOM 191 OD2 ASP A 13 -1.330 17.178 2.257 1.00 0.00 O ATOM 0 H ASP A 13 3.358 16.593 1.257 1.00 0.00 H new ATOM 0 HA ASP A 13 2.069 16.086 3.863 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.408 18.328 3.130 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.986 17.722 1.541 1.00 0.00 H new ATOM 196 N ILE A 14 1.855 13.878 2.596 1.00 0.00 N ATOM 197 CA ILE A 14 1.275 12.617 2.164 1.00 0.00 C ATOM 198 C ILE A 14 -0.153 12.546 2.664 1.00 0.00 C ATOM 199 O ILE A 14 -0.429 12.881 3.820 1.00 0.00 O ATOM 200 CB ILE A 14 2.086 11.405 2.677 1.00 0.00 C ATOM 201 CG1 ILE A 14 3.459 11.391 2.029 1.00 0.00 C ATOM 202 CG2 ILE A 14 1.369 10.093 2.380 1.00 0.00 C ATOM 203 CD1 ILE A 14 4.562 11.003 2.967 1.00 0.00 C ATOM 0 H ILE A 14 2.603 13.787 3.283 1.00 0.00 H new ATOM 0 HA ILE A 14 1.297 12.575 1.075 1.00 0.00 H new ATOM 0 HB ILE A 14 2.189 11.502 3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.448 10.697 1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.670 12.380 1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.965 9.260 2.753 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.396 10.091 2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.233 9.988 1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.513 11.015 2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.601 11.710 3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.375 10.001 3.354 1.00 0.00 H new ATOM 215 N PRO A 15 -1.073 12.131 1.791 1.00 0.00 N ATOM 216 CA PRO A 15 -2.507 12.126 2.076 1.00 0.00 C ATOM 217 C PRO A 15 -2.852 11.358 3.336 1.00 0.00 C ATOM 218 O PRO A 15 -2.119 10.461 3.751 1.00 0.00 O ATOM 219 CB PRO A 15 -3.076 11.400 0.864 1.00 0.00 C ATOM 220 CG PRO A 15 -2.124 11.720 -0.214 1.00 0.00 C ATOM 221 CD PRO A 15 -0.795 11.595 0.446 1.00 0.00 C ATOM 0 HA PRO A 15 -2.896 13.131 2.239 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.141 10.325 1.035 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.082 11.746 0.626 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.222 11.031 -1.053 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.284 12.724 -0.606 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.452 10.561 0.481 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.026 12.169 -0.072 1.00 0.00 H new ATOM 229 N LYS A 16 -3.960 11.720 3.957 1.00 0.00 N ATOM 230 CA LYS A 16 -4.524 10.897 4.988 1.00 0.00 C ATOM 231 C LYS A 16 -4.971 9.602 4.349 1.00 0.00 C ATOM 232 O LYS A 16 -5.289 9.591 3.160 1.00 0.00 O ATOM 233 CB LYS A 16 -5.703 11.604 5.623 1.00 0.00 C ATOM 234 CG LYS A 16 -6.230 10.910 6.856 1.00 0.00 C ATOM 235 CD LYS A 16 -7.588 11.447 7.237 1.00 0.00 C ATOM 236 CE LYS A 16 -8.096 10.824 8.532 1.00 0.00 C ATOM 237 NZ LYS A 16 -8.116 9.336 8.474 1.00 0.00 N ATOM 0 H LYS A 16 -4.478 12.576 3.760 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.789 10.698 5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.408 12.620 5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.506 11.684 4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.297 9.837 6.674 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.534 11.050 7.683 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.533 12.530 7.351 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.297 11.247 6.434 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.463 11.145 9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.101 11.191 8.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.622 8.963 9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.599 9.029 7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.140 8.975 8.473 1.00 0.00 H new ATOM 251 N ASN A 17 -4.982 8.519 5.116 1.00 0.00 N ATOM 252 CA ASN A 17 -5.351 7.200 4.589 1.00 0.00 C ATOM 253 C ASN A 17 -4.301 6.742 3.579 1.00 0.00 C ATOM 254 O ASN A 17 -4.479 5.760 2.859 1.00 0.00 O ATOM 255 CB ASN A 17 -6.730 7.232 3.910 1.00 0.00 C ATOM 256 CG ASN A 17 -7.788 7.944 4.722 1.00 0.00 C ATOM 257 OD1 ASN A 17 -8.479 7.352 5.547 1.00 0.00 O ATOM 258 ND2 ASN A 17 -7.905 9.235 4.488 1.00 0.00 N ATOM 0 H ASN A 17 -4.740 8.522 6.107 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.398 6.503 5.426 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.637 7.722 2.941 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.056 6.209 3.721 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.592 9.786 5.002 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.308 9.683 3.793 1.00 0.00 H new ATOM 265 N ALA A 18 -3.220 7.495 3.517 1.00 0.00 N ATOM 266 CA ALA A 18 -2.108 7.176 2.640 1.00 0.00 C ATOM 267 C ALA A 18 -0.837 6.962 3.433 1.00 0.00 C ATOM 268 O ALA A 18 -0.627 7.572 4.481 1.00 0.00 O ATOM 269 CB ALA A 18 -1.887 8.269 1.604 1.00 0.00 C ATOM 0 H ALA A 18 -3.087 8.342 4.070 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.362 6.252 2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.047 7.999 0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.785 8.382 0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.670 9.210 2.109 1.00 0.00 H new ATOM 275 N GLY A 19 -0.006 6.083 2.925 1.00 0.00 N ATOM 276 CA GLY A 19 1.279 5.835 3.526 1.00 0.00 C ATOM 277 C GLY A 19 2.381 5.931 2.507 1.00 0.00 C ATOM 278 O GLY A 19 2.154 5.678 1.325 1.00 0.00 O ATOM 0 H GLY A 19 -0.200 5.526 2.093 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.455 6.555 4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.286 4.845 3.981 1.00 0.00 H new ATOM 282 N CYS A 20 3.568 6.279 2.955 1.00 0.00 N ATOM 283 CA CYS A 20 4.664 6.545 2.051 1.00 0.00 C ATOM 284 C CYS A 20 5.698 5.442 2.123 1.00 0.00 C ATOM 285 O CYS A 20 5.838 4.764 3.146 1.00 0.00 O ATOM 286 CB CYS A 20 5.317 7.882 2.379 1.00 0.00 C ATOM 287 SG CYS A 20 6.588 7.799 3.690 1.00 0.00 S ATOM 0 H CYS A 20 3.798 6.384 3.943 1.00 0.00 H new ATOM 0 HA CYS A 20 4.261 6.585 1.039 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.772 8.282 1.473 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.543 8.586 2.684 1.00 0.00 H new ATOM 292 N PHE A 21 6.384 5.233 1.020 1.00 0.00 N ATOM 293 CA PHE A 21 7.489 4.300 0.978 1.00 0.00 C ATOM 294 C PHE A 21 8.731 4.913 0.363 1.00 0.00 C ATOM 295 O PHE A 21 8.660 5.664 -0.599 1.00 0.00 O ATOM 296 CB PHE A 21 7.133 3.043 0.221 1.00 0.00 C ATOM 297 CG PHE A 21 8.323 2.189 -0.031 1.00 0.00 C ATOM 298 CD1 PHE A 21 8.923 1.608 1.030 1.00 0.00 C ATOM 299 CD2 PHE A 21 8.839 1.979 -1.295 1.00 0.00 C ATOM 300 CE1 PHE A 21 10.026 0.815 0.881 1.00 0.00 C ATOM 301 CE2 PHE A 21 9.951 1.184 -1.464 1.00 0.00 C ATOM 302 CZ PHE A 21 10.544 0.600 -0.363 1.00 0.00 C ATOM 0 H PHE A 21 6.194 5.701 0.134 1.00 0.00 H new ATOM 0 HA PHE A 21 7.702 4.044 2.016 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.393 2.476 0.787 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.671 3.311 -0.729 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.522 1.774 2.019 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.370 2.439 -2.152 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.486 0.360 1.745 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.356 1.019 -2.451 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.416 -0.026 -0.486 1.00 0.00 H new ATOM 312 N ARG A 22 9.868 4.590 0.948 1.00 0.00 N ATOM 313 CA ARG A 22 11.144 5.002 0.411 1.00 0.00 C ATOM 314 C ARG A 22 12.047 3.787 0.292 1.00 0.00 C ATOM 315 O ARG A 22 12.366 3.141 1.287 1.00 0.00 O ATOM 316 CB ARG A 22 11.792 6.059 1.289 1.00 0.00 C ATOM 317 CG ARG A 22 13.167 6.428 0.813 1.00 0.00 C ATOM 318 CD ARG A 22 13.693 7.647 1.508 1.00 0.00 C ATOM 319 NE ARG A 22 14.206 8.574 0.529 1.00 0.00 N ATOM 320 CZ ARG A 22 15.248 9.380 0.724 1.00 0.00 C ATOM 321 NH1 ARG A 22 15.902 9.354 1.878 1.00 0.00 N ATOM 322 NH2 ARG A 22 15.634 10.210 -0.235 1.00 0.00 N ATOM 0 H ARG A 22 9.930 4.038 1.803 1.00 0.00 H new ATOM 0 HA ARG A 22 10.988 5.442 -0.574 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.164 6.950 1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.851 5.691 2.313 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.846 5.592 0.983 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.143 6.606 -0.262 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.900 8.117 2.090 1.00 0.00 H new ATOM 0 HD3 ARG A 22 14.480 7.368 2.208 1.00 0.00 H new ATOM 0 HE ARG A 22 13.738 8.615 -0.376 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.607 8.716 2.617 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.700 9.972 2.026 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.133 10.232 -1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.432 10.827 -0.085 1.00 0.00 H new ATOM 336 N ASP A 23 12.453 3.460 -0.919 1.00 0.00 N ATOM 337 CA ASP A 23 13.161 2.214 -1.132 1.00 0.00 C ATOM 338 C ASP A 23 14.647 2.350 -0.798 1.00 0.00 C ATOM 339 O ASP A 23 15.101 3.414 -0.372 1.00 0.00 O ATOM 340 CB ASP A 23 12.978 1.693 -2.561 1.00 0.00 C ATOM 341 CG ASP A 23 14.120 2.062 -3.484 1.00 0.00 C ATOM 342 OD1 ASP A 23 14.305 3.259 -3.769 1.00 0.00 O ATOM 343 OD2 ASP A 23 14.862 1.146 -3.893 1.00 0.00 O ATOM 0 H ASP A 23 12.309 4.027 -1.755 1.00 0.00 H new ATOM 0 HA ASP A 23 12.725 1.483 -0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.877 0.608 -2.535 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.048 2.089 -2.969 1.00 0.00 H new ATOM 348 N ASP A 24 15.392 1.272 -0.999 1.00 0.00 N ATOM 349 CA ASP A 24 16.820 1.252 -0.710 1.00 0.00 C ATOM 350 C ASP A 24 17.582 2.256 -1.579 1.00 0.00 C ATOM 351 O ASP A 24 18.574 2.844 -1.144 1.00 0.00 O ATOM 352 CB ASP A 24 17.357 -0.162 -0.919 1.00 0.00 C ATOM 353 CG ASP A 24 18.870 -0.238 -0.871 1.00 0.00 C ATOM 354 OD1 ASP A 24 19.450 -0.045 0.215 1.00 0.00 O ATOM 355 OD2 ASP A 24 19.481 -0.501 -1.927 1.00 0.00 O ATOM 0 H ASP A 24 15.027 0.392 -1.364 1.00 0.00 H new ATOM 0 HA ASP A 24 16.970 1.547 0.328 1.00 0.00 H new ATOM 0 HB2 ASP A 24 16.942 -0.818 -0.154 1.00 0.00 H new ATOM 0 HB3 ASP A 24 17.011 -0.537 -1.882 1.00 0.00 H new ATOM 360 N ASP A 25 17.096 2.474 -2.795 1.00 0.00 N ATOM 361 CA ASP A 25 17.743 3.406 -3.718 1.00 0.00 C ATOM 362 C ASP A 25 17.500 4.847 -3.277 1.00 0.00 C ATOM 363 O ASP A 25 18.326 5.732 -3.506 1.00 0.00 O ATOM 364 CB ASP A 25 17.213 3.200 -5.143 1.00 0.00 C ATOM 365 CG ASP A 25 17.953 4.035 -6.171 1.00 0.00 C ATOM 366 OD1 ASP A 25 17.548 5.191 -6.411 1.00 0.00 O ATOM 367 OD2 ASP A 25 18.931 3.524 -6.763 1.00 0.00 O ATOM 0 H ASP A 25 16.260 2.022 -3.166 1.00 0.00 H new ATOM 0 HA ASP A 25 18.815 3.211 -3.708 1.00 0.00 H new ATOM 0 HB2 ASP A 25 17.297 2.146 -5.409 1.00 0.00 H new ATOM 0 HB3 ASP A 25 16.153 3.452 -5.172 1.00 0.00 H new ATOM 372 N GLY A 26 16.377 5.066 -2.606 1.00 0.00 N ATOM 373 CA GLY A 26 16.018 6.399 -2.160 1.00 0.00 C ATOM 374 C GLY A 26 14.709 6.852 -2.761 1.00 0.00 C ATOM 375 O GLY A 26 14.225 7.946 -2.478 1.00 0.00 O ATOM 0 H GLY A 26 15.704 4.340 -2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.944 6.412 -1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 26 16.807 7.100 -2.434 1.00 0.00 H new ATOM 379 N THR A 27 14.140 5.988 -3.585 1.00 0.00 N ATOM 380 CA THR A 27 12.884 6.251 -4.267 1.00 0.00 C ATOM 381 C THR A 27 11.755 6.430 -3.266 1.00 0.00 C ATOM 382 O THR A 27 11.563 5.589 -2.393 1.00 0.00 O ATOM 383 CB THR A 27 12.534 5.066 -5.168 1.00 0.00 C ATOM 384 OG1 THR A 27 13.675 4.707 -5.959 1.00 0.00 O ATOM 385 CG2 THR A 27 11.356 5.373 -6.074 1.00 0.00 C ATOM 0 H THR A 27 14.541 5.075 -3.801 1.00 0.00 H new ATOM 0 HA THR A 27 13.001 7.163 -4.853 1.00 0.00 H new ATOM 0 HB THR A 27 12.249 4.232 -4.526 1.00 0.00 H new ATOM 0 HG1 THR A 27 14.172 3.991 -5.511 1.00 0.00 H new ATOM 0 HG21 THR A 27 11.140 4.505 -6.697 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.482 5.610 -5.467 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.598 6.225 -6.709 1.00 0.00 H new ATOM 393 N GLU A 28 11.012 7.510 -3.394 1.00 0.00 N ATOM 394 CA GLU A 28 9.924 7.790 -2.477 1.00 0.00 C ATOM 395 C GLU A 28 8.591 7.812 -3.199 1.00 0.00 C ATOM 396 O GLU A 28 8.427 8.502 -4.209 1.00 0.00 O ATOM 397 CB GLU A 28 10.173 9.122 -1.783 1.00 0.00 C ATOM 398 CG GLU A 28 11.448 9.152 -0.959 1.00 0.00 C ATOM 399 CD GLU A 28 12.012 10.550 -0.848 1.00 0.00 C ATOM 400 OE1 GLU A 28 11.382 11.402 -0.198 1.00 0.00 O ATOM 401 OE2 GLU A 28 13.081 10.809 -1.443 1.00 0.00 O ATOM 0 H GLU A 28 11.141 8.210 -4.125 1.00 0.00 H new ATOM 0 HA GLU A 28 9.885 6.995 -1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.218 9.910 -2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.326 9.348 -1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.245 8.762 0.038 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.190 8.496 -1.414 1.00 0.00 H new ATOM 408 N GLU A 29 7.649 7.040 -2.684 1.00 0.00 N ATOM 409 CA GLU A 29 6.312 6.982 -3.242 1.00 0.00 C ATOM 410 C GLU A 29 5.308 6.740 -2.147 1.00 0.00 C ATOM 411 O GLU A 29 5.480 5.841 -1.334 1.00 0.00 O ATOM 412 CB GLU A 29 6.190 5.856 -4.269 1.00 0.00 C ATOM 413 CG GLU A 29 4.747 5.562 -4.668 1.00 0.00 C ATOM 414 CD GLU A 29 4.612 4.386 -5.606 1.00 0.00 C ATOM 415 OE1 GLU A 29 4.786 3.237 -5.158 1.00 0.00 O ATOM 416 OE2 GLU A 29 4.301 4.599 -6.795 1.00 0.00 O ATOM 0 H GLU A 29 7.790 6.439 -1.872 1.00 0.00 H new ATOM 0 HA GLU A 29 6.117 7.936 -3.732 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.760 6.122 -5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.639 4.951 -3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.161 5.369 -3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.322 6.446 -5.142 1.00 0.00 H new ATOM 423 N TRP A 30 4.267 7.531 -2.120 1.00 0.00 N ATOM 424 CA TRP A 30 3.170 7.247 -1.239 1.00 0.00 C ATOM 425 C TRP A 30 2.056 6.575 -2.021 1.00 0.00 C ATOM 426 O TRP A 30 1.935 6.743 -3.235 1.00 0.00 O ATOM 427 CB TRP A 30 2.672 8.511 -0.539 1.00 0.00 C ATOM 428 CG TRP A 30 2.129 9.560 -1.456 1.00 0.00 C ATOM 429 CD1 TRP A 30 2.759 10.697 -1.860 1.00 0.00 C ATOM 430 CD2 TRP A 30 0.839 9.574 -2.064 1.00 0.00 C ATOM 431 NE1 TRP A 30 1.930 11.423 -2.682 1.00 0.00 N ATOM 432 CE2 TRP A 30 0.742 10.754 -2.818 1.00 0.00 C ATOM 433 CE3 TRP A 30 -0.246 8.698 -2.034 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -0.404 11.079 -3.541 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -1.379 9.022 -2.754 1.00 0.00 C ATOM 436 CH2 TRP A 30 -1.451 10.208 -3.492 1.00 0.00 C ATOM 0 H TRP A 30 4.158 8.368 -2.692 1.00 0.00 H new ATOM 0 HA TRP A 30 3.514 6.569 -0.458 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.895 8.233 0.174 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.493 8.940 0.035 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.761 10.986 -1.577 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.162 12.315 -3.120 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.201 7.785 -1.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.461 11.989 -4.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.223 8.349 -2.747 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.356 10.438 -4.035 1.00 0.00 H new ATOM 447 N ARG A 31 1.262 5.808 -1.316 1.00 0.00 N ATOM 448 CA ARG A 31 0.149 5.077 -1.898 1.00 0.00 C ATOM 449 C ARG A 31 -1.026 5.142 -0.947 1.00 0.00 C ATOM 450 O ARG A 31 -0.925 5.725 0.129 1.00 0.00 O ATOM 451 CB ARG A 31 0.497 3.614 -2.182 1.00 0.00 C ATOM 452 CG ARG A 31 1.578 3.399 -3.229 1.00 0.00 C ATOM 453 CD ARG A 31 1.592 1.952 -3.713 1.00 0.00 C ATOM 454 NE ARG A 31 2.765 1.660 -4.537 1.00 0.00 N ATOM 455 CZ ARG A 31 2.926 0.555 -5.265 1.00 0.00 C ATOM 456 NH1 ARG A 31 2.059 -0.450 -5.174 1.00 0.00 N ATOM 457 NH2 ARG A 31 3.985 0.439 -6.056 1.00 0.00 N ATOM 0 H ARG A 31 1.366 5.668 -0.311 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.096 5.541 -2.853 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.816 3.146 -1.251 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.407 3.098 -2.505 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.409 4.067 -4.074 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.551 3.655 -2.810 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.577 1.282 -2.853 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.687 1.753 -4.287 1.00 0.00 H new ATOM 0 HE ARG A 31 3.514 2.352 -4.556 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.261 -0.380 -4.542 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.192 -1.291 -5.736 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.670 1.193 -6.105 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.114 -0.404 -6.615 1.00 0.00 H new ATOM 471 N CYS A 32 -2.112 4.505 -1.318 1.00 0.00 N ATOM 472 CA CYS A 32 -3.334 4.573 -0.539 1.00 0.00 C ATOM 473 C CYS A 32 -3.545 3.226 0.094 1.00 0.00 C ATOM 474 O CYS A 32 -3.502 2.200 -0.582 1.00 0.00 O ATOM 475 CB CYS A 32 -4.532 4.896 -1.438 1.00 0.00 C ATOM 476 SG CYS A 32 -4.336 6.431 -2.391 1.00 0.00 S ATOM 0 H CYS A 32 -2.178 3.930 -2.158 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.248 5.357 0.213 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.691 4.068 -2.128 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.428 4.973 -0.821 1.00 0.00 H new ATOM 481 N LEU A 33 -3.719 3.252 1.409 1.00 0.00 N ATOM 482 CA LEU A 33 -3.711 2.049 2.217 1.00 0.00 C ATOM 483 C LEU A 33 -4.776 1.078 1.733 1.00 0.00 C ATOM 484 O LEU A 33 -5.707 1.454 1.024 1.00 0.00 O ATOM 485 CB LEU A 33 -3.946 2.390 3.687 1.00 0.00 C ATOM 486 CG LEU A 33 -3.049 3.464 4.319 1.00 0.00 C ATOM 487 CD1 LEU A 33 -2.873 3.185 5.798 1.00 0.00 C ATOM 488 CD2 LEU A 33 -1.695 3.579 3.639 1.00 0.00 C ATOM 0 H LEU A 33 -3.869 4.109 1.941 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.733 1.577 2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.982 2.711 3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.833 1.474 4.267 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.550 4.422 4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.235 3.951 6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.846 3.196 6.289 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.410 2.207 5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.106 4.354 4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.171 2.626 3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.836 3.840 2.590 1.00 0.00 H new ATOM 500 N LEU A 34 -4.639 -0.164 2.133 1.00 0.00 N ATOM 501 CA LEU A 34 -5.457 -1.225 1.615 1.00 0.00 C ATOM 502 C LEU A 34 -6.897 -1.061 2.037 1.00 0.00 C ATOM 503 O LEU A 34 -7.196 -0.841 3.209 1.00 0.00 O ATOM 504 CB LEU A 34 -4.882 -2.551 2.076 1.00 0.00 C ATOM 505 CG LEU A 34 -3.416 -2.723 1.702 1.00 0.00 C ATOM 506 CD1 LEU A 34 -2.894 -4.068 2.162 1.00 0.00 C ATOM 507 CD2 LEU A 34 -3.233 -2.545 0.204 1.00 0.00 C ATOM 0 H LEU A 34 -3.955 -0.464 2.828 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.451 -1.194 0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.987 -2.631 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.461 -3.364 1.639 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.835 -1.954 2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.845 -4.166 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.990 -4.144 3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.471 -4.863 1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.181 -2.670 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.826 -3.290 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.561 -1.547 -0.086 1.00 0.00 H new ATOM 519 N GLY A 35 -7.788 -1.150 1.064 1.00 0.00 N ATOM 520 CA GLY A 35 -9.172 -0.893 1.319 1.00 0.00 C ATOM 521 C GLY A 35 -9.462 0.581 1.255 1.00 0.00 C ATOM 522 O GLY A 35 -10.442 1.052 1.830 1.00 0.00 O ATOM 0 H GLY A 35 -7.567 -1.398 0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.785 -1.421 0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.443 -1.279 2.302 1.00 0.00 H new ATOM 526 N TYR A 36 -8.572 1.317 0.589 1.00 0.00 N ATOM 527 CA TYR A 36 -8.753 2.725 0.317 1.00 0.00 C ATOM 528 C TYR A 36 -8.527 2.970 -1.168 1.00 0.00 C ATOM 529 O TYR A 36 -7.988 2.115 -1.869 1.00 0.00 O ATOM 530 CB TYR A 36 -7.754 3.572 1.100 1.00 0.00 C ATOM 531 CG TYR A 36 -7.824 3.457 2.614 1.00 0.00 C ATOM 532 CD1 TYR A 36 -8.770 2.678 3.251 1.00 0.00 C ATOM 533 CD2 TYR A 36 -6.920 4.131 3.395 1.00 0.00 C ATOM 534 CE1 TYR A 36 -8.814 2.571 4.621 1.00 0.00 C ATOM 535 CE2 TYR A 36 -6.953 4.032 4.773 1.00 0.00 C ATOM 536 CZ TYR A 36 -7.905 3.251 5.380 1.00 0.00 C ATOM 537 OH TYR A 36 -7.943 3.146 6.753 1.00 0.00 O ATOM 0 H TYR A 36 -7.698 0.939 0.223 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.763 3.006 0.616 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.748 3.299 0.781 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.902 4.617 0.828 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.494 2.139 2.658 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.170 4.750 2.925 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.563 1.953 5.094 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.231 4.568 5.371 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.228 3.691 7.143 1.00 0.00 H new ATOM 547 N LYS A 37 -8.939 4.126 -1.639 1.00 0.00 N ATOM 548 CA LYS A 37 -8.840 4.465 -3.039 1.00 0.00 C ATOM 549 C LYS A 37 -8.258 5.854 -3.179 1.00 0.00 C ATOM 550 O LYS A 37 -8.003 6.533 -2.182 1.00 0.00 O ATOM 551 CB LYS A 37 -10.226 4.421 -3.673 1.00 0.00 C ATOM 552 CG LYS A 37 -11.213 5.372 -3.026 1.00 0.00 C ATOM 553 CD LYS A 37 -12.600 5.198 -3.601 1.00 0.00 C ATOM 554 CE LYS A 37 -13.589 6.162 -2.967 1.00 0.00 C ATOM 555 NZ LYS A 37 -14.866 6.242 -3.728 1.00 0.00 N ATOM 0 H LYS A 37 -9.352 4.857 -1.061 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.192 3.749 -3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.141 4.663 -4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.615 3.405 -3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.238 5.197 -1.950 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.882 6.400 -3.174 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.572 5.360 -4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.936 4.173 -3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.797 5.846 -1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.140 7.154 -2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.509 6.911 -3.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.673 6.569 -4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.309 5.302 -3.762 1.00 0.00 H new ATOM 569 N LYS A 38 -8.057 6.274 -4.409 1.00 0.00 N ATOM 570 CA LYS A 38 -7.588 7.618 -4.672 1.00 0.00 C ATOM 571 C LYS A 38 -8.780 8.525 -4.894 1.00 0.00 C ATOM 572 O LYS A 38 -9.657 8.226 -5.705 1.00 0.00 O ATOM 573 CB LYS A 38 -6.676 7.642 -5.900 1.00 0.00 C ATOM 574 CG LYS A 38 -5.801 8.875 -5.961 1.00 0.00 C ATOM 575 CD LYS A 38 -4.710 8.811 -4.914 1.00 0.00 C ATOM 576 CE LYS A 38 -3.437 8.210 -5.482 1.00 0.00 C ATOM 577 NZ LYS A 38 -3.577 6.764 -5.813 1.00 0.00 N ATOM 0 H LYS A 38 -8.211 5.706 -5.242 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.013 7.968 -3.815 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.044 6.754 -5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.287 7.592 -6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.356 8.962 -6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.409 9.766 -5.805 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.505 9.813 -4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.050 8.215 -4.067 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.152 8.757 -6.380 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.629 8.336 -4.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.642 6.366 -6.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.984 6.260 -5.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.203 6.655 -6.636 1.00 0.00 H new ATOM 591 N GLY A 39 -8.819 9.619 -4.150 1.00 0.00 N ATOM 592 CA GLY A 39 -9.906 10.561 -4.289 1.00 0.00 C ATOM 593 C GLY A 39 -9.638 11.512 -5.429 1.00 0.00 C ATOM 594 O GLY A 39 -10.100 11.305 -6.549 1.00 0.00 O ATOM 0 H GLY A 39 -8.118 9.870 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.839 10.026 -4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.031 11.121 -3.362 1.00 0.00 H new ATOM 598 N GLU A 40 -8.888 12.553 -5.142 1.00 0.00 N ATOM 599 CA GLU A 40 -8.303 13.362 -6.192 1.00 0.00 C ATOM 600 C GLU A 40 -6.904 12.843 -6.460 1.00 0.00 C ATOM 601 O GLU A 40 -6.454 11.924 -5.768 1.00 0.00 O ATOM 602 CB GLU A 40 -8.262 14.846 -5.810 1.00 0.00 C ATOM 603 CG GLU A 40 -7.258 15.186 -4.722 1.00 0.00 C ATOM 604 CD GLU A 40 -7.245 16.661 -4.397 1.00 0.00 C ATOM 605 OE1 GLU A 40 -8.270 17.174 -3.904 1.00 0.00 O ATOM 606 OE2 GLU A 40 -6.216 17.317 -4.654 1.00 0.00 O ATOM 0 H GLU A 40 -8.668 12.860 -4.194 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.917 13.286 -7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.028 15.431 -6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.255 15.151 -5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.495 14.620 -3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.262 14.877 -5.040 1.00 0.00 H new ATOM 613 N GLY A 41 -6.221 13.432 -7.430 1.00 0.00 N ATOM 614 CA GLY A 41 -4.897 12.974 -7.814 1.00 0.00 C ATOM 615 C GLY A 41 -3.966 12.721 -6.639 1.00 0.00 C ATOM 616 O GLY A 41 -3.196 11.761 -6.649 1.00 0.00 O ATOM 0 H GLY A 41 -6.564 14.230 -7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.995 12.055 -8.391 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.443 13.716 -8.471 1.00 0.00 H new ATOM 620 N ASN A 42 -4.043 13.565 -5.618 1.00 0.00 N ATOM 621 CA ASN A 42 -3.162 13.431 -4.463 1.00 0.00 C ATOM 622 C ASN A 42 -3.927 13.272 -3.154 1.00 0.00 C ATOM 623 O ASN A 42 -3.655 13.982 -2.188 1.00 0.00 O ATOM 624 CB ASN A 42 -2.229 14.640 -4.356 1.00 0.00 C ATOM 625 CG ASN A 42 -1.186 14.685 -5.443 1.00 0.00 C ATOM 626 OD1 ASN A 42 -1.389 15.278 -6.503 1.00 0.00 O ATOM 627 ND2 ASN A 42 -0.059 14.061 -5.176 1.00 0.00 N ATOM 0 H ASN A 42 -4.700 14.343 -5.565 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.582 12.522 -4.623 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.823 15.553 -4.394 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.732 14.622 -3.386 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.695 14.054 -5.863 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.060 13.584 -4.282 1.00 0.00 H new ATOM 634 N THR A 43 -4.868 12.339 -3.110 1.00 0.00 N ATOM 635 CA THR A 43 -5.562 12.032 -1.865 1.00 0.00 C ATOM 636 C THR A 43 -5.949 10.580 -1.785 1.00 0.00 C ATOM 637 O THR A 43 -6.398 9.991 -2.766 1.00 0.00 O ATOM 638 CB THR A 43 -6.838 12.854 -1.680 1.00 0.00 C ATOM 639 OG1 THR A 43 -7.553 12.915 -2.910 1.00 0.00 O ATOM 640 CG2 THR A 43 -6.516 14.244 -1.183 1.00 0.00 C ATOM 0 H THR A 43 -5.167 11.786 -3.913 1.00 0.00 H new ATOM 0 HA THR A 43 -4.850 12.283 -1.079 1.00 0.00 H new ATOM 0 HB THR A 43 -7.462 12.368 -0.930 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.374 12.106 -3.433 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.440 14.809 -1.059 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.000 14.177 -0.225 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.875 14.749 -1.906 1.00 0.00 H new ATOM 648 N CYS A 44 -5.799 10.017 -0.612 1.00 0.00 N ATOM 649 CA CYS A 44 -6.244 8.669 -0.367 1.00 0.00 C ATOM 650 C CYS A 44 -7.414 8.693 0.587 1.00 0.00 C ATOM 651 O CYS A 44 -7.440 9.470 1.539 1.00 0.00 O ATOM 652 CB CYS A 44 -5.099 7.828 0.171 1.00 0.00 C ATOM 653 SG CYS A 44 -3.699 7.739 -0.984 1.00 0.00 S ATOM 0 H CYS A 44 -5.370 10.475 0.192 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.573 8.213 -1.301 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.759 8.247 1.118 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.459 6.820 0.379 1.00 0.00 H new ATOM 658 N VAL A 45 -8.397 7.864 0.309 1.00 0.00 N ATOM 659 CA VAL A 45 -9.646 7.886 1.039 1.00 0.00 C ATOM 660 C VAL A 45 -10.167 6.487 1.231 1.00 0.00 C ATOM 661 O VAL A 45 -10.009 5.627 0.369 1.00 0.00 O ATOM 662 CB VAL A 45 -10.725 8.720 0.314 1.00 0.00 C ATOM 663 CG1 VAL A 45 -10.343 10.197 0.274 1.00 0.00 C ATOM 664 CG2 VAL A 45 -10.957 8.198 -1.105 1.00 0.00 C ATOM 0 H VAL A 45 -8.353 7.158 -0.426 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.439 8.348 2.004 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.653 8.619 0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.121 10.760 -0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.237 10.573 1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.398 10.314 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.721 8.802 -1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.028 8.259 -1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.288 7.160 -1.061 1.00 0.00 H new ATOM 674 N GLU A 46 -10.779 6.266 2.370 1.00 0.00 N ATOM 675 CA GLU A 46 -11.398 4.998 2.664 1.00 0.00 C ATOM 676 C GLU A 46 -12.511 4.723 1.666 1.00 0.00 C ATOM 677 O GLU A 46 -13.547 5.381 1.695 1.00 0.00 O ATOM 678 CB GLU A 46 -11.960 5.039 4.074 1.00 0.00 C ATOM 679 CG GLU A 46 -10.897 5.080 5.153 1.00 0.00 C ATOM 680 CD GLU A 46 -11.470 5.464 6.495 1.00 0.00 C ATOM 681 OE1 GLU A 46 -11.958 4.568 7.220 1.00 0.00 O ATOM 682 OE2 GLU A 46 -11.456 6.662 6.824 1.00 0.00 O ATOM 0 H GLU A 46 -10.861 6.957 3.115 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.659 4.201 2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.601 5.915 4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.590 4.163 4.230 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.419 4.103 5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.122 5.793 4.872 1.00 0.00 H new ATOM 689 N ASN A 47 -12.295 3.764 0.777 1.00 0.00 N ATOM 690 CA ASN A 47 -13.235 3.512 -0.284 1.00 0.00 C ATOM 691 C ASN A 47 -14.483 2.813 0.219 1.00 0.00 C ATOM 692 O ASN A 47 -15.579 3.080 -0.262 1.00 0.00 O ATOM 693 CB ASN A 47 -12.578 2.714 -1.413 1.00 0.00 C ATOM 694 CG ASN A 47 -11.750 1.561 -0.993 1.00 0.00 C ATOM 695 OD1 ASN A 47 -12.035 0.919 -0.002 1.00 0.00 O ATOM 696 ND2 ASN A 47 -10.753 1.263 -1.799 1.00 0.00 N ATOM 0 H ASN A 47 -11.477 3.154 0.777 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.545 4.479 -0.681 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -13.361 2.351 -2.078 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.954 3.392 -1.995 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.167 0.451 -1.607 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.567 1.844 -2.616 1.00 0.00 H new ATOM 703 N ASN A 48 -14.303 1.907 1.177 1.00 0.00 N ATOM 704 CA ASN A 48 -15.411 1.156 1.787 1.00 0.00 C ATOM 705 C ASN A 48 -15.995 0.134 0.816 1.00 0.00 C ATOM 706 O ASN A 48 -16.592 -0.857 1.233 1.00 0.00 O ATOM 707 CB ASN A 48 -16.515 2.083 2.317 1.00 0.00 C ATOM 708 CG ASN A 48 -16.164 2.704 3.657 1.00 0.00 C ATOM 709 OD1 ASN A 48 -17.043 2.980 4.471 1.00 0.00 O ATOM 710 ND2 ASN A 48 -14.883 2.933 3.896 1.00 0.00 N ATOM 0 H ASN A 48 -13.387 1.669 1.556 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.991 0.620 2.638 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.699 2.875 1.591 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -17.442 1.518 2.414 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.596 3.352 4.781 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.182 2.690 3.196 1.00 0.00 H new ATOM 717 N ASN A 49 -15.809 0.365 -0.478 1.00 0.00 N ATOM 718 CA ASN A 49 -16.139 -0.602 -1.490 1.00 0.00 C ATOM 719 C ASN A 49 -14.939 -0.925 -2.394 1.00 0.00 C ATOM 720 O ASN A 49 -15.021 -0.816 -3.617 1.00 0.00 O ATOM 721 CB ASN A 49 -17.270 -0.085 -2.336 1.00 0.00 C ATOM 722 CG ASN A 49 -17.116 1.369 -2.749 1.00 0.00 C ATOM 723 OD1 ASN A 49 -17.622 2.276 -2.090 1.00 0.00 O ATOM 724 ND2 ASN A 49 -16.409 1.601 -3.843 1.00 0.00 N ATOM 0 H ASN A 49 -15.423 1.235 -0.845 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.433 -1.520 -0.981 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -17.351 -0.700 -3.232 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -18.204 -0.199 -1.786 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -16.268 2.558 -4.166 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.005 0.823 -4.363 1.00 0.00 H new ATOM 731 N PRO A 50 -13.818 -1.343 -1.802 1.00 0.00 N ATOM 732 CA PRO A 50 -12.606 -1.680 -2.531 1.00 0.00 C ATOM 733 C PRO A 50 -12.768 -2.958 -3.331 1.00 0.00 C ATOM 734 O PRO A 50 -13.342 -3.942 -2.860 1.00 0.00 O ATOM 735 CB PRO A 50 -11.549 -1.855 -1.448 1.00 0.00 C ATOM 736 CG PRO A 50 -12.292 -2.090 -0.193 1.00 0.00 C ATOM 737 CD PRO A 50 -13.661 -1.507 -0.374 1.00 0.00 C ATOM 0 HA PRO A 50 -12.345 -0.910 -3.257 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.891 -2.694 -1.676 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.920 -0.969 -1.369 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.353 -3.156 0.024 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.783 -1.622 0.649 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.427 -2.167 0.033 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.754 -0.553 0.144 1.00 0.00 H new ATOM 745 N THR A 51 -12.282 -2.924 -4.548 1.00 0.00 N ATOM 746 CA THR A 51 -12.390 -4.054 -5.445 1.00 0.00 C ATOM 747 C THR A 51 -11.007 -4.497 -5.896 1.00 0.00 C ATOM 748 O THR A 51 -10.090 -3.678 -5.988 1.00 0.00 O ATOM 749 CB THR A 51 -13.248 -3.699 -6.677 1.00 0.00 C ATOM 750 OG1 THR A 51 -13.470 -4.862 -7.483 1.00 0.00 O ATOM 751 CG2 THR A 51 -12.592 -2.606 -7.518 1.00 0.00 C ATOM 0 H THR A 51 -11.802 -2.117 -4.946 1.00 0.00 H new ATOM 0 HA THR A 51 -12.874 -4.869 -4.907 1.00 0.00 H new ATOM 0 HB THR A 51 -14.205 -3.323 -6.314 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.017 -4.622 -8.260 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.223 -2.380 -8.378 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.467 -1.707 -6.914 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.617 -2.949 -7.864 1.00 0.00 H new ATOM 759 N CYS A 52 -10.843 -5.781 -6.169 1.00 0.00 N ATOM 760 CA CYS A 52 -9.639 -6.217 -6.827 1.00 0.00 C ATOM 761 C CYS A 52 -9.922 -6.071 -8.309 1.00 0.00 C ATOM 762 O CYS A 52 -10.927 -6.591 -8.800 1.00 0.00 O ATOM 763 CB CYS A 52 -9.318 -7.672 -6.463 1.00 0.00 C ATOM 764 SG CYS A 52 -7.570 -8.144 -6.704 1.00 0.00 S ATOM 0 H CYS A 52 -11.514 -6.517 -5.949 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.771 -5.631 -6.525 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.586 -7.840 -5.420 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -9.945 -8.331 -7.064 1.00 0.00 H new ATOM 769 N ASP A 53 -9.014 -5.405 -9.005 1.00 0.00 N ATOM 770 CA ASP A 53 -9.277 -4.852 -10.337 1.00 0.00 C ATOM 771 C ASP A 53 -8.370 -3.657 -10.517 1.00 0.00 C ATOM 772 O ASP A 53 -7.613 -3.555 -11.481 1.00 0.00 O ATOM 773 CB ASP A 53 -10.725 -4.358 -10.462 1.00 0.00 C ATOM 774 CG ASP A 53 -11.101 -3.967 -11.875 1.00 0.00 C ATOM 775 OD1 ASP A 53 -11.390 -4.870 -12.685 1.00 0.00 O ATOM 776 OD2 ASP A 53 -11.140 -2.756 -12.175 1.00 0.00 O ATOM 0 H ASP A 53 -8.068 -5.229 -8.666 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.105 -5.627 -11.083 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.400 -5.141 -10.116 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.868 -3.501 -9.804 1.00 0.00 H new ATOM 781 N ILE A 54 -8.470 -2.757 -9.544 1.00 0.00 N ATOM 782 CA ILE A 54 -7.638 -1.575 -9.478 1.00 0.00 C ATOM 783 C ILE A 54 -6.212 -1.969 -9.194 1.00 0.00 C ATOM 784 O ILE A 54 -5.830 -2.087 -8.026 1.00 0.00 O ATOM 785 CB ILE A 54 -8.095 -0.633 -8.359 1.00 0.00 C ATOM 786 CG1 ILE A 54 -9.568 -0.257 -8.560 1.00 0.00 C ATOM 787 CG2 ILE A 54 -7.183 0.590 -8.327 1.00 0.00 C ATOM 788 CD1 ILE A 54 -10.167 0.510 -7.401 1.00 0.00 C ATOM 0 H ILE A 54 -9.138 -2.834 -8.777 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.719 -1.065 -10.438 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.021 -1.130 -7.392 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.660 0.342 -9.466 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.147 -1.167 -8.719 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.505 1.263 -7.532 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.157 0.274 -8.141 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.235 1.108 -9.285 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.210 0.740 -7.617 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.109 -0.094 -6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.614 1.438 -7.254 1.00 0.00 H new ATOM 800 N ASN A 55 -5.446 -2.201 -10.256 1.00 0.00 N ATOM 801 CA ASN A 55 -4.065 -2.669 -10.145 1.00 0.00 C ATOM 802 C ASN A 55 -4.046 -4.117 -9.676 1.00 0.00 C ATOM 803 O ASN A 55 -3.492 -5.005 -10.325 1.00 0.00 O ATOM 804 CB ASN A 55 -3.266 -1.801 -9.162 1.00 0.00 C ATOM 805 CG ASN A 55 -1.772 -2.021 -9.297 1.00 0.00 C ATOM 806 OD1 ASN A 55 -1.265 -2.262 -10.392 1.00 0.00 O ATOM 807 ND2 ASN A 55 -1.057 -1.963 -8.192 1.00 0.00 N ATOM 0 H ASN A 55 -5.763 -2.071 -11.217 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.601 -2.595 -11.128 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.495 -0.750 -9.337 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.576 -2.029 -8.142 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.050 -2.120 -8.227 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.511 -1.761 -7.301 1.00 0.00 H new ATOM 814 N ASN A 56 -4.710 -4.309 -8.556 1.00 0.00 N ATOM 815 CA ASN A 56 -4.754 -5.555 -7.813 1.00 0.00 C ATOM 816 C ASN A 56 -5.344 -5.282 -6.438 1.00 0.00 C ATOM 817 O ASN A 56 -4.842 -5.760 -5.437 1.00 0.00 O ATOM 818 CB ASN A 56 -3.371 -6.175 -7.666 1.00 0.00 C ATOM 819 CG ASN A 56 -2.392 -5.258 -7.022 1.00 0.00 C ATOM 820 OD1 ASN A 56 -2.609 -4.056 -6.896 1.00 0.00 O ATOM 821 ND2 ASN A 56 -1.291 -5.819 -6.640 1.00 0.00 N ATOM 0 H ASN A 56 -5.259 -3.569 -8.117 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.373 -6.264 -8.362 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.448 -7.088 -7.076 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.000 -6.462 -8.650 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.555 -5.258 -6.212 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.159 -6.822 -6.767 1.00 0.00 H new ATOM 828 N GLY A 57 -6.387 -4.459 -6.387 1.00 0.00 N ATOM 829 CA GLY A 57 -7.039 -4.170 -5.129 1.00 0.00 C ATOM 830 C GLY A 57 -6.417 -2.995 -4.400 1.00 0.00 C ATOM 831 O GLY A 57 -6.984 -2.492 -3.430 1.00 0.00 O ATOM 0 H GLY A 57 -6.790 -3.988 -7.197 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.093 -3.962 -5.311 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.994 -5.052 -4.491 1.00 0.00 H new ATOM 835 N GLY A 58 -5.270 -2.539 -4.880 1.00 0.00 N ATOM 836 CA GLY A 58 -4.531 -1.515 -4.176 1.00 0.00 C ATOM 837 C GLY A 58 -3.284 -2.095 -3.541 1.00 0.00 C ATOM 838 O GLY A 58 -2.710 -1.524 -2.617 1.00 0.00 O ATOM 0 H GLY A 58 -4.838 -2.861 -5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.256 -0.718 -4.867 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.162 -1.068 -3.408 1.00 0.00 H new ATOM 842 N CYS A 59 -2.854 -3.214 -4.090 1.00 0.00 N ATOM 843 CA CYS A 59 -1.733 -3.981 -3.596 1.00 0.00 C ATOM 844 C CYS A 59 -0.555 -3.774 -4.522 1.00 0.00 C ATOM 845 O CYS A 59 -0.598 -2.966 -5.454 1.00 0.00 O ATOM 846 CB CYS A 59 -2.090 -5.476 -3.558 1.00 0.00 C ATOM 847 SG CYS A 59 -3.711 -5.870 -2.825 1.00 0.00 S ATOM 0 H CYS A 59 -3.289 -3.625 -4.916 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.484 -3.650 -2.588 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.066 -5.865 -4.576 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.318 -6.003 -2.997 1.00 0.00 H new ATOM 852 N ASP A 60 0.503 -4.479 -4.243 1.00 0.00 N ATOM 853 CA ASP A 60 1.656 -4.494 -5.105 1.00 0.00 C ATOM 854 C ASP A 60 1.562 -5.756 -5.910 1.00 0.00 C ATOM 855 O ASP A 60 1.038 -6.740 -5.427 1.00 0.00 O ATOM 856 CB ASP A 60 2.901 -4.532 -4.238 1.00 0.00 C ATOM 857 CG ASP A 60 4.180 -4.281 -5.005 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.726 -5.243 -5.584 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.651 -3.130 -5.017 1.00 0.00 O ATOM 0 H ASP A 60 0.594 -5.062 -3.411 1.00 0.00 H new ATOM 0 HA ASP A 60 1.700 -3.618 -5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.807 -3.785 -3.449 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.964 -5.505 -3.750 1.00 0.00 H new ATOM 864 N PRO A 61 1.970 -5.727 -7.181 1.00 0.00 N ATOM 865 CA PRO A 61 1.858 -6.885 -8.062 1.00 0.00 C ATOM 866 C PRO A 61 2.525 -8.126 -7.469 1.00 0.00 C ATOM 867 O PRO A 61 2.247 -9.254 -7.883 1.00 0.00 O ATOM 868 CB PRO A 61 2.585 -6.449 -9.333 1.00 0.00 C ATOM 869 CG PRO A 61 2.590 -4.963 -9.306 1.00 0.00 C ATOM 870 CD PRO A 61 2.543 -4.556 -7.864 1.00 0.00 C ATOM 0 HA PRO A 61 0.818 -7.166 -8.230 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.601 -6.843 -9.357 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.077 -6.822 -10.222 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.485 -4.571 -9.789 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.733 -4.564 -9.849 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.537 -4.319 -7.484 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.927 -3.669 -7.720 1.00 0.00 H new ATOM 878 N THR A 62 3.406 -7.904 -6.497 1.00 0.00 N ATOM 879 CA THR A 62 4.073 -8.987 -5.795 1.00 0.00 C ATOM 880 C THR A 62 3.266 -9.399 -4.565 1.00 0.00 C ATOM 881 O THR A 62 3.515 -10.437 -3.956 1.00 0.00 O ATOM 882 CB THR A 62 5.495 -8.565 -5.379 1.00 0.00 C ATOM 883 OG1 THR A 62 5.439 -7.510 -4.410 1.00 0.00 O ATOM 884 CG2 THR A 62 6.263 -8.082 -6.596 1.00 0.00 C ATOM 0 H THR A 62 3.674 -6.973 -6.178 1.00 0.00 H new ATOM 0 HA THR A 62 4.146 -9.841 -6.469 1.00 0.00 H new ATOM 0 HB THR A 62 5.999 -9.427 -4.942 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.955 -6.746 -4.786 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.268 -7.784 -6.297 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.325 -8.886 -7.330 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.748 -7.228 -7.036 1.00 0.00 H new ATOM 892 N ALA A 63 2.304 -8.559 -4.207 1.00 0.00 N ATOM 893 CA ALA A 63 1.332 -8.872 -3.174 1.00 0.00 C ATOM 894 C ALA A 63 0.093 -9.503 -3.805 1.00 0.00 C ATOM 895 O ALA A 63 -0.591 -8.873 -4.611 1.00 0.00 O ATOM 896 CB ALA A 63 0.947 -7.615 -2.393 1.00 0.00 C ATOM 0 H ALA A 63 2.177 -7.639 -4.628 1.00 0.00 H new ATOM 0 HA ALA A 63 1.779 -9.581 -2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.218 -7.873 -1.625 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.835 -7.192 -1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.513 -6.883 -3.074 1.00 0.00 H new ATOM 902 N SER A 64 -0.176 -10.751 -3.452 1.00 0.00 N ATOM 903 CA SER A 64 -1.346 -11.457 -3.952 1.00 0.00 C ATOM 904 C SER A 64 -2.607 -10.774 -3.451 1.00 0.00 C ATOM 905 O SER A 64 -2.752 -10.546 -2.249 1.00 0.00 O ATOM 906 CB SER A 64 -1.312 -12.922 -3.497 1.00 0.00 C ATOM 907 OG SER A 64 -2.418 -13.652 -4.002 1.00 0.00 O ATOM 0 H SER A 64 0.405 -11.299 -2.817 1.00 0.00 H new ATOM 0 HA SER A 64 -1.342 -11.435 -5.042 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.385 -13.386 -3.833 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.314 -12.965 -2.408 1.00 0.00 H new ATOM 0 HG SER A 64 -2.365 -14.581 -3.695 1.00 0.00 H new ATOM 913 N CYS A 65 -3.494 -10.423 -4.370 1.00 0.00 N ATOM 914 CA CYS A 65 -4.723 -9.733 -4.015 1.00 0.00 C ATOM 915 C CYS A 65 -5.898 -10.685 -3.907 1.00 0.00 C ATOM 916 O CYS A 65 -6.080 -11.589 -4.726 1.00 0.00 O ATOM 917 CB CYS A 65 -5.067 -8.641 -5.026 1.00 0.00 C ATOM 918 SG CYS A 65 -6.761 -7.973 -4.848 1.00 0.00 S ATOM 0 H CYS A 65 -3.385 -10.605 -5.368 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.542 -9.280 -3.040 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.352 -7.825 -4.922 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.949 -9.041 -6.033 1.00 0.00 H new ATOM 923 N GLN A 66 -6.682 -10.458 -2.879 1.00 0.00 N ATOM 924 CA GLN A 66 -7.945 -11.143 -2.683 1.00 0.00 C ATOM 925 C GLN A 66 -9.014 -10.098 -2.438 1.00 0.00 C ATOM 926 O GLN A 66 -8.770 -9.122 -1.725 1.00 0.00 O ATOM 927 CB GLN A 66 -7.878 -12.061 -1.464 1.00 0.00 C ATOM 928 CG GLN A 66 -6.551 -12.757 -1.302 1.00 0.00 C ATOM 929 CD GLN A 66 -6.552 -14.168 -1.856 1.00 0.00 C ATOM 930 OE1 GLN A 66 -7.298 -14.489 -2.784 1.00 0.00 O ATOM 931 NE2 GLN A 66 -5.721 -15.022 -1.285 1.00 0.00 N ATOM 0 H GLN A 66 -6.461 -9.785 -2.145 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.169 -11.743 -3.565 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.083 -11.476 -0.568 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.665 -12.811 -1.542 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.778 -12.176 -1.805 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.290 -12.788 -0.244 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.121 -14.715 -0.520 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.680 -15.988 -1.610 1.00 0.00 H new ATOM 940 N ASN A 67 -10.178 -10.277 -3.026 1.00 0.00 N ATOM 941 CA ASN A 67 -11.285 -9.389 -2.735 1.00 0.00 C ATOM 942 C ASN A 67 -12.149 -9.971 -1.646 1.00 0.00 C ATOM 943 O ASN A 67 -12.385 -11.183 -1.587 1.00 0.00 O ATOM 944 CB ASN A 67 -12.128 -9.063 -3.966 1.00 0.00 C ATOM 945 CG ASN A 67 -12.298 -10.232 -4.909 1.00 0.00 C ATOM 946 OD1 ASN A 67 -13.232 -11.020 -4.780 1.00 0.00 O ATOM 947 ND2 ASN A 67 -11.397 -10.356 -5.869 1.00 0.00 N ATOM 0 H ASN A 67 -10.382 -11.017 -3.698 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.853 -8.448 -2.395 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.111 -8.722 -3.643 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.665 -8.236 -4.505 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.464 -11.126 -6.535 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.636 -9.682 -5.944 1.00 0.00 H new ATOM 954 N ALA A 68 -12.602 -9.095 -0.785 1.00 0.00 N ATOM 955 CA ALA A 68 -13.349 -9.474 0.394 1.00 0.00 C ATOM 956 C ALA A 68 -14.084 -8.273 0.951 1.00 0.00 C ATOM 957 O ALA A 68 -13.892 -7.147 0.492 1.00 0.00 O ATOM 958 CB ALA A 68 -12.410 -10.045 1.441 1.00 0.00 C ATOM 0 H ALA A 68 -12.463 -8.089 -0.881 1.00 0.00 H new ATOM 0 HA ALA A 68 -14.079 -10.237 0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.980 -10.328 2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.906 -10.924 1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.668 -9.294 1.713 1.00 0.00 H new ATOM 964 N GLU A 69 -14.932 -8.512 1.928 1.00 0.00 N ATOM 965 CA GLU A 69 -15.613 -7.432 2.609 1.00 0.00 C ATOM 966 C GLU A 69 -15.661 -7.685 4.106 1.00 0.00 C ATOM 967 O GLU A 69 -16.249 -8.656 4.581 1.00 0.00 O ATOM 968 CB GLU A 69 -17.004 -7.200 2.037 1.00 0.00 C ATOM 969 CG GLU A 69 -17.798 -8.463 1.931 1.00 0.00 C ATOM 970 CD GLU A 69 -19.247 -8.220 1.565 1.00 0.00 C ATOM 971 OE1 GLU A 69 -19.511 -7.756 0.438 1.00 0.00 O ATOM 972 OE2 GLU A 69 -20.130 -8.476 2.415 1.00 0.00 O ATOM 0 H GLU A 69 -15.166 -9.444 2.269 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.042 -6.518 2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -17.539 -6.490 2.668 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.916 -6.746 1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -17.343 -9.110 1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.753 -8.995 2.881 1.00 0.00 H new ATOM 979 N SER A 70 -14.996 -6.815 4.831 1.00 0.00 N ATOM 980 CA SER A 70 -14.941 -6.882 6.272 1.00 0.00 C ATOM 981 C SER A 70 -15.411 -5.556 6.842 1.00 0.00 C ATOM 982 O SER A 70 -15.482 -4.565 6.110 1.00 0.00 O ATOM 983 CB SER A 70 -13.506 -7.195 6.721 1.00 0.00 C ATOM 984 OG SER A 70 -13.402 -7.289 8.133 1.00 0.00 O ATOM 0 H SER A 70 -14.474 -6.034 4.433 1.00 0.00 H new ATOM 0 HA SER A 70 -15.592 -7.676 6.638 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.181 -8.132 6.270 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.834 -6.417 6.358 1.00 0.00 H new ATOM 0 HG SER A 70 -12.767 -6.618 8.460 1.00 0.00 H new ATOM 990 N THR A 71 -15.739 -5.532 8.125 1.00 0.00 N ATOM 991 CA THR A 71 -16.113 -4.296 8.790 1.00 0.00 C ATOM 992 C THR A 71 -14.996 -3.258 8.637 1.00 0.00 C ATOM 993 O THR A 71 -15.241 -2.049 8.629 1.00 0.00 O ATOM 994 CB THR A 71 -16.432 -4.546 10.283 1.00 0.00 C ATOM 995 OG1 THR A 71 -16.770 -3.319 10.940 1.00 0.00 O ATOM 996 CG2 THR A 71 -15.257 -5.205 10.992 1.00 0.00 C ATOM 0 H THR A 71 -15.753 -6.356 8.726 1.00 0.00 H new ATOM 0 HA THR A 71 -17.016 -3.908 8.318 1.00 0.00 H new ATOM 0 HB THR A 71 -17.287 -5.220 10.330 1.00 0.00 H new ATOM 0 HG1 THR A 71 -16.970 -3.497 11.883 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.510 -5.369 12.040 1.00 0.00 H new ATOM 0 HG22 THR A 71 -15.036 -6.161 10.518 1.00 0.00 H new ATOM 0 HG23 THR A 71 -14.383 -4.557 10.926 1.00 0.00 H new ATOM 1004 N GLU A 72 -13.770 -3.748 8.488 1.00 0.00 N ATOM 1005 CA GLU A 72 -12.636 -2.901 8.171 1.00 0.00 C ATOM 1006 C GLU A 72 -12.452 -2.842 6.663 1.00 0.00 C ATOM 1007 O GLU A 72 -12.516 -3.865 5.983 1.00 0.00 O ATOM 1008 CB GLU A 72 -11.361 -3.449 8.799 1.00 0.00 C ATOM 1009 CG GLU A 72 -11.485 -3.724 10.281 1.00 0.00 C ATOM 1010 CD GLU A 72 -10.206 -4.250 10.893 1.00 0.00 C ATOM 1011 OE1 GLU A 72 -9.179 -3.551 10.833 1.00 0.00 O ATOM 1012 OE2 GLU A 72 -10.225 -5.375 11.437 1.00 0.00 O ATOM 0 H GLU A 72 -13.540 -4.737 8.584 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.830 -1.905 8.569 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.082 -4.371 8.289 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.551 -2.738 8.637 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.775 -2.806 10.792 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.284 -4.447 10.445 1.00 0.00 H new ATOM 1019 N ASN A 73 -12.247 -1.646 6.144 1.00 0.00 N ATOM 1020 CA ASN A 73 -11.909 -1.474 4.736 1.00 0.00 C ATOM 1021 C ASN A 73 -10.542 -2.074 4.451 1.00 0.00 C ATOM 1022 O ASN A 73 -10.314 -2.638 3.382 1.00 0.00 O ATOM 1023 CB ASN A 73 -11.943 0.006 4.333 1.00 0.00 C ATOM 1024 CG ASN A 73 -11.495 0.931 5.452 1.00 0.00 C ATOM 1025 OD1 ASN A 73 -10.601 0.604 6.228 1.00 0.00 O ATOM 1026 ND2 ASN A 73 -12.141 2.080 5.567 1.00 0.00 N ATOM 0 H ASN A 73 -12.308 -0.776 6.673 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.656 -1.997 4.139 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.301 0.156 3.465 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -12.956 0.272 4.031 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.901 2.727 6.319 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -12.878 2.319 4.904 1.00 0.00 H new ATOM 1033 N SER A 74 -9.654 -1.983 5.429 1.00 0.00 N ATOM 1034 CA SER A 74 -8.316 -2.534 5.314 1.00 0.00 C ATOM 1035 C SER A 74 -8.358 -4.053 5.210 1.00 0.00 C ATOM 1036 O SER A 74 -7.471 -4.673 4.623 1.00 0.00 O ATOM 1037 CB SER A 74 -7.487 -2.104 6.521 1.00 0.00 C ATOM 1038 OG SER A 74 -8.185 -2.363 7.728 1.00 0.00 O ATOM 0 H SER A 74 -9.841 -1.526 6.322 1.00 0.00 H new ATOM 0 HA SER A 74 -7.855 -2.152 4.403 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.536 -2.637 6.524 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.256 -1.041 6.450 1.00 0.00 H new ATOM 0 HG SER A 74 -7.636 -2.082 8.490 1.00 0.00 H new ATOM 1044 N LYS A 75 -9.402 -4.649 5.771 1.00 0.00 N ATOM 1045 CA LYS A 75 -9.568 -6.093 5.733 1.00 0.00 C ATOM 1046 C LYS A 75 -10.428 -6.529 4.555 1.00 0.00 C ATOM 1047 O LYS A 75 -10.881 -7.672 4.499 1.00 0.00 O ATOM 1048 CB LYS A 75 -10.186 -6.587 7.040 1.00 0.00 C ATOM 1049 CG LYS A 75 -9.234 -6.543 8.216 1.00 0.00 C ATOM 1050 CD LYS A 75 -9.023 -7.930 8.787 1.00 0.00 C ATOM 1051 CE LYS A 75 -10.284 -8.448 9.460 1.00 0.00 C ATOM 1052 NZ LYS A 75 -10.439 -7.913 10.840 1.00 0.00 N ATOM 0 H LYS A 75 -10.147 -4.152 6.259 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.580 -6.536 5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.062 -5.981 7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.534 -7.611 6.903 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.278 -6.125 7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.631 -5.883 8.987 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.727 -8.612 7.990 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.206 -7.908 9.508 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.153 -8.171 8.864 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.255 -9.537 9.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.311 -8.291 11.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.622 -8.199 11.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.492 -6.875 10.806 1.00 0.00 H new ATOM 1066 N LYS A 76 -10.656 -5.627 3.612 1.00 0.00 N ATOM 1067 CA LYS A 76 -11.443 -5.965 2.437 1.00 0.00 C ATOM 1068 C LYS A 76 -10.548 -6.435 1.307 1.00 0.00 C ATOM 1069 O LYS A 76 -10.809 -7.453 0.679 1.00 0.00 O ATOM 1070 CB LYS A 76 -12.278 -4.790 1.963 1.00 0.00 C ATOM 1071 CG LYS A 76 -13.266 -4.275 2.994 1.00 0.00 C ATOM 1072 CD LYS A 76 -14.312 -3.394 2.338 1.00 0.00 C ATOM 1073 CE LYS A 76 -14.617 -2.133 3.128 1.00 0.00 C ATOM 1074 NZ LYS A 76 -15.059 -2.424 4.517 1.00 0.00 N ATOM 0 H LYS A 76 -10.312 -4.667 3.636 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.116 -6.772 2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.611 -3.977 1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.825 -5.085 1.067 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.751 -5.115 3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.737 -3.711 3.762 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.969 -3.116 1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.231 -3.966 2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.728 -1.503 3.158 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.393 -1.565 2.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.073 -2.212 4.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.894 -3.428 4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.520 -1.835 5.183 1.00 0.00 H new ATOM 1088 N ILE A 77 -9.497 -5.687 1.038 1.00 0.00 N ATOM 1089 CA ILE A 77 -8.533 -6.107 0.041 1.00 0.00 C ATOM 1090 C ILE A 77 -7.350 -6.749 0.728 1.00 0.00 C ATOM 1091 O ILE A 77 -6.642 -6.116 1.516 1.00 0.00 O ATOM 1092 CB ILE A 77 -8.048 -4.944 -0.850 1.00 0.00 C ATOM 1093 CG1 ILE A 77 -9.217 -4.327 -1.614 1.00 0.00 C ATOM 1094 CG2 ILE A 77 -6.985 -5.417 -1.829 1.00 0.00 C ATOM 1095 CD1 ILE A 77 -10.002 -5.332 -2.425 1.00 0.00 C ATOM 0 H ILE A 77 -9.290 -4.796 1.489 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.032 -6.822 -0.613 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.611 -4.186 -0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.887 -3.840 -0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.838 -3.551 -2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.659 -4.579 -2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.133 -5.814 -1.277 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.400 -6.197 -2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.817 -4.825 -2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.345 -5.802 -3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.411 -6.095 -1.762 1.00 0.00 H new ATOM 1107 N ILE A 78 -7.163 -8.012 0.438 1.00 0.00 N ATOM 1108 CA ILE A 78 -6.103 -8.783 1.046 1.00 0.00 C ATOM 1109 C ILE A 78 -4.875 -8.767 0.161 1.00 0.00 C ATOM 1110 O ILE A 78 -4.849 -9.401 -0.890 1.00 0.00 O ATOM 1111 CB ILE A 78 -6.521 -10.247 1.296 1.00 0.00 C ATOM 1112 CG1 ILE A 78 -7.779 -10.333 2.167 1.00 0.00 C ATOM 1113 CG2 ILE A 78 -5.380 -11.015 1.937 1.00 0.00 C ATOM 1114 CD1 ILE A 78 -9.057 -10.028 1.417 1.00 0.00 C ATOM 0 H ILE A 78 -7.737 -8.535 -0.223 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.882 -8.321 2.008 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.756 -10.697 0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.848 -11.334 2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.682 -9.637 3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.687 -12.047 2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.514 -10.999 1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.118 -10.551 2.888 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.906 -10.108 2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.009 -9.017 1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.178 -10.739 0.600 1.00 0.00 H new ATOM 1126 N CYS A 79 -3.876 -8.021 0.582 1.00 0.00 N ATOM 1127 CA CYS A 79 -2.619 -7.962 -0.132 1.00 0.00 C ATOM 1128 C CYS A 79 -1.564 -8.760 0.616 1.00 0.00 C ATOM 1129 O CYS A 79 -1.151 -8.392 1.716 1.00 0.00 O ATOM 1130 CB CYS A 79 -2.185 -6.511 -0.286 1.00 0.00 C ATOM 1131 SG CYS A 79 -3.520 -5.424 -0.864 1.00 0.00 S ATOM 0 H CYS A 79 -3.911 -7.443 1.422 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.743 -8.396 -1.124 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.816 -6.145 0.672 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.353 -6.460 -0.989 1.00 0.00 H new ATOM 1136 N THR A 80 -1.145 -9.854 0.018 1.00 0.00 N ATOM 1137 CA THR A 80 -0.170 -10.736 0.631 1.00 0.00 C ATOM 1138 C THR A 80 1.140 -10.712 -0.143 1.00 0.00 C ATOM 1139 O THR A 80 1.208 -11.186 -1.277 1.00 0.00 O ATOM 1140 CB THR A 80 -0.706 -12.184 0.700 1.00 0.00 C ATOM 1141 OG1 THR A 80 -1.760 -12.277 1.669 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.403 -13.173 1.041 1.00 0.00 C ATOM 0 H THR A 80 -1.467 -10.158 -0.901 1.00 0.00 H new ATOM 0 HA THR A 80 0.011 -10.378 1.645 1.00 0.00 H new ATOM 0 HB THR A 80 -1.097 -12.441 -0.284 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.093 -13.198 1.703 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.009 -14.181 1.081 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.178 -13.128 0.276 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.833 -12.918 2.009 1.00 0.00 H new ATOM 1150 N CYS A 81 2.183 -10.187 0.475 1.00 0.00 N ATOM 1151 CA CYS A 81 3.478 -10.126 -0.173 1.00 0.00 C ATOM 1152 C CYS A 81 4.152 -11.489 -0.037 1.00 0.00 C ATOM 1153 O CYS A 81 4.053 -12.145 1.001 1.00 0.00 O ATOM 1154 CB CYS A 81 4.345 -9.023 0.450 1.00 0.00 C ATOM 1155 SG CYS A 81 3.488 -7.427 0.705 1.00 0.00 S ATOM 0 H CYS A 81 2.158 -9.800 1.418 1.00 0.00 H new ATOM 0 HA CYS A 81 3.352 -9.884 -1.228 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.721 -9.375 1.411 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.211 -8.856 -0.190 1.00 0.00 H new ATOM 1160 N LYS A 82 4.798 -11.919 -1.109 1.00 0.00 N ATOM 1161 CA LYS A 82 5.293 -13.286 -1.228 1.00 0.00 C ATOM 1162 C LYS A 82 6.513 -13.573 -0.352 1.00 0.00 C ATOM 1163 O LYS A 82 6.975 -12.726 0.409 1.00 0.00 O ATOM 1164 CB LYS A 82 5.613 -13.598 -2.690 1.00 0.00 C ATOM 1165 CG LYS A 82 4.422 -14.084 -3.507 1.00 0.00 C ATOM 1166 CD LYS A 82 3.158 -13.289 -3.218 1.00 0.00 C ATOM 1167 CE LYS A 82 2.116 -13.472 -4.305 1.00 0.00 C ATOM 1168 NZ LYS A 82 1.717 -14.896 -4.478 1.00 0.00 N ATOM 0 H LYS A 82 4.995 -11.334 -1.921 1.00 0.00 H new ATOM 0 HA LYS A 82 4.496 -13.937 -0.868 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.018 -12.702 -3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.395 -14.357 -2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.659 -14.011 -4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.243 -15.137 -3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.743 -13.602 -2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.407 -12.232 -3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.235 -12.878 -4.063 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.508 -13.091 -5.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.956 -14.960 -5.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.536 -15.449 -4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.380 -15.275 -3.570 1.00 0.00 H new ATOM 1182 N GLU A 83 7.028 -14.781 -0.483 1.00 0.00 N ATOM 1183 CA GLU A 83 8.149 -15.256 0.321 1.00 0.00 C ATOM 1184 C GLU A 83 9.431 -14.399 0.207 1.00 0.00 C ATOM 1185 O GLU A 83 10.119 -14.215 1.213 1.00 0.00 O ATOM 1186 CB GLU A 83 8.432 -16.707 -0.046 1.00 0.00 C ATOM 1187 CG GLU A 83 7.192 -17.575 0.054 1.00 0.00 C ATOM 1188 CD GLU A 83 7.417 -18.996 -0.405 1.00 0.00 C ATOM 1189 OE1 GLU A 83 7.483 -19.229 -1.634 1.00 0.00 O ATOM 1190 OE2 GLU A 83 7.525 -19.891 0.453 1.00 0.00 O ATOM 0 H GLU A 83 6.682 -15.468 -1.153 1.00 0.00 H new ATOM 0 HA GLU A 83 7.851 -15.168 1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.825 -16.753 -1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.205 -17.103 0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.847 -17.585 1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.396 -17.130 -0.543 1.00 0.00 H new ATOM 1197 N PRO A 84 9.793 -13.847 -0.980 1.00 0.00 N ATOM 1198 CA PRO A 84 11.012 -13.038 -1.109 1.00 0.00 C ATOM 1199 C PRO A 84 10.842 -11.656 -0.508 1.00 0.00 C ATOM 1200 O PRO A 84 11.778 -10.855 -0.462 1.00 0.00 O ATOM 1201 CB PRO A 84 11.207 -12.914 -2.607 1.00 0.00 C ATOM 1202 CG PRO A 84 9.838 -13.015 -3.175 1.00 0.00 C ATOM 1203 CD PRO A 84 9.077 -13.942 -2.268 1.00 0.00 C ATOM 0 HA PRO A 84 11.853 -13.495 -0.588 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.675 -11.965 -2.868 1.00 0.00 H new ATOM 0 HB3 PRO A 84 11.854 -13.704 -2.989 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.362 -12.036 -3.220 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.866 -13.403 -4.193 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.035 -13.638 -2.169 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.076 -14.963 -2.650 1.00 0.00 H new ATOM 1211 N THR A 85 9.634 -11.380 -0.073 1.00 0.00 N ATOM 1212 CA THR A 85 9.305 -10.112 0.528 1.00 0.00 C ATOM 1213 C THR A 85 8.976 -10.339 1.995 1.00 0.00 C ATOM 1214 O THR A 85 7.821 -10.537 2.368 1.00 0.00 O ATOM 1215 CB THR A 85 8.124 -9.452 -0.216 1.00 0.00 C ATOM 1216 OG1 THR A 85 6.924 -10.200 -0.045 1.00 0.00 O ATOM 1217 CG2 THR A 85 8.422 -9.375 -1.695 1.00 0.00 C ATOM 0 H THR A 85 8.851 -12.032 -0.127 1.00 0.00 H new ATOM 0 HA THR A 85 10.155 -9.433 0.454 1.00 0.00 H new ATOM 0 HB THR A 85 7.992 -8.454 0.201 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.114 -11.008 0.476 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.583 -8.908 -2.211 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.322 -8.781 -1.854 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.576 -10.380 -2.088 1.00 0.00 H new ATOM 1225 N PRO A 86 10.008 -10.352 2.850 1.00 0.00 N ATOM 1226 CA PRO A 86 9.848 -10.629 4.278 1.00 0.00 C ATOM 1227 C PRO A 86 9.050 -9.537 4.961 1.00 0.00 C ATOM 1228 O PRO A 86 8.596 -9.686 6.095 1.00 0.00 O ATOM 1229 CB PRO A 86 11.291 -10.655 4.800 1.00 0.00 C ATOM 1230 CG PRO A 86 12.132 -10.857 3.590 1.00 0.00 C ATOM 1231 CD PRO A 86 11.420 -10.111 2.506 1.00 0.00 C ATOM 0 HA PRO A 86 9.306 -11.555 4.470 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.545 -9.724 5.307 1.00 0.00 H new ATOM 0 HB3 PRO A 86 11.436 -11.460 5.521 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.141 -10.472 3.740 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.228 -11.915 3.346 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.666 -9.049 2.511 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.670 -10.492 1.516 1.00 0.00 H new ATOM 1239 N ASN A 87 8.881 -8.440 4.244 1.00 0.00 N ATOM 1240 CA ASN A 87 8.208 -7.273 4.756 1.00 0.00 C ATOM 1241 C ASN A 87 7.263 -6.729 3.703 1.00 0.00 C ATOM 1242 O ASN A 87 7.107 -7.318 2.632 1.00 0.00 O ATOM 1243 CB ASN A 87 9.238 -6.206 5.081 1.00 0.00 C ATOM 1244 CG ASN A 87 10.413 -6.733 5.864 1.00 0.00 C ATOM 1245 OD1 ASN A 87 10.392 -6.815 7.090 1.00 0.00 O ATOM 1246 ND2 ASN A 87 11.461 -7.069 5.132 1.00 0.00 N ATOM 0 H ASN A 87 9.211 -8.339 3.284 1.00 0.00 H new ATOM 0 HA ASN A 87 7.649 -7.543 5.652 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.598 -5.763 4.152 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.759 -5.409 5.650 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.307 -7.417 5.583 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.423 -6.981 4.117 1.00 0.00 H new ATOM 1253 N ALA A 88 6.672 -5.587 3.988 1.00 0.00 N ATOM 1254 CA ALA A 88 5.809 -4.921 3.039 1.00 0.00 C ATOM 1255 C ALA A 88 5.934 -3.418 3.191 1.00 0.00 C ATOM 1256 O ALA A 88 6.187 -2.917 4.288 1.00 0.00 O ATOM 1257 CB ALA A 88 4.370 -5.355 3.251 1.00 0.00 C ATOM 0 H ALA A 88 6.776 -5.099 4.877 1.00 0.00 H new ATOM 0 HA ALA A 88 6.111 -5.197 2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.727 -4.848 2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.291 -6.433 3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.057 -5.096 4.262 1.00 0.00 H new ATOM 1263 N TYR A 89 5.783 -2.702 2.086 1.00 0.00 N ATOM 1264 CA TYR A 89 5.692 -1.258 2.135 1.00 0.00 C ATOM 1265 C TYR A 89 4.313 -0.939 2.705 1.00 0.00 C ATOM 1266 O TYR A 89 3.298 -1.064 2.014 1.00 0.00 O ATOM 1267 CB TYR A 89 5.853 -0.621 0.736 1.00 0.00 C ATOM 1268 CG TYR A 89 7.018 -1.114 -0.108 1.00 0.00 C ATOM 1269 CD1 TYR A 89 8.083 -1.827 0.424 1.00 0.00 C ATOM 1270 CD2 TYR A 89 7.039 -0.838 -1.467 1.00 0.00 C ATOM 1271 CE1 TYR A 89 9.125 -2.238 -0.381 1.00 0.00 C ATOM 1272 CE2 TYR A 89 8.067 -1.248 -2.275 1.00 0.00 C ATOM 1273 CZ TYR A 89 9.109 -1.945 -1.735 1.00 0.00 C ATOM 1274 OH TYR A 89 10.146 -2.331 -2.547 1.00 0.00 O ATOM 0 H TYR A 89 5.722 -3.100 1.149 1.00 0.00 H new ATOM 0 HA TYR A 89 6.493 -0.849 2.750 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.932 -0.790 0.177 1.00 0.00 H new ATOM 0 HB3 TYR A 89 5.956 0.457 0.862 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.096 -2.062 1.478 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.221 -0.283 -1.902 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.952 -2.787 0.044 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.053 -1.021 -3.331 1.00 0.00 H new ATOM 0 HH TYR A 89 9.967 -2.042 -3.466 1.00 0.00 H new ATOM 1284 N TYR A 90 4.292 -0.571 3.977 1.00 0.00 N ATOM 1285 CA TYR A 90 3.058 -0.427 4.743 1.00 0.00 C ATOM 1286 C TYR A 90 2.364 -1.779 4.926 1.00 0.00 C ATOM 1287 O TYR A 90 2.972 -2.721 5.434 1.00 0.00 O ATOM 1288 CB TYR A 90 2.112 0.628 4.142 1.00 0.00 C ATOM 1289 CG TYR A 90 1.659 1.631 5.179 1.00 0.00 C ATOM 1290 CD1 TYR A 90 0.813 1.260 6.217 1.00 0.00 C ATOM 1291 CD2 TYR A 90 2.111 2.937 5.143 1.00 0.00 C ATOM 1292 CE1 TYR A 90 0.425 2.168 7.183 1.00 0.00 C ATOM 1293 CE2 TYR A 90 1.737 3.850 6.106 1.00 0.00 C ATOM 1294 CZ TYR A 90 0.891 3.463 7.124 1.00 0.00 C ATOM 1295 OH TYR A 90 0.520 4.373 8.090 1.00 0.00 O ATOM 0 H TYR A 90 5.135 -0.362 4.512 1.00 0.00 H new ATOM 0 HA TYR A 90 3.334 -0.059 5.731 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.618 1.149 3.329 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.242 0.133 3.711 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.452 0.243 6.269 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.770 3.248 4.345 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.239 1.865 7.979 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.105 4.864 6.063 1.00 0.00 H new ATOM 0 HH TYR A 90 0.937 5.239 7.901 1.00 0.00 H new ATOM 1305 N GLU A 91 1.114 -1.883 4.507 1.00 0.00 N ATOM 1306 CA GLU A 91 0.312 -3.072 4.812 1.00 0.00 C ATOM 1307 C GLU A 91 0.362 -4.109 3.691 1.00 0.00 C ATOM 1308 O GLU A 91 -0.321 -5.130 3.757 1.00 0.00 O ATOM 1309 CB GLU A 91 -1.148 -2.681 5.047 1.00 0.00 C ATOM 1310 CG GLU A 91 -1.338 -1.278 5.586 1.00 0.00 C ATOM 1311 CD GLU A 91 -2.775 -0.997 5.960 1.00 0.00 C ATOM 1312 OE1 GLU A 91 -3.574 -0.677 5.057 1.00 0.00 O ATOM 1313 OE2 GLU A 91 -3.113 -1.104 7.158 1.00 0.00 O ATOM 0 H GLU A 91 0.630 -1.171 3.960 1.00 0.00 H new ATOM 0 HA GLU A 91 0.740 -3.515 5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.693 -2.774 4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.594 -3.389 5.745 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.703 -1.138 6.461 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.012 -0.556 4.837 1.00 0.00 H new ATOM 1320 N GLY A 92 1.157 -3.854 2.668 1.00 0.00 N ATOM 1321 CA GLY A 92 1.132 -4.709 1.497 1.00 0.00 C ATOM 1322 C GLY A 92 0.648 -3.943 0.293 1.00 0.00 C ATOM 1323 O GLY A 92 0.478 -4.502 -0.790 1.00 0.00 O ATOM 0 H GLY A 92 1.816 -3.077 2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.130 -5.104 1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.480 -5.564 1.678 1.00 0.00 H new ATOM 1327 N VAL A 93 0.410 -2.651 0.510 1.00 0.00 N ATOM 1328 CA VAL A 93 0.063 -1.731 -0.556 1.00 0.00 C ATOM 1329 C VAL A 93 1.150 -1.763 -1.622 1.00 0.00 C ATOM 1330 O VAL A 93 0.900 -1.566 -2.811 1.00 0.00 O ATOM 1331 CB VAL A 93 -0.077 -0.288 0.003 1.00 0.00 C ATOM 1332 CG1 VAL A 93 -0.617 0.649 -1.054 1.00 0.00 C ATOM 1333 CG2 VAL A 93 -0.946 -0.257 1.254 1.00 0.00 C ATOM 0 H VAL A 93 0.454 -2.218 1.433 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.889 -2.033 -0.992 1.00 0.00 H new ATOM 0 HB VAL A 93 0.918 0.055 0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.706 1.653 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.063 0.667 -1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.598 0.303 -1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.023 0.767 1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.941 -0.633 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.497 -0.884 2.025 1.00 0.00 H new ATOM 1343 N PHE A 94 2.365 -1.992 -1.153 1.00 0.00 N ATOM 1344 CA PHE A 94 3.507 -2.241 -1.998 1.00 0.00 C ATOM 1345 C PHE A 94 4.471 -3.170 -1.244 1.00 0.00 C ATOM 1346 O PHE A 94 4.409 -3.235 -0.023 1.00 0.00 O ATOM 1347 CB PHE A 94 4.207 -0.934 -2.488 1.00 0.00 C ATOM 1348 CG PHE A 94 3.980 0.401 -1.751 1.00 0.00 C ATOM 1349 CD1 PHE A 94 3.073 0.578 -0.708 1.00 0.00 C ATOM 1350 CD2 PHE A 94 4.716 1.509 -2.152 1.00 0.00 C ATOM 1351 CE1 PHE A 94 2.909 1.808 -0.096 1.00 0.00 C ATOM 1352 CE2 PHE A 94 4.553 2.741 -1.541 1.00 0.00 C ATOM 1353 CZ PHE A 94 3.647 2.889 -0.513 1.00 0.00 C ATOM 0 H PHE A 94 2.583 -2.009 -0.157 1.00 0.00 H new ATOM 0 HA PHE A 94 3.167 -2.727 -2.913 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.280 -1.124 -2.485 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.913 -0.782 -3.526 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.486 -0.263 -0.370 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.430 1.407 -2.956 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.200 1.918 0.711 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.137 3.588 -1.871 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.518 3.850 -0.038 1.00 0.00 H new ATOM 1363 N CYS A 95 5.314 -3.933 -1.946 1.00 0.00 N ATOM 1364 CA CYS A 95 6.240 -4.868 -1.275 1.00 0.00 C ATOM 1365 C CYS A 95 7.583 -4.933 -2.019 1.00 0.00 C ATOM 1366 O CYS A 95 7.663 -4.562 -3.189 1.00 0.00 O ATOM 1367 CB CYS A 95 5.637 -6.285 -1.185 1.00 0.00 C ATOM 1368 SG CYS A 95 3.820 -6.346 -0.991 1.00 0.00 S ATOM 0 H CYS A 95 5.379 -3.928 -2.964 1.00 0.00 H new ATOM 0 HA CYS A 95 6.405 -4.492 -0.265 1.00 0.00 H new ATOM 0 HB2 CYS A 95 5.909 -6.836 -2.085 1.00 0.00 H new ATOM 0 HB3 CYS A 95 6.094 -6.804 -0.343 1.00 0.00 H new ATOM 1373 N SER A 96 8.640 -5.400 -1.336 1.00 0.00 N ATOM 1374 CA SER A 96 9.977 -5.484 -1.944 1.00 0.00 C ATOM 1375 C SER A 96 10.469 -6.915 -1.979 1.00 0.00 C ATOM 1376 O SER A 96 10.596 -7.556 -0.937 1.00 0.00 O ATOM 1377 CB SER A 96 10.996 -4.667 -1.152 1.00 0.00 C ATOM 1378 OG SER A 96 12.190 -4.467 -1.888 1.00 0.00 O ATOM 0 H SER A 96 8.596 -5.723 -0.370 1.00 0.00 H new ATOM 0 HA SER A 96 9.884 -5.090 -2.956 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.564 -3.701 -0.889 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.226 -5.178 -0.217 1.00 0.00 H new ATOM 0 HG SER A 96 12.089 -3.684 -2.469 1.00 0.00 H new ATOM 1384 N SER A 97 10.778 -7.403 -3.165 1.00 0.00 N ATOM 1385 CA SER A 97 11.280 -8.758 -3.312 1.00 0.00 C ATOM 1386 C SER A 97 12.803 -8.759 -3.252 1.00 0.00 C ATOM 1387 O SER A 97 13.438 -9.801 -3.089 1.00 0.00 O ATOM 1388 CB SER A 97 10.804 -9.363 -4.636 1.00 0.00 C ATOM 1389 OG SER A 97 9.387 -9.404 -4.705 1.00 0.00 O ATOM 0 H SER A 97 10.691 -6.884 -4.039 1.00 0.00 H new ATOM 0 HA SER A 97 10.893 -9.365 -2.494 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.194 -8.776 -5.467 1.00 0.00 H new ATOM 0 HB3 SER A 97 11.205 -10.371 -4.742 1.00 0.00 H new ATOM 0 HG SER A 97 9.112 -9.793 -5.561 1.00 0.00 H new ATOM 1395 N SER A 98 13.375 -7.572 -3.349 1.00 0.00 N ATOM 1396 CA SER A 98 14.817 -7.407 -3.391 1.00 0.00 C ATOM 1397 C SER A 98 15.416 -7.398 -1.986 1.00 0.00 C ATOM 1398 O SER A 98 16.296 -6.594 -1.688 1.00 0.00 O ATOM 1399 CB SER A 98 15.151 -6.100 -4.108 1.00 0.00 C ATOM 1400 OG SER A 98 14.359 -5.957 -5.279 1.00 0.00 O ATOM 0 H SER A 98 12.854 -6.697 -3.401 1.00 0.00 H new ATOM 0 HA SER A 98 15.248 -8.250 -3.931 1.00 0.00 H new ATOM 0 HB2 SER A 98 14.977 -5.257 -3.439 1.00 0.00 H new ATOM 0 HB3 SER A 98 16.208 -6.084 -4.373 1.00 0.00 H new ATOM 0 HG SER A 98 14.584 -5.114 -5.725 1.00 0.00 H new ATOM 1406 N SER A 99 14.942 -8.295 -1.131 1.00 0.00 N ATOM 1407 CA SER A 99 15.434 -8.372 0.233 1.00 0.00 C ATOM 1408 C SER A 99 16.796 -9.069 0.267 1.00 0.00 C ATOM 1409 O SER A 99 16.895 -10.219 -0.227 1.00 0.00 O ATOM 1410 CB SER A 99 14.407 -9.072 1.142 1.00 0.00 C ATOM 1411 OG SER A 99 14.121 -10.391 0.703 1.00 0.00 O ATOM 1412 OXT SER A 99 17.764 -8.457 0.767 1.00 0.00 O ATOM 0 H SER A 99 14.219 -8.977 -1.360 1.00 0.00 H new ATOM 0 HA SER A 99 15.571 -7.362 0.618 1.00 0.00 H new ATOM 0 HB2 SER A 99 14.789 -9.104 2.163 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.486 -8.490 1.164 1.00 0.00 H new ATOM 0 HG SER A 99 13.384 -10.368 0.057 1.00 0.00 H new TER 1418 SER A 99