USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 794 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 NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 110 ZNZN :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 108 ZNZN :(H bumps) USER MOD NoAdj-H: A 71 HIS HD1 : A 71 HIS ND1 : A 110 ZNZN :(H bumps) USER MOD Set 1.1: A 82 GLN : amide:sc= 0 X(o=0,f=0.07) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 74 THR OG1 : rot -65:sc= 0.745 USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= 0.661 USER MOD Set 3.1: A 20 ASN : amide:sc= -0.0555 K(o=1.1,f=-0.022) USER MOD Set 3.2: A 44 LYS NZ :NH3+ -163:sc= 1.18 (180deg=0.919) USER MOD Single : A 8 LYS NZ :NH3+ 146:sc= 1.21 (180deg=0.437) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.723 K(o=0.72,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.98 K(o=0.98,f=-1.3) USER MOD Single : A 16 THR OG1 : rot 90:sc= 0.503 USER MOD Single : A 17 CYS SG : rot 62:sc= 0.234 USER MOD Single : A 22 SER OG : rot 140:sc= 0.208 USER MOD Single : A 26 ASN : amide:sc= 2.17 K(o=2.2,f=-6.9!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -47:sc= 0.112 USER MOD Single : A 35 LYS NZ :NH3+ -144:sc= 0.0752 (180deg=0) USER MOD Single : A 39 MET CE :methyl -146:sc= -0.0118 (180deg=-2.51) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 2.15 K(o=2.2,f=-0.12) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -116:sc= 0.123 (180deg=-0.0968) USER MOD Single : A 63 ASN : amide:sc= 0.187 X(o=0.19,f=-0.095) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot -24:sc= 0.0225 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 172:sc= 0 (180deg=-0.0988) USER MOD Single : A 86 MET CE :methyl -158:sc=-0.00622 (180deg=-0.333) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0.993 K(o=0.99,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 2 -1.115 14.937 -8.628 1.00 0.00 N ATOM 2 CA CYS A 2 -0.647 15.414 -9.919 1.00 0.00 C ATOM 3 C CYS A 2 0.769 14.898 -10.272 1.00 0.00 C ATOM 4 O CYS A 2 1.384 15.339 -11.249 1.00 0.00 O ATOM 5 CB CYS A 2 -0.849 16.958 -10.003 1.00 0.00 C ATOM 6 SG CYS A 2 -0.763 17.924 -8.428 1.00 0.00 S ATOM 0 HA CYS A 2 -1.255 14.983 -10.714 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -0.097 17.358 -10.683 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -1.822 17.145 -10.458 1.00 0.00 H new ATOM 11 N GLY A 3 1.295 13.963 -9.471 1.00 0.00 N ATOM 12 CA GLY A 3 2.634 13.364 -9.571 1.00 0.00 C ATOM 13 C GLY A 3 3.723 14.328 -9.094 1.00 0.00 C ATOM 14 O GLY A 3 4.676 13.907 -8.440 1.00 0.00 O ATOM 0 H GLY A 3 0.766 13.580 -8.688 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.670 12.452 -8.976 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.828 13.078 -10.605 1.00 0.00 H new ATOM 18 N ASP A 4 3.546 15.633 -9.313 1.00 0.00 N ATOM 19 CA ASP A 4 4.400 16.666 -8.722 1.00 0.00 C ATOM 20 C ASP A 4 4.223 16.682 -7.184 1.00 0.00 C ATOM 21 O ASP A 4 5.107 17.169 -6.474 1.00 0.00 O ATOM 22 CB ASP A 4 4.086 18.035 -9.341 1.00 0.00 C ATOM 23 CG ASP A 4 4.726 18.198 -10.730 1.00 0.00 C ATOM 24 OD1 ASP A 4 5.977 18.263 -10.816 1.00 0.00 O ATOM 25 OD2 ASP A 4 3.990 18.293 -11.742 1.00 0.00 O ATOM 0 H ASP A 4 2.804 16.004 -9.907 1.00 0.00 H new ATOM 0 HA ASP A 4 5.444 16.438 -8.938 1.00 0.00 H new ATOM 0 HB2 ASP A 4 3.006 18.157 -9.423 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.447 18.823 -8.680 1.00 0.00 H new ATOM 30 N CYS A 5 3.117 16.109 -6.678 1.00 0.00 N ATOM 31 CA CYS A 5 2.808 15.936 -5.261 1.00 0.00 C ATOM 32 C CYS A 5 3.832 15.041 -4.519 1.00 0.00 C ATOM 33 O CYS A 5 3.973 15.144 -3.299 1.00 0.00 O ATOM 34 CB CYS A 5 1.420 15.265 -5.091 1.00 0.00 C ATOM 35 SG CYS A 5 -0.016 16.188 -5.734 1.00 0.00 S ATOM 0 H CYS A 5 2.383 15.738 -7.282 1.00 0.00 H new ATOM 0 HA CYS A 5 2.833 16.938 -4.832 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.449 14.293 -5.583 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.259 15.080 -4.029 1.00 0.00 H new ATOM 40 N VAL A 6 4.519 14.129 -5.224 1.00 0.00 N ATOM 41 CA VAL A 6 5.442 13.138 -4.635 1.00 0.00 C ATOM 42 C VAL A 6 6.903 13.420 -5.033 1.00 0.00 C ATOM 43 O VAL A 6 7.190 13.745 -6.187 1.00 0.00 O ATOM 44 CB VAL A 6 5.016 11.691 -4.990 1.00 0.00 C ATOM 45 CG1 VAL A 6 3.559 11.418 -4.593 1.00 0.00 C ATOM 46 CG2 VAL A 6 5.148 11.279 -6.461 1.00 0.00 C ATOM 0 H VAL A 6 4.449 14.056 -6.239 1.00 0.00 H new ATOM 0 HA VAL A 6 5.383 13.235 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 6 5.730 11.100 -4.417 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.296 10.394 -4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.443 11.557 -3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.902 12.109 -5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.819 10.247 -6.581 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.529 11.931 -7.078 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.189 11.367 -6.771 1.00 0.00 H new ATOM 56 N GLU A 7 7.853 13.290 -4.100 1.00 0.00 N ATOM 57 CA GLU A 7 9.293 13.462 -4.370 1.00 0.00 C ATOM 58 C GLU A 7 9.796 12.390 -5.352 1.00 0.00 C ATOM 59 O GLU A 7 10.597 12.687 -6.242 1.00 0.00 O ATOM 60 CB GLU A 7 10.096 13.479 -3.059 1.00 0.00 C ATOM 61 CG GLU A 7 11.602 13.659 -3.286 1.00 0.00 C ATOM 62 CD GLU A 7 12.001 15.009 -3.916 1.00 0.00 C ATOM 63 OE1 GLU A 7 11.744 16.076 -3.310 1.00 0.00 O ATOM 64 OE2 GLU A 7 12.620 14.997 -5.007 1.00 0.00 O ATOM 0 H GLU A 7 7.647 13.061 -3.128 1.00 0.00 H new ATOM 0 HA GLU A 7 9.446 14.429 -4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.730 14.286 -2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.923 12.547 -2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 7 12.115 13.554 -2.330 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.958 12.854 -3.929 1.00 0.00 H new ATOM 71 N LYS A 8 9.308 11.152 -5.219 1.00 0.00 N ATOM 72 CA LYS A 8 9.612 10.015 -6.097 1.00 0.00 C ATOM 73 C LYS A 8 8.328 9.241 -6.389 1.00 0.00 C ATOM 74 O LYS A 8 7.479 9.086 -5.511 1.00 0.00 O ATOM 75 CB LYS A 8 10.663 9.098 -5.433 1.00 0.00 C ATOM 76 CG LYS A 8 12.044 9.754 -5.251 1.00 0.00 C ATOM 77 CD LYS A 8 12.812 9.988 -6.566 1.00 0.00 C ATOM 78 CE LYS A 8 13.903 11.055 -6.385 1.00 0.00 C ATOM 79 NZ LYS A 8 13.384 12.425 -6.643 1.00 0.00 N ATOM 0 H LYS A 8 8.665 10.904 -4.467 1.00 0.00 H new ATOM 0 HA LYS A 8 10.025 10.381 -7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.291 8.783 -4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.777 8.198 -6.037 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.915 10.710 -4.744 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.649 9.125 -4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.264 9.053 -6.898 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.118 10.301 -7.346 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.299 11.001 -5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.731 10.847 -7.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.863 13.102 -6.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.566 12.684 -7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.360 12.448 -6.461 1.00 0.00 H new ATOM 93 N GLU A 9 8.197 8.742 -7.614 1.00 0.00 N ATOM 94 CA GLU A 9 7.068 7.911 -8.047 1.00 0.00 C ATOM 95 C GLU A 9 7.296 6.463 -7.585 1.00 0.00 C ATOM 96 O GLU A 9 8.327 5.871 -7.914 1.00 0.00 O ATOM 97 CB GLU A 9 6.956 7.946 -9.584 1.00 0.00 C ATOM 98 CG GLU A 9 6.269 9.210 -10.117 1.00 0.00 C ATOM 99 CD GLU A 9 6.880 9.657 -11.458 1.00 0.00 C ATOM 100 OE1 GLU A 9 7.862 10.440 -11.452 1.00 0.00 O ATOM 101 OE2 GLU A 9 6.388 9.228 -12.531 1.00 0.00 O ATOM 0 H GLU A 9 8.883 8.904 -8.351 1.00 0.00 H new ATOM 0 HA GLU A 9 6.147 8.296 -7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.955 7.875 -10.015 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.401 7.070 -9.920 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.203 9.020 -10.246 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.364 10.013 -9.386 1.00 0.00 H new ATOM 108 N TYR A 10 6.343 5.892 -6.838 1.00 0.00 N ATOM 109 CA TYR A 10 6.404 4.518 -6.306 1.00 0.00 C ATOM 110 C TYR A 10 7.760 4.183 -5.645 1.00 0.00 C ATOM 111 O TYR A 10 8.459 3.259 -6.080 1.00 0.00 O ATOM 112 CB TYR A 10 5.979 3.491 -7.373 1.00 0.00 C ATOM 113 CG TYR A 10 4.615 3.710 -8.015 1.00 0.00 C ATOM 114 CD1 TYR A 10 4.426 4.745 -8.954 1.00 0.00 C ATOM 115 CD2 TYR A 10 3.531 2.875 -7.672 1.00 0.00 C ATOM 116 CE1 TYR A 10 3.160 4.973 -9.518 1.00 0.00 C ATOM 117 CE2 TYR A 10 2.255 3.110 -8.226 1.00 0.00 C ATOM 118 CZ TYR A 10 2.067 4.158 -9.154 1.00 0.00 C ATOM 119 OH TYR A 10 0.840 4.394 -9.694 1.00 0.00 O ATOM 0 H TYR A 10 5.486 6.381 -6.579 1.00 0.00 H new ATOM 0 HA TYR A 10 5.678 4.455 -5.495 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.731 3.486 -8.162 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.988 2.501 -6.917 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.261 5.367 -9.242 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.678 2.055 -6.985 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.023 5.773 -10.231 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.420 2.487 -7.940 1.00 0.00 H new ATOM 0 HH TYR A 10 0.197 3.744 -9.341 1.00 0.00 H new ATOM 129 N PRO A 11 8.158 4.926 -4.592 1.00 0.00 N ATOM 130 CA PRO A 11 9.427 4.718 -3.894 1.00 0.00 C ATOM 131 C PRO A 11 9.484 3.335 -3.236 1.00 0.00 C ATOM 132 O PRO A 11 8.466 2.838 -2.757 1.00 0.00 O ATOM 133 CB PRO A 11 9.475 5.827 -2.836 1.00 0.00 C ATOM 134 CG PRO A 11 8.008 6.123 -2.557 1.00 0.00 C ATOM 135 CD PRO A 11 7.409 6.004 -3.953 1.00 0.00 C ATOM 0 HA PRO A 11 10.276 4.757 -4.577 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.996 5.500 -1.936 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.999 6.709 -3.204 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.570 5.409 -1.859 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.863 7.116 -2.131 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.345 5.773 -3.908 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.509 6.937 -4.507 1.00 0.00 H new ATOM 143 N ASN A 12 10.652 2.698 -3.153 1.00 0.00 N ATOM 144 CA ASN A 12 10.754 1.426 -2.433 1.00 0.00 C ATOM 145 C ASN A 12 10.791 1.698 -0.916 1.00 0.00 C ATOM 146 O ASN A 12 11.334 2.712 -0.470 1.00 0.00 O ATOM 147 CB ASN A 12 11.989 0.646 -2.910 1.00 0.00 C ATOM 148 CG ASN A 12 11.940 0.267 -4.383 1.00 0.00 C ATOM 149 OD1 ASN A 12 12.831 0.585 -5.157 1.00 0.00 O ATOM 150 ND2 ASN A 12 10.905 -0.409 -4.833 1.00 0.00 N ATOM 0 H ASN A 12 11.524 3.031 -3.565 1.00 0.00 H new ATOM 0 HA ASN A 12 9.881 0.808 -2.643 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.880 1.247 -2.728 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.088 -0.261 -2.313 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.851 -0.663 -5.819 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.156 -0.679 -4.195 1.00 0.00 H new ATOM 157 N ARG A 13 10.194 0.797 -0.124 1.00 0.00 N ATOM 158 CA ARG A 13 10.032 0.946 1.340 1.00 0.00 C ATOM 159 C ARG A 13 10.714 -0.143 2.171 1.00 0.00 C ATOM 160 O ARG A 13 10.242 -0.491 3.254 1.00 0.00 O ATOM 161 CB ARG A 13 8.530 1.059 1.665 1.00 0.00 C ATOM 162 CG ARG A 13 7.799 2.201 0.950 1.00 0.00 C ATOM 163 CD ARG A 13 8.344 3.595 1.298 1.00 0.00 C ATOM 164 NE ARG A 13 8.236 3.887 2.744 1.00 0.00 N ATOM 165 CZ ARG A 13 7.132 4.139 3.429 1.00 0.00 C ATOM 166 NH1 ARG A 13 5.964 4.244 2.863 1.00 0.00 N ATOM 167 NH2 ARG A 13 7.183 4.274 4.723 1.00 0.00 N ATOM 0 H ARG A 13 9.801 -0.073 -0.483 1.00 0.00 H new ATOM 0 HA ARG A 13 10.551 1.860 1.630 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.045 0.118 1.405 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.415 1.191 2.741 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.873 2.050 -0.127 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.740 2.160 1.206 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.388 3.663 0.991 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.796 4.350 0.734 1.00 0.00 H new ATOM 0 HE ARG A 13 9.109 3.895 3.272 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.875 4.131 1.853 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.138 4.439 3.429 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.075 4.186 5.210 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.331 4.468 5.249 1.00 0.00 H new ATOM 181 N GLY A 14 11.798 -0.722 1.654 1.00 0.00 N ATOM 182 CA GLY A 14 12.542 -1.798 2.331 1.00 0.00 C ATOM 183 C GLY A 14 11.660 -3.006 2.679 1.00 0.00 C ATOM 184 O GLY A 14 11.816 -3.603 3.745 1.00 0.00 O ATOM 0 H GLY A 14 12.191 -0.460 0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.361 -2.125 1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.989 -1.405 3.244 1.00 0.00 H new ATOM 188 N ASN A 15 10.717 -3.318 1.779 1.00 0.00 N ATOM 189 CA ASN A 15 9.725 -4.402 1.819 1.00 0.00 C ATOM 190 C ASN A 15 8.444 -4.082 2.642 1.00 0.00 C ATOM 191 O ASN A 15 7.600 -4.961 2.822 1.00 0.00 O ATOM 192 CB ASN A 15 10.353 -5.755 2.230 1.00 0.00 C ATOM 193 CG ASN A 15 11.555 -6.252 1.435 1.00 0.00 C ATOM 194 OD1 ASN A 15 12.194 -5.558 0.655 1.00 0.00 O ATOM 195 ND2 ASN A 15 11.899 -7.506 1.622 1.00 0.00 N ATOM 0 H ASN A 15 10.620 -2.767 0.926 1.00 0.00 H new ATOM 0 HA ASN A 15 9.380 -4.494 0.789 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.650 -5.682 3.276 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.575 -6.516 2.172 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.695 -7.897 1.118 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.370 -8.089 2.271 1.00 0.00 H new ATOM 202 N THR A 16 8.254 -2.851 3.139 1.00 0.00 N ATOM 203 CA THR A 16 7.069 -2.465 3.941 1.00 0.00 C ATOM 204 C THR A 16 5.801 -2.401 3.078 1.00 0.00 C ATOM 205 O THR A 16 5.745 -1.591 2.155 1.00 0.00 O ATOM 206 CB THR A 16 7.312 -1.099 4.611 1.00 0.00 C ATOM 207 OG1 THR A 16 8.443 -1.158 5.456 1.00 0.00 O ATOM 208 CG2 THR A 16 6.144 -0.608 5.462 1.00 0.00 C ATOM 0 H THR A 16 8.916 -2.088 2.999 1.00 0.00 H new ATOM 0 HA THR A 16 6.919 -3.228 4.705 1.00 0.00 H new ATOM 0 HB THR A 16 7.453 -0.403 3.784 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.247 -0.930 4.943 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.393 0.359 5.899 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.256 -0.506 4.838 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.947 -1.326 6.258 1.00 0.00 H new ATOM 216 N CYS A 17 4.778 -3.219 3.368 1.00 0.00 N ATOM 217 CA CYS A 17 3.514 -3.275 2.620 1.00 0.00 C ATOM 218 C CYS A 17 2.322 -3.007 3.562 1.00 0.00 C ATOM 219 O CYS A 17 2.020 -3.831 4.427 1.00 0.00 O ATOM 220 CB CYS A 17 3.393 -4.652 1.948 1.00 0.00 C ATOM 221 SG CYS A 17 4.796 -4.989 0.844 1.00 0.00 S ATOM 0 H CYS A 17 4.808 -3.876 4.148 1.00 0.00 H new ATOM 0 HA CYS A 17 3.504 -2.503 1.850 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.338 -5.426 2.713 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.464 -4.699 1.380 1.00 0.00 H new ATOM 0 HG CYS A 17 5.897 -5.012 1.536 1.00 0.00 H new ATOM 227 N LEU A 18 1.671 -1.846 3.412 1.00 0.00 N ATOM 228 CA LEU A 18 0.578 -1.348 4.264 1.00 0.00 C ATOM 229 C LEU A 18 -0.732 -1.086 3.508 1.00 0.00 C ATOM 230 O LEU A 18 -0.748 -0.674 2.348 1.00 0.00 O ATOM 231 CB LEU A 18 1.048 -0.043 4.954 1.00 0.00 C ATOM 232 CG LEU A 18 1.745 -0.188 6.319 1.00 0.00 C ATOM 233 CD1 LEU A 18 2.828 -1.260 6.371 1.00 0.00 C ATOM 234 CD2 LEU A 18 2.376 1.151 6.707 1.00 0.00 C ATOM 0 H LEU A 18 1.901 -1.197 2.659 1.00 0.00 H new ATOM 0 HA LEU A 18 0.355 -2.130 4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.731 0.471 4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.180 0.604 5.083 1.00 0.00 H new ATOM 0 HG LEU A 18 0.966 -0.498 7.016 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.263 -1.290 7.370 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.391 -2.231 6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.606 -1.027 5.644 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.871 1.054 7.673 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.107 1.441 5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.600 1.914 6.772 1.00 0.00 H new ATOM 246 N GLU A 19 -1.834 -1.278 4.233 1.00 0.00 N ATOM 247 CA GLU A 19 -3.223 -1.038 3.822 1.00 0.00 C ATOM 248 C GLU A 19 -3.792 0.286 4.377 1.00 0.00 C ATOM 249 O GLU A 19 -4.966 0.586 4.151 1.00 0.00 O ATOM 250 CB GLU A 19 -4.108 -2.216 4.287 1.00 0.00 C ATOM 251 CG GLU A 19 -4.408 -2.333 5.792 1.00 0.00 C ATOM 252 CD GLU A 19 -3.191 -2.760 6.640 1.00 0.00 C ATOM 253 OE1 GLU A 19 -2.319 -1.905 6.923 1.00 0.00 O ATOM 254 OE2 GLU A 19 -3.110 -3.947 7.038 1.00 0.00 O ATOM 0 H GLU A 19 -1.779 -1.629 5.189 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.228 -0.959 2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.059 -2.150 3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.630 -3.142 3.967 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.773 -1.372 6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.211 -3.055 5.937 1.00 0.00 H new ATOM 261 N ASN A 20 -2.996 1.058 5.128 1.00 0.00 N ATOM 262 CA ASN A 20 -3.400 2.314 5.778 1.00 0.00 C ATOM 263 C ASN A 20 -2.304 3.401 5.738 1.00 0.00 C ATOM 264 O ASN A 20 -1.111 3.102 5.626 1.00 0.00 O ATOM 265 CB ASN A 20 -3.740 2.017 7.257 1.00 0.00 C ATOM 266 CG ASN A 20 -5.055 1.287 7.476 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.091 1.642 6.933 1.00 0.00 O ATOM 268 ND2 ASN A 20 -5.070 0.267 8.302 1.00 0.00 N ATOM 0 H ASN A 20 -2.021 0.819 5.306 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.259 2.699 5.229 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.935 1.422 7.688 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.768 2.959 7.805 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.944 -0.226 8.488 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.208 -0.033 8.758 1.00 0.00 H new ATOM 275 N GLY A 21 -2.722 4.662 5.911 1.00 0.00 N ATOM 276 CA GLY A 21 -1.848 5.840 6.009 1.00 0.00 C ATOM 277 C GLY A 21 -1.589 6.595 4.697 1.00 0.00 C ATOM 278 O GLY A 21 -2.158 6.280 3.650 1.00 0.00 O ATOM 0 H GLY A 21 -3.711 4.899 5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.287 6.535 6.725 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.889 5.523 6.419 1.00 0.00 H new ATOM 282 N SER A 22 -0.715 7.602 4.793 1.00 0.00 N ATOM 283 CA SER A 22 -0.232 8.486 3.715 1.00 0.00 C ATOM 284 C SER A 22 1.229 8.854 4.004 1.00 0.00 C ATOM 285 O SER A 22 1.537 9.352 5.090 1.00 0.00 O ATOM 286 CB SER A 22 -1.059 9.777 3.643 1.00 0.00 C ATOM 287 OG SER A 22 -2.369 9.533 3.152 1.00 0.00 O ATOM 0 H SER A 22 -0.293 7.842 5.690 1.00 0.00 H new ATOM 0 HA SER A 22 -0.326 7.961 2.764 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.119 10.227 4.634 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.556 10.496 2.997 1.00 0.00 H new ATOM 0 HG SER A 22 -3.013 10.073 3.656 1.00 0.00 H new ATOM 293 N PHE A 23 2.148 8.574 3.077 1.00 0.00 N ATOM 294 CA PHE A 23 3.595 8.770 3.259 1.00 0.00 C ATOM 295 C PHE A 23 4.082 10.227 3.183 1.00 0.00 C ATOM 296 O PHE A 23 4.659 10.673 2.190 1.00 0.00 O ATOM 297 CB PHE A 23 4.340 7.829 2.306 1.00 0.00 C ATOM 298 CG PHE A 23 5.837 7.647 2.520 1.00 0.00 C ATOM 299 CD1 PHE A 23 6.427 7.761 3.797 1.00 0.00 C ATOM 300 CD2 PHE A 23 6.643 7.285 1.425 1.00 0.00 C ATOM 301 CE1 PHE A 23 7.806 7.537 3.960 1.00 0.00 C ATOM 302 CE2 PHE A 23 8.026 7.086 1.584 1.00 0.00 C ATOM 303 CZ PHE A 23 8.613 7.238 2.851 1.00 0.00 C ATOM 0 H PHE A 23 1.907 8.197 2.160 1.00 0.00 H new ATOM 0 HA PHE A 23 3.830 8.510 4.291 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.870 6.847 2.368 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.188 8.191 1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.819 8.021 4.651 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.194 7.158 0.451 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.247 7.595 4.944 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.635 6.817 0.734 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.680 7.125 2.971 1.00 0.00 H new ATOM 313 N LEU A 24 3.853 10.987 4.256 1.00 0.00 N ATOM 314 CA LEU A 24 4.205 12.408 4.375 1.00 0.00 C ATOM 315 C LEU A 24 5.669 12.757 4.035 1.00 0.00 C ATOM 316 O LEU A 24 5.946 13.854 3.549 1.00 0.00 O ATOM 317 CB LEU A 24 3.841 12.921 5.780 1.00 0.00 C ATOM 318 CG LEU A 24 2.390 12.684 6.246 1.00 0.00 C ATOM 319 CD1 LEU A 24 2.146 13.426 7.560 1.00 0.00 C ATOM 320 CD2 LEU A 24 1.345 13.150 5.231 1.00 0.00 C ATOM 0 H LEU A 24 3.403 10.621 5.095 1.00 0.00 H new ATOM 0 HA LEU A 24 3.615 12.917 3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.511 12.450 6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.039 13.992 5.814 1.00 0.00 H new ATOM 0 HG LEU A 24 2.278 11.607 6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.120 13.258 7.888 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.835 13.057 8.320 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.308 14.493 7.411 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.346 12.954 5.621 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.462 14.219 5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.481 12.609 4.294 1.00 0.00 H new ATOM 332 N LEU A 25 6.604 11.825 4.254 1.00 0.00 N ATOM 333 CA LEU A 25 8.029 11.984 3.919 1.00 0.00 C ATOM 334 C LEU A 25 8.301 11.973 2.399 1.00 0.00 C ATOM 335 O LEU A 25 9.338 12.487 1.972 1.00 0.00 O ATOM 336 CB LEU A 25 8.848 10.900 4.644 1.00 0.00 C ATOM 337 CG LEU A 25 9.045 11.150 6.152 1.00 0.00 C ATOM 338 CD1 LEU A 25 9.706 9.931 6.797 1.00 0.00 C ATOM 339 CD2 LEU A 25 9.934 12.365 6.437 1.00 0.00 C ATOM 0 H LEU A 25 6.390 10.922 4.677 1.00 0.00 H new ATOM 0 HA LEU A 25 8.342 12.970 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.353 9.938 4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.827 10.824 4.170 1.00 0.00 H new ATOM 0 HG LEU A 25 8.054 11.336 6.567 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.843 10.113 7.863 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.071 9.056 6.657 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.676 9.754 6.332 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.039 12.494 7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.917 12.209 5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.479 13.257 6.007 1.00 0.00 H new ATOM 351 N ASN A 26 7.376 11.458 1.578 1.00 0.00 N ATOM 352 CA ASN A 26 7.461 11.496 0.112 1.00 0.00 C ATOM 353 C ASN A 26 6.539 12.585 -0.448 1.00 0.00 C ATOM 354 O ASN A 26 6.873 13.216 -1.447 1.00 0.00 O ATOM 355 CB ASN A 26 7.115 10.123 -0.478 1.00 0.00 C ATOM 356 CG ASN A 26 7.361 10.051 -1.984 1.00 0.00 C ATOM 357 OD1 ASN A 26 8.243 10.686 -2.535 1.00 0.00 O ATOM 358 ND2 ASN A 26 6.612 9.271 -2.718 1.00 0.00 N ATOM 0 H ASN A 26 6.534 10.996 1.920 1.00 0.00 H new ATOM 0 HA ASN A 26 8.484 11.739 -0.175 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.710 9.357 0.020 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.068 9.897 -0.273 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.774 9.207 -3.723 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.865 8.727 -2.286 1.00 0.00 H new ATOM 365 N PHE A 27 5.400 12.838 0.200 1.00 0.00 N ATOM 366 CA PHE A 27 4.492 13.921 -0.191 1.00 0.00 C ATOM 367 C PHE A 27 5.172 15.275 0.038 1.00 0.00 C ATOM 368 O PHE A 27 5.363 15.706 1.178 1.00 0.00 O ATOM 369 CB PHE A 27 3.169 13.846 0.575 1.00 0.00 C ATOM 370 CG PHE A 27 2.140 14.907 0.194 1.00 0.00 C ATOM 371 CD1 PHE A 27 1.677 15.020 -1.133 1.00 0.00 C ATOM 372 CD2 PHE A 27 1.608 15.759 1.181 1.00 0.00 C ATOM 373 CE1 PHE A 27 0.662 15.942 -1.469 1.00 0.00 C ATOM 374 CE2 PHE A 27 0.598 16.680 0.849 1.00 0.00 C ATOM 375 CZ PHE A 27 0.112 16.758 -0.467 1.00 0.00 C ATOM 0 H PHE A 27 5.081 12.302 1.007 1.00 0.00 H new ATOM 0 HA PHE A 27 4.262 13.810 -1.251 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.729 12.862 0.415 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.379 13.932 1.641 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.104 14.393 -1.902 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.976 15.705 2.195 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.312 16.019 -2.488 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.194 17.331 1.610 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.685 17.446 -0.708 1.00 0.00 H new ATOM 385 N THR A 28 5.520 15.970 -1.039 1.00 0.00 N ATOM 386 CA THR A 28 6.163 17.302 -0.998 1.00 0.00 C ATOM 387 C THR A 28 5.134 18.439 -0.963 1.00 0.00 C ATOM 388 O THR A 28 5.496 19.619 -0.975 1.00 0.00 O ATOM 389 CB THR A 28 7.106 17.503 -2.197 1.00 0.00 C ATOM 390 OG1 THR A 28 6.431 17.277 -3.413 1.00 0.00 O ATOM 391 CG2 THR A 28 8.286 16.537 -2.143 1.00 0.00 C ATOM 0 H THR A 28 5.366 15.628 -1.987 1.00 0.00 H new ATOM 0 HA THR A 28 6.742 17.335 -0.075 1.00 0.00 H new ATOM 0 HB THR A 28 7.461 18.532 -2.143 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.050 17.412 -4.161 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.933 16.705 -3.004 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.851 16.704 -1.226 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.918 15.511 -2.160 1.00 0.00 H new ATOM 399 N GLY A 29 3.847 18.085 -0.931 1.00 0.00 N ATOM 400 CA GLY A 29 2.710 18.991 -0.997 1.00 0.00 C ATOM 401 C GLY A 29 2.191 19.055 -2.439 1.00 0.00 C ATOM 402 O GLY A 29 2.965 18.874 -3.384 1.00 0.00 O ATOM 0 H GLY A 29 3.561 17.109 -0.854 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.919 18.649 -0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.003 19.985 -0.660 1.00 0.00 H new ATOM 406 N CYS A 30 0.892 19.304 -2.591 1.00 0.00 N ATOM 407 CA CYS A 30 0.182 19.354 -3.862 1.00 0.00 C ATOM 408 C CYS A 30 0.807 20.296 -4.897 1.00 0.00 C ATOM 409 O CYS A 30 1.644 21.156 -4.595 1.00 0.00 O ATOM 410 CB CYS A 30 -1.289 19.734 -3.587 1.00 0.00 C ATOM 411 SG CYS A 30 -2.416 19.266 -4.962 1.00 0.00 S ATOM 0 H CYS A 30 0.281 19.484 -1.795 1.00 0.00 H new ATOM 0 HA CYS A 30 0.251 18.364 -4.312 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.620 19.246 -2.670 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.356 20.809 -3.418 1.00 0.00 H new ATOM 416 N ALA A 31 0.318 20.182 -6.122 1.00 0.00 N ATOM 417 CA ALA A 31 0.633 21.085 -7.217 1.00 0.00 C ATOM 418 C ALA A 31 -0.633 21.663 -7.879 1.00 0.00 C ATOM 419 O ALA A 31 -0.519 22.656 -8.609 1.00 0.00 O ATOM 420 CB ALA A 31 1.609 20.453 -8.210 1.00 0.00 C ATOM 0 H ALA A 31 -0.327 19.438 -6.389 1.00 0.00 H new ATOM 0 HA ALA A 31 1.154 21.944 -6.793 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.819 21.159 -9.013 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.537 20.200 -7.697 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.168 19.549 -8.628 1.00 0.00 H new ATOM 426 N VAL A 32 -1.834 21.143 -7.583 1.00 0.00 N ATOM 427 CA VAL A 32 -3.091 21.753 -8.038 1.00 0.00 C ATOM 428 C VAL A 32 -3.361 23.023 -7.212 1.00 0.00 C ATOM 429 O VAL A 32 -3.856 24.012 -7.764 1.00 0.00 O ATOM 430 CB VAL A 32 -4.288 20.768 -7.972 1.00 0.00 C ATOM 431 CG1 VAL A 32 -5.671 21.429 -8.117 1.00 0.00 C ATOM 432 CG2 VAL A 32 -4.223 19.732 -9.103 1.00 0.00 C ATOM 0 H VAL A 32 -1.960 20.297 -7.027 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.983 22.019 -9.090 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.192 20.326 -6.980 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.447 20.666 -8.059 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.814 22.153 -7.315 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.733 21.936 -9.080 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.076 19.057 -9.028 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.248 20.242 -10.066 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.299 19.160 -9.019 1.00 0.00 H new ATOM 442 N CYS A 33 -3.003 23.019 -5.920 1.00 0.00 N ATOM 443 CA CYS A 33 -3.197 24.119 -4.971 1.00 0.00 C ATOM 444 C CYS A 33 -1.964 24.516 -4.117 1.00 0.00 C ATOM 445 O CYS A 33 -1.952 25.618 -3.552 1.00 0.00 O ATOM 446 CB CYS A 33 -4.343 23.726 -4.040 1.00 0.00 C ATOM 447 SG CYS A 33 -3.839 22.328 -2.981 1.00 0.00 S ATOM 0 H CYS A 33 -2.550 22.212 -5.491 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.405 25.003 -5.573 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.627 24.577 -3.421 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.220 23.451 -4.626 1.00 0.00 H new ATOM 452 N SER A 34 -0.935 23.659 -4.031 1.00 0.00 N ATOM 453 CA SER A 34 0.322 23.864 -3.276 1.00 0.00 C ATOM 454 C SER A 34 0.277 23.553 -1.757 1.00 0.00 C ATOM 455 O SER A 34 1.197 23.951 -1.032 1.00 0.00 O ATOM 456 CB SER A 34 0.939 25.248 -3.570 1.00 0.00 C ATOM 457 OG SER A 34 2.349 25.245 -3.394 1.00 0.00 O ATOM 0 H SER A 34 -0.953 22.758 -4.508 1.00 0.00 H new ATOM 0 HA SER A 34 0.985 23.090 -3.663 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.701 25.542 -4.592 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.492 25.993 -2.911 1.00 0.00 H new ATOM 0 HG SER A 34 2.572 24.804 -2.547 1.00 0.00 H new ATOM 463 N LYS A 35 -0.742 22.855 -1.228 1.00 0.00 N ATOM 464 CA LYS A 35 -0.844 22.518 0.217 1.00 0.00 C ATOM 465 C LYS A 35 -0.045 21.263 0.608 1.00 0.00 C ATOM 466 O LYS A 35 -0.004 20.292 -0.142 1.00 0.00 O ATOM 467 CB LYS A 35 -2.321 22.304 0.588 1.00 0.00 C ATOM 468 CG LYS A 35 -3.078 23.636 0.733 1.00 0.00 C ATOM 469 CD LYS A 35 -3.576 23.835 2.166 1.00 0.00 C ATOM 470 CE LYS A 35 -4.179 25.236 2.325 1.00 0.00 C ATOM 471 NZ LYS A 35 -4.586 25.504 3.729 1.00 0.00 N ATOM 0 H LYS A 35 -1.522 22.505 -1.784 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.415 23.357 0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.802 21.695 -0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.383 21.748 1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.423 24.462 0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.924 23.654 0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.324 23.079 2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.752 23.704 2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.451 25.983 2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.044 25.336 1.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.454 26.077 3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.762 24.603 4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.827 26.020 4.218 1.00 0.00 H new ATOM 485 N ARG A 36 0.526 21.243 1.821 1.00 0.00 N ATOM 486 CA ARG A 36 1.247 20.093 2.419 1.00 0.00 C ATOM 487 C ARG A 36 0.548 19.650 3.716 1.00 0.00 C ATOM 488 O ARG A 36 -0.241 20.413 4.264 1.00 0.00 O ATOM 489 CB ARG A 36 2.737 20.415 2.600 1.00 0.00 C ATOM 490 CG ARG A 36 3.541 19.128 2.861 1.00 0.00 C ATOM 491 CD ARG A 36 5.028 19.318 2.598 1.00 0.00 C ATOM 492 NE ARG A 36 5.736 18.028 2.723 1.00 0.00 N ATOM 493 CZ ARG A 36 6.845 17.750 3.380 1.00 0.00 C ATOM 494 NH1 ARG A 36 7.557 18.663 3.979 1.00 0.00 N ATOM 495 NH2 ARG A 36 7.258 16.517 3.441 1.00 0.00 N ATOM 0 H ARG A 36 0.502 22.053 2.441 1.00 0.00 H new ATOM 0 HA ARG A 36 1.210 19.242 1.738 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.118 20.914 1.709 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.867 21.107 3.432 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.394 18.812 3.894 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.160 18.328 2.226 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.179 19.729 1.600 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.441 20.038 3.305 1.00 0.00 H new ATOM 0 HE ARG A 36 5.308 17.243 2.233 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.263 19.639 3.951 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.409 18.401 4.476 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.725 15.777 2.983 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.114 16.290 3.946 1.00 0.00 H new ATOM 509 N ASP A 37 0.799 18.419 4.182 1.00 0.00 N ATOM 510 CA ASP A 37 0.167 17.780 5.363 1.00 0.00 C ATOM 511 C ASP A 37 -1.379 17.800 5.369 1.00 0.00 C ATOM 512 O ASP A 37 -2.047 17.750 6.403 1.00 0.00 O ATOM 513 CB ASP A 37 0.822 18.228 6.677 1.00 0.00 C ATOM 514 CG ASP A 37 0.651 19.709 7.073 1.00 0.00 C ATOM 515 OD1 ASP A 37 -0.356 20.064 7.731 1.00 0.00 O ATOM 516 OD2 ASP A 37 1.586 20.506 6.817 1.00 0.00 O ATOM 0 H ASP A 37 1.478 17.806 3.731 1.00 0.00 H new ATOM 0 HA ASP A 37 0.380 16.715 5.270 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.421 17.613 7.483 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.889 18.015 6.614 1.00 0.00 H new ATOM 521 N PHE A 38 -1.933 17.851 4.161 1.00 0.00 N ATOM 522 CA PHE A 38 -3.347 17.927 3.808 1.00 0.00 C ATOM 523 C PHE A 38 -3.762 16.758 2.910 1.00 0.00 C ATOM 524 O PHE A 38 -3.575 16.790 1.696 1.00 0.00 O ATOM 525 CB PHE A 38 -3.656 19.279 3.141 1.00 0.00 C ATOM 526 CG PHE A 38 -4.071 20.398 4.083 1.00 0.00 C ATOM 527 CD1 PHE A 38 -3.299 20.761 5.203 1.00 0.00 C ATOM 528 CD2 PHE A 38 -5.282 21.075 3.836 1.00 0.00 C ATOM 529 CE1 PHE A 38 -3.717 21.812 6.041 1.00 0.00 C ATOM 530 CE2 PHE A 38 -5.696 22.131 4.665 1.00 0.00 C ATOM 531 CZ PHE A 38 -4.913 22.500 5.772 1.00 0.00 C ATOM 0 H PHE A 38 -1.348 17.839 3.326 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.933 17.853 4.724 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.773 19.602 2.589 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.451 19.130 2.411 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.383 20.231 5.420 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.899 20.779 3.000 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.116 22.091 6.894 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.614 22.658 4.452 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.229 23.309 6.414 1.00 0.00 H new ATOM 541 N MET A 39 -4.367 15.734 3.514 1.00 0.00 N ATOM 542 CA MET A 39 -4.888 14.567 2.786 1.00 0.00 C ATOM 543 C MET A 39 -5.945 13.746 3.537 1.00 0.00 C ATOM 544 O MET A 39 -5.943 13.642 4.765 1.00 0.00 O ATOM 545 CB MET A 39 -3.771 13.631 2.282 1.00 0.00 C ATOM 546 CG MET A 39 -2.667 13.332 3.308 1.00 0.00 C ATOM 547 SD MET A 39 -1.030 13.995 2.903 1.00 0.00 S ATOM 548 CE MET A 39 -0.679 13.066 1.382 1.00 0.00 C ATOM 0 H MET A 39 -4.512 15.687 4.523 1.00 0.00 H new ATOM 0 HA MET A 39 -5.394 15.019 1.933 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.220 12.689 1.968 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.315 14.077 1.398 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.974 13.733 4.274 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.584 12.251 3.423 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.389 12.857 1.321 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.232 12.127 1.393 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.983 13.656 0.517 1.00 0.00 H new ATOM 558 N LEU A 40 -6.815 13.139 2.731 1.00 0.00 N ATOM 559 CA LEU A 40 -7.945 12.252 3.021 1.00 0.00 C ATOM 560 C LEU A 40 -7.806 10.962 2.188 1.00 0.00 C ATOM 561 O LEU A 40 -7.060 10.918 1.207 1.00 0.00 O ATOM 562 CB LEU A 40 -9.252 12.990 2.629 1.00 0.00 C ATOM 563 CG LEU A 40 -9.965 13.856 3.685 1.00 0.00 C ATOM 564 CD1 LEU A 40 -10.981 13.023 4.471 1.00 0.00 C ATOM 565 CD2 LEU A 40 -9.054 14.508 4.709 1.00 0.00 C ATOM 0 H LEU A 40 -6.733 13.276 1.724 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.965 11.991 4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.026 13.630 1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.963 12.239 2.284 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.432 14.647 3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.473 13.653 5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.726 12.617 3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.468 12.204 4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.652 15.095 5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.511 13.737 5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.344 15.161 4.201 1.00 0.00 H new ATOM 577 N ILE A 41 -8.573 9.930 2.546 1.00 0.00 N ATOM 578 CA ILE A 41 -8.663 8.641 1.847 1.00 0.00 C ATOM 579 C ILE A 41 -10.149 8.381 1.584 1.00 0.00 C ATOM 580 O ILE A 41 -10.983 8.551 2.479 1.00 0.00 O ATOM 581 CB ILE A 41 -8.022 7.512 2.689 1.00 0.00 C ATOM 582 CG1 ILE A 41 -6.486 7.696 2.748 1.00 0.00 C ATOM 583 CG2 ILE A 41 -8.386 6.111 2.139 1.00 0.00 C ATOM 584 CD1 ILE A 41 -5.787 6.799 3.778 1.00 0.00 C ATOM 0 H ILE A 41 -9.176 9.969 3.368 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.114 8.665 0.906 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.424 7.578 3.700 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.068 7.493 1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.264 8.738 2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.917 5.345 2.757 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.468 5.982 2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.029 6.019 1.113 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.714 6.989 3.757 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.174 7.017 4.773 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.975 5.753 3.537 1.00 0.00 H new ATOM 596 N THR A 42 -10.483 7.964 0.364 1.00 0.00 N ATOM 597 CA THR A 42 -11.863 7.647 -0.036 1.00 0.00 C ATOM 598 C THR A 42 -11.910 6.517 -1.068 1.00 0.00 C ATOM 599 O THR A 42 -10.868 6.086 -1.568 1.00 0.00 O ATOM 600 CB THR A 42 -12.602 8.911 -0.524 1.00 0.00 C ATOM 601 OG1 THR A 42 -13.975 8.760 -0.235 1.00 0.00 O ATOM 602 CG2 THR A 42 -12.490 9.180 -2.027 1.00 0.00 C ATOM 0 H THR A 42 -9.802 7.834 -0.384 1.00 0.00 H new ATOM 0 HA THR A 42 -12.389 7.283 0.846 1.00 0.00 H new ATOM 0 HB THR A 42 -12.132 9.749 -0.009 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.462 9.555 -0.536 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.040 10.087 -2.276 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.441 9.306 -2.297 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.909 8.339 -2.579 1.00 0.00 H new ATOM 610 N ASN A 43 -13.115 6.043 -1.394 1.00 0.00 N ATOM 611 CA ASN A 43 -13.423 4.980 -2.371 1.00 0.00 C ATOM 612 C ASN A 43 -12.740 3.618 -2.090 1.00 0.00 C ATOM 613 O ASN A 43 -12.678 2.743 -2.956 1.00 0.00 O ATOM 614 CB ASN A 43 -13.298 5.551 -3.810 1.00 0.00 C ATOM 615 CG ASN A 43 -12.136 5.058 -4.665 1.00 0.00 C ATOM 616 OD1 ASN A 43 -12.316 4.520 -5.750 1.00 0.00 O ATOM 617 ND2 ASN A 43 -10.920 5.254 -4.223 1.00 0.00 N ATOM 0 H ASN A 43 -13.960 6.411 -0.958 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.465 4.682 -2.252 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.224 5.330 -4.341 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.224 6.636 -3.736 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.120 4.958 -4.783 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.772 5.702 -3.319 1.00 0.00 H new ATOM 624 N LYS A 44 -12.231 3.445 -0.861 1.00 0.00 N ATOM 625 CA LYS A 44 -11.517 2.267 -0.360 1.00 0.00 C ATOM 626 C LYS A 44 -12.296 0.963 -0.534 1.00 0.00 C ATOM 627 O LYS A 44 -13.322 0.745 0.117 1.00 0.00 O ATOM 628 CB LYS A 44 -11.152 2.504 1.111 1.00 0.00 C ATOM 629 CG LYS A 44 -10.113 1.490 1.619 1.00 0.00 C ATOM 630 CD LYS A 44 -9.491 1.930 2.947 1.00 0.00 C ATOM 631 CE LYS A 44 -8.267 1.065 3.262 1.00 0.00 C ATOM 632 NZ LYS A 44 -7.554 1.567 4.459 1.00 0.00 N ATOM 0 H LYS A 44 -12.313 4.170 -0.149 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.615 2.142 -0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.760 3.514 1.229 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.052 2.438 1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.587 0.516 1.744 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.328 1.369 0.872 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.201 2.979 2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.225 1.843 3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.579 0.034 3.427 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.591 1.061 2.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.596 1.163 4.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.491 2.604 4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.073 1.287 5.315 1.00 0.00 H new ATOM 646 N SER A 45 -11.774 0.101 -1.395 1.00 0.00 N ATOM 647 CA SER A 45 -12.300 -1.231 -1.679 1.00 0.00 C ATOM 648 C SER A 45 -11.425 -2.338 -1.090 1.00 0.00 C ATOM 649 O SER A 45 -10.220 -2.172 -0.886 1.00 0.00 O ATOM 650 CB SER A 45 -12.451 -1.423 -3.194 1.00 0.00 C ATOM 651 OG SER A 45 -13.545 -0.660 -3.682 1.00 0.00 O ATOM 0 H SER A 45 -10.938 0.317 -1.938 1.00 0.00 H new ATOM 0 HA SER A 45 -13.277 -1.305 -1.202 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.534 -1.120 -3.699 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.605 -2.478 -3.420 1.00 0.00 H new ATOM 0 HG SER A 45 -13.629 -0.790 -4.650 1.00 0.00 H new ATOM 657 N LEU A 46 -12.045 -3.496 -0.863 1.00 0.00 N ATOM 658 CA LEU A 46 -11.418 -4.712 -0.354 1.00 0.00 C ATOM 659 C LEU A 46 -11.963 -5.930 -1.110 1.00 0.00 C ATOM 660 O LEU A 46 -13.165 -6.025 -1.379 1.00 0.00 O ATOM 661 CB LEU A 46 -11.605 -4.811 1.173 1.00 0.00 C ATOM 662 CG LEU A 46 -11.164 -6.169 1.777 1.00 0.00 C ATOM 663 CD1 LEU A 46 -10.556 -5.966 3.166 1.00 0.00 C ATOM 664 CD2 LEU A 46 -12.324 -7.158 1.938 1.00 0.00 C ATOM 0 H LEU A 46 -13.043 -3.615 -1.037 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.343 -4.682 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.038 -4.012 1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.655 -4.643 1.411 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.438 -6.579 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.252 -6.930 3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.686 -5.313 3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.296 -5.510 3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.952 -8.089 2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.077 -6.731 2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.769 -7.359 0.963 1.00 0.00 H new ATOM 676 N LYS A 47 -11.063 -6.852 -1.458 1.00 0.00 N ATOM 677 CA LYS A 47 -11.326 -8.085 -2.206 1.00 0.00 C ATOM 678 C LYS A 47 -10.681 -9.284 -1.530 1.00 0.00 C ATOM 679 O LYS A 47 -9.614 -9.153 -0.941 1.00 0.00 O ATOM 680 CB LYS A 47 -10.797 -7.945 -3.640 1.00 0.00 C ATOM 681 CG LYS A 47 -11.747 -8.556 -4.674 1.00 0.00 C ATOM 682 CD LYS A 47 -11.221 -8.468 -6.115 1.00 0.00 C ATOM 683 CE LYS A 47 -11.138 -7.019 -6.616 1.00 0.00 C ATOM 684 NZ LYS A 47 -10.725 -6.958 -8.043 1.00 0.00 N ATOM 0 H LYS A 47 -10.078 -6.754 -1.213 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.403 -8.248 -2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.646 -6.890 -3.868 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.823 -8.429 -3.714 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.921 -9.602 -4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.710 -8.049 -4.615 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.233 -8.926 -6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.874 -9.041 -6.774 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.107 -6.535 -6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.426 -6.462 -6.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.679 -5.965 -8.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.789 -7.398 -8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.418 -7.468 -8.627 1.00 0.00 H new ATOM 698 N GLU A 48 -11.306 -10.450 -1.617 1.00 0.00 N ATOM 699 CA GLU A 48 -10.721 -11.682 -1.066 1.00 0.00 C ATOM 700 C GLU A 48 -10.939 -12.873 -2.018 1.00 0.00 C ATOM 701 O GLU A 48 -12.073 -13.293 -2.257 1.00 0.00 O ATOM 702 CB GLU A 48 -11.350 -11.985 0.307 1.00 0.00 C ATOM 703 CG GLU A 48 -11.135 -10.906 1.375 1.00 0.00 C ATOM 704 CD GLU A 48 -11.758 -11.348 2.713 1.00 0.00 C ATOM 705 OE1 GLU A 48 -11.106 -12.100 3.478 1.00 0.00 O ATOM 706 OE2 GLU A 48 -12.917 -10.962 3.006 1.00 0.00 O ATOM 0 H GLU A 48 -12.216 -10.577 -2.061 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.647 -11.532 -0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.422 -12.133 0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.942 -12.926 0.676 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.069 -10.721 1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.584 -9.968 1.049 1.00 0.00 H new ATOM 713 N GLU A 49 -9.847 -13.440 -2.543 1.00 0.00 N ATOM 714 CA GLU A 49 -9.837 -14.648 -3.385 1.00 0.00 C ATOM 715 C GLU A 49 -9.034 -15.804 -2.774 1.00 0.00 C ATOM 716 O GLU A 49 -7.821 -15.693 -2.627 1.00 0.00 O ATOM 717 CB GLU A 49 -9.311 -14.339 -4.793 1.00 0.00 C ATOM 718 CG GLU A 49 -10.157 -13.333 -5.594 1.00 0.00 C ATOM 719 CD GLU A 49 -11.605 -13.798 -5.862 1.00 0.00 C ATOM 720 OE1 GLU A 49 -11.853 -15.020 -6.022 1.00 0.00 O ATOM 721 OE2 GLU A 49 -12.508 -12.932 -5.965 1.00 0.00 O ATOM 0 H GLU A 49 -8.913 -13.060 -2.390 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.876 -14.972 -3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.296 -13.952 -4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.251 -15.271 -5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.185 -12.387 -5.053 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.666 -13.141 -6.548 1.00 0.00 H new ATOM 728 N ASP A 50 -9.650 -16.961 -2.541 1.00 0.00 N ATOM 729 CA ASP A 50 -9.001 -18.226 -2.115 1.00 0.00 C ATOM 730 C ASP A 50 -7.936 -18.167 -0.980 1.00 0.00 C ATOM 731 O ASP A 50 -7.092 -19.058 -0.853 1.00 0.00 O ATOM 732 CB ASP A 50 -8.439 -18.877 -3.396 1.00 0.00 C ATOM 733 CG ASP A 50 -8.163 -20.387 -3.257 1.00 0.00 C ATOM 734 OD1 ASP A 50 -9.039 -21.124 -2.741 1.00 0.00 O ATOM 735 OD2 ASP A 50 -7.096 -20.856 -3.724 1.00 0.00 O ATOM 0 H ASP A 50 -10.660 -17.060 -2.645 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.773 -18.818 -1.624 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.145 -18.720 -4.212 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.514 -18.372 -3.673 1.00 0.00 H new ATOM 740 N GLY A 51 -7.948 -17.111 -0.165 1.00 0.00 N ATOM 741 CA GLY A 51 -6.990 -16.838 0.926 1.00 0.00 C ATOM 742 C GLY A 51 -6.208 -15.529 0.735 1.00 0.00 C ATOM 743 O GLY A 51 -5.714 -14.957 1.707 1.00 0.00 O ATOM 0 H GLY A 51 -8.658 -16.383 -0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.530 -16.796 1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.286 -17.667 0.998 1.00 0.00 H new ATOM 747 N GLU A 52 -6.128 -15.026 -0.498 1.00 0.00 N ATOM 748 CA GLU A 52 -5.527 -13.736 -0.844 1.00 0.00 C ATOM 749 C GLU A 52 -6.481 -12.613 -0.419 1.00 0.00 C ATOM 750 O GLU A 52 -7.684 -12.690 -0.666 1.00 0.00 O ATOM 751 CB GLU A 52 -5.243 -13.674 -2.364 1.00 0.00 C ATOM 752 CG GLU A 52 -4.691 -12.331 -2.886 1.00 0.00 C ATOM 753 CD GLU A 52 -4.513 -12.286 -4.424 1.00 0.00 C ATOM 754 OE1 GLU A 52 -4.971 -13.200 -5.155 1.00 0.00 O ATOM 755 OE2 GLU A 52 -3.924 -11.299 -4.930 1.00 0.00 O ATOM 0 H GLU A 52 -6.492 -15.522 -1.311 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.579 -13.615 -0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.531 -14.461 -2.615 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.167 -13.898 -2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.365 -11.529 -2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.729 -12.135 -2.412 1.00 0.00 H new ATOM 762 N GLU A 53 -5.945 -11.551 0.175 1.00 0.00 N ATOM 763 CA GLU A 53 -6.670 -10.349 0.585 1.00 0.00 C ATOM 764 C GLU A 53 -6.110 -9.151 -0.186 1.00 0.00 C ATOM 765 O GLU A 53 -4.898 -8.944 -0.221 1.00 0.00 O ATOM 766 CB GLU A 53 -6.540 -10.115 2.099 1.00 0.00 C ATOM 767 CG GLU A 53 -7.147 -11.244 2.945 1.00 0.00 C ATOM 768 CD GLU A 53 -7.097 -10.904 4.448 1.00 0.00 C ATOM 769 OE1 GLU A 53 -7.813 -9.974 4.894 1.00 0.00 O ATOM 770 OE2 GLU A 53 -6.348 -11.572 5.204 1.00 0.00 O ATOM 0 H GLU A 53 -4.950 -11.501 0.394 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.729 -10.475 0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.486 -10.007 2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.028 -9.175 2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.180 -11.414 2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.605 -12.171 2.761 1.00 0.00 H new ATOM 777 N ILE A 54 -6.970 -8.347 -0.806 1.00 0.00 N ATOM 778 CA ILE A 54 -6.572 -7.192 -1.604 1.00 0.00 C ATOM 779 C ILE A 54 -7.256 -5.940 -1.063 1.00 0.00 C ATOM 780 O ILE A 54 -8.438 -5.979 -0.726 1.00 0.00 O ATOM 781 CB ILE A 54 -6.915 -7.407 -3.098 1.00 0.00 C ATOM 782 CG1 ILE A 54 -6.339 -8.723 -3.679 1.00 0.00 C ATOM 783 CG2 ILE A 54 -6.340 -6.225 -3.883 1.00 0.00 C ATOM 784 CD1 ILE A 54 -7.330 -9.897 -3.662 1.00 0.00 C ATOM 0 H ILE A 54 -7.980 -8.483 -0.767 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.492 -7.066 -1.531 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.999 -7.476 -3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.018 -8.546 -4.706 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.451 -9.001 -3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.566 -6.347 -4.942 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.785 -5.298 -3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.260 -6.187 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.853 -10.782 -4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.632 -10.103 -2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.208 -9.640 -4.254 1.00 0.00 H new ATOM 796 N VAL A 55 -6.528 -4.825 -1.013 1.00 0.00 N ATOM 797 CA VAL A 55 -7.030 -3.518 -0.579 1.00 0.00 C ATOM 798 C VAL A 55 -6.599 -2.465 -1.593 1.00 0.00 C ATOM 799 O VAL A 55 -5.406 -2.233 -1.790 1.00 0.00 O ATOM 800 CB VAL A 55 -6.467 -3.161 0.810 1.00 0.00 C ATOM 801 CG1 VAL A 55 -7.041 -1.835 1.314 1.00 0.00 C ATOM 802 CG2 VAL A 55 -6.764 -4.256 1.843 1.00 0.00 C ATOM 0 H VAL A 55 -5.544 -4.804 -1.281 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.117 -3.552 -0.513 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.387 -3.070 0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.626 -1.609 2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.781 -1.038 0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.126 -1.913 1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.351 -3.966 2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.842 -4.387 1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.310 -5.193 1.520 1.00 0.00 H new ATOM 812 N THR A 56 -7.563 -1.811 -2.234 1.00 0.00 N ATOM 813 CA THR A 56 -7.308 -0.728 -3.202 1.00 0.00 C ATOM 814 C THR A 56 -7.992 0.579 -2.794 1.00 0.00 C ATOM 815 O THR A 56 -9.163 0.574 -2.408 1.00 0.00 O ATOM 816 CB THR A 56 -7.615 -1.168 -4.642 1.00 0.00 C ATOM 817 OG1 THR A 56 -8.992 -1.423 -4.827 1.00 0.00 O ATOM 818 CG2 THR A 56 -6.861 -2.455 -5.008 1.00 0.00 C ATOM 0 H THR A 56 -8.554 -2.013 -2.101 1.00 0.00 H new ATOM 0 HA THR A 56 -6.240 -0.511 -3.184 1.00 0.00 H new ATOM 0 HB THR A 56 -7.295 -0.345 -5.281 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.152 -1.699 -5.754 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.101 -2.738 -6.033 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.788 -2.286 -4.920 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.159 -3.256 -4.331 1.00 0.00 H new ATOM 826 N TYR A 57 -7.292 1.713 -2.871 1.00 0.00 N ATOM 827 CA TYR A 57 -7.843 3.036 -2.539 1.00 0.00 C ATOM 828 C TYR A 57 -7.132 4.196 -3.257 1.00 0.00 C ATOM 829 O TYR A 57 -6.285 3.995 -4.131 1.00 0.00 O ATOM 830 CB TYR A 57 -7.888 3.240 -1.017 1.00 0.00 C ATOM 831 CG TYR A 57 -6.583 3.272 -0.236 1.00 0.00 C ATOM 832 CD1 TYR A 57 -6.072 2.075 0.303 1.00 0.00 C ATOM 833 CD2 TYR A 57 -5.952 4.495 0.066 1.00 0.00 C ATOM 834 CE1 TYR A 57 -4.967 2.103 1.174 1.00 0.00 C ATOM 835 CE2 TYR A 57 -4.841 4.528 0.932 1.00 0.00 C ATOM 836 CZ TYR A 57 -4.358 3.333 1.510 1.00 0.00 C ATOM 837 OH TYR A 57 -3.341 3.365 2.415 1.00 0.00 O ATOM 0 H TYR A 57 -6.317 1.743 -3.168 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.865 3.052 -2.917 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.408 4.179 -0.827 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.503 2.444 -0.597 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.530 1.131 0.047 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.322 5.412 -0.369 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.583 1.182 1.587 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.358 5.468 1.154 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.035 4.289 2.531 1.00 0.00 H new ATOM 847 N ASP A 58 -7.459 5.425 -2.858 1.00 0.00 N ATOM 848 CA ASP A 58 -6.922 6.657 -3.425 1.00 0.00 C ATOM 849 C ASP A 58 -6.696 7.681 -2.294 1.00 0.00 C ATOM 850 O ASP A 58 -7.353 7.627 -1.249 1.00 0.00 O ATOM 851 CB ASP A 58 -7.988 7.239 -4.384 1.00 0.00 C ATOM 852 CG ASP A 58 -8.178 6.484 -5.718 1.00 0.00 C ATOM 853 OD1 ASP A 58 -8.592 5.300 -5.720 1.00 0.00 O ATOM 854 OD2 ASP A 58 -8.003 7.115 -6.784 1.00 0.00 O ATOM 0 H ASP A 58 -8.127 5.593 -2.106 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.984 6.456 -3.942 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.945 7.262 -3.862 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.722 8.272 -4.608 1.00 0.00 H new ATOM 859 N HIS A 59 -5.823 8.661 -2.538 1.00 0.00 N ATOM 860 CA HIS A 59 -5.517 9.769 -1.625 1.00 0.00 C ATOM 861 C HIS A 59 -6.050 11.064 -2.248 1.00 0.00 C ATOM 862 O HIS A 59 -5.955 11.247 -3.461 1.00 0.00 O ATOM 863 CB HIS A 59 -4.007 9.897 -1.368 1.00 0.00 C ATOM 864 CG HIS A 59 -3.310 8.656 -0.851 1.00 0.00 C ATOM 865 ND1 HIS A 59 -2.930 8.409 0.453 1.00 0.00 N ATOM 866 CD2 HIS A 59 -2.731 7.677 -1.620 1.00 0.00 C ATOM 867 CE1 HIS A 59 -2.130 7.327 0.457 1.00 0.00 C ATOM 868 NE2 HIS A 59 -1.978 6.843 -0.785 1.00 0.00 N ATOM 0 H HIS A 59 -5.290 8.708 -3.406 1.00 0.00 H new ATOM 0 HA HIS A 59 -5.993 9.575 -0.664 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.525 10.198 -2.298 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.848 10.703 -0.651 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -3.207 8.952 1.271 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.838 7.569 -2.689 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.673 6.906 1.340 1.00 0.00 H new ATOM 876 N LEU A 60 -6.609 11.966 -1.441 1.00 0.00 N ATOM 877 CA LEU A 60 -7.235 13.212 -1.888 1.00 0.00 C ATOM 878 C LEU A 60 -6.754 14.392 -1.052 1.00 0.00 C ATOM 879 O LEU A 60 -6.742 14.305 0.172 1.00 0.00 O ATOM 880 CB LEU A 60 -8.773 13.141 -1.766 1.00 0.00 C ATOM 881 CG LEU A 60 -9.485 12.259 -2.803 1.00 0.00 C ATOM 882 CD1 LEU A 60 -9.524 10.785 -2.401 1.00 0.00 C ATOM 883 CD2 LEU A 60 -10.944 12.695 -2.941 1.00 0.00 C ATOM 0 H LEU A 60 -6.640 11.847 -0.428 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.952 13.349 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.023 12.773 -0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.172 14.153 -1.842 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.921 12.374 -3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.039 10.211 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.506 10.411 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.055 10.680 -1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.444 12.066 -3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.446 12.595 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.984 13.735 -3.265 1.00 0.00 H new ATOM 895 N CYS A 61 -6.405 15.494 -1.707 1.00 0.00 N ATOM 896 CA CYS A 61 -5.971 16.731 -1.069 1.00 0.00 C ATOM 897 C CYS A 61 -7.067 17.277 -0.136 1.00 0.00 C ATOM 898 O CYS A 61 -8.198 17.515 -0.559 1.00 0.00 O ATOM 899 CB CYS A 61 -5.607 17.690 -2.214 1.00 0.00 C ATOM 900 SG CYS A 61 -4.604 19.105 -1.668 1.00 0.00 S ATOM 0 H CYS A 61 -6.417 15.553 -2.725 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.105 16.585 -0.423 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.062 17.140 -2.981 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.523 18.058 -2.676 1.00 0.00 H new ATOM 905 N LYS A 62 -6.773 17.492 1.151 1.00 0.00 N ATOM 906 CA LYS A 62 -7.753 18.050 2.110 1.00 0.00 C ATOM 907 C LYS A 62 -8.185 19.485 1.719 1.00 0.00 C ATOM 908 O LYS A 62 -9.175 19.993 2.250 1.00 0.00 O ATOM 909 CB LYS A 62 -7.167 17.946 3.537 1.00 0.00 C ATOM 910 CG LYS A 62 -7.844 18.750 4.661 1.00 0.00 C ATOM 911 CD LYS A 62 -9.289 18.316 4.939 1.00 0.00 C ATOM 912 CE LYS A 62 -10.029 19.289 5.869 1.00 0.00 C ATOM 913 NZ LYS A 62 -10.294 20.600 5.215 1.00 0.00 N ATOM 0 H LYS A 62 -5.861 17.289 1.561 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.674 17.467 2.083 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.178 16.895 3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.122 18.253 3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.259 18.645 5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.835 19.807 4.397 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.829 18.239 3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.286 17.322 5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.973 18.843 6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.438 19.448 6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.776 21.349 5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.978 20.564 4.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.313 20.804 5.246 1.00 0.00 H new ATOM 927 N ASN A 63 -7.480 20.134 0.787 1.00 0.00 N ATOM 928 CA ASN A 63 -7.769 21.485 0.324 1.00 0.00 C ATOM 929 C ASN A 63 -8.619 21.476 -0.960 1.00 0.00 C ATOM 930 O ASN A 63 -9.785 21.881 -0.915 1.00 0.00 O ATOM 931 CB ASN A 63 -6.449 22.240 0.143 1.00 0.00 C ATOM 932 CG ASN A 63 -6.690 23.641 -0.388 1.00 0.00 C ATOM 933 OD1 ASN A 63 -7.381 24.446 0.222 1.00 0.00 O ATOM 934 ND2 ASN A 63 -6.137 23.985 -1.521 1.00 0.00 N ATOM 0 H ASN A 63 -6.672 19.718 0.324 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.368 22.004 1.072 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.924 22.294 1.097 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.805 21.693 -0.545 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.282 24.923 -1.895 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.561 23.316 -2.031 1.00 0.00 H new ATOM 941 N CYS A 64 -8.065 21.014 -2.087 1.00 0.00 N ATOM 942 CA CYS A 64 -8.739 20.987 -3.387 1.00 0.00 C ATOM 943 C CYS A 64 -9.477 19.668 -3.716 1.00 0.00 C ATOM 944 O CYS A 64 -10.184 19.594 -4.728 1.00 0.00 O ATOM 945 CB CYS A 64 -7.729 21.400 -4.481 1.00 0.00 C ATOM 946 SG CYS A 64 -6.221 20.366 -4.566 1.00 0.00 S ATOM 0 H CYS A 64 -7.116 20.641 -2.120 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.552 21.711 -3.345 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.230 21.367 -5.449 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.433 22.435 -4.310 1.00 0.00 H new ATOM 951 N HIS A 65 -9.349 18.631 -2.874 1.00 0.00 N ATOM 952 CA HIS A 65 -9.935 17.281 -3.047 1.00 0.00 C ATOM 953 C HIS A 65 -9.614 16.597 -4.382 1.00 0.00 C ATOM 954 O HIS A 65 -10.259 15.623 -4.777 1.00 0.00 O ATOM 955 CB HIS A 65 -11.408 17.241 -2.615 1.00 0.00 C ATOM 956 CG HIS A 65 -11.572 17.551 -1.146 1.00 0.00 C ATOM 957 ND1 HIS A 65 -11.929 18.774 -0.607 1.00 0.00 N ATOM 958 CD2 HIS A 65 -11.336 16.688 -0.107 1.00 0.00 C ATOM 959 CE1 HIS A 65 -11.926 18.656 0.736 1.00 0.00 C ATOM 960 NE2 HIS A 65 -11.577 17.393 1.061 1.00 0.00 N ATOM 0 H HIS A 65 -8.810 18.708 -2.012 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.410 16.631 -2.348 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.979 17.959 -3.204 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.822 16.255 -2.827 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.023 15.657 -0.184 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.164 19.443 1.437 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.503 17.020 2.008 1.00 0.00 H new ATOM 969 N HIS A 66 -8.556 17.056 -5.039 1.00 0.00 N ATOM 970 CA HIS A 66 -7.961 16.420 -6.205 1.00 0.00 C ATOM 971 C HIS A 66 -7.320 15.098 -5.742 1.00 0.00 C ATOM 972 O HIS A 66 -6.816 15.015 -4.616 1.00 0.00 O ATOM 973 CB HIS A 66 -6.920 17.381 -6.768 1.00 0.00 C ATOM 974 CG HIS A 66 -5.604 16.769 -7.116 1.00 0.00 C ATOM 975 ND1 HIS A 66 -5.247 16.203 -8.318 1.00 0.00 N ATOM 976 CD2 HIS A 66 -4.470 16.944 -6.372 1.00 0.00 C ATOM 977 CE1 HIS A 66 -3.907 16.149 -8.343 1.00 0.00 C ATOM 978 NE2 HIS A 66 -3.399 16.634 -7.195 1.00 0.00 N ATOM 0 H HIS A 66 -8.073 17.911 -4.764 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.693 16.198 -6.982 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.330 17.851 -7.662 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.751 18.174 -6.040 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.881 15.885 -9.051 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.419 17.263 -5.341 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.320 15.770 -9.167 1.00 0.00 H new ATOM 986 N VAL A 67 -7.313 14.065 -6.589 1.00 0.00 N ATOM 987 CA VAL A 67 -6.696 12.778 -6.251 1.00 0.00 C ATOM 988 C VAL A 67 -5.170 12.875 -6.357 1.00 0.00 C ATOM 989 O VAL A 67 -4.606 12.819 -7.453 1.00 0.00 O ATOM 990 CB VAL A 67 -7.257 11.636 -7.116 1.00 0.00 C ATOM 991 CG1 VAL A 67 -6.667 10.297 -6.671 1.00 0.00 C ATOM 992 CG2 VAL A 67 -8.782 11.520 -6.989 1.00 0.00 C ATOM 0 H VAL A 67 -7.730 14.095 -7.519 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.948 12.540 -5.218 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.989 11.866 -8.147 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.072 9.497 -7.291 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.582 10.324 -6.776 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.926 10.114 -5.628 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.138 10.702 -7.615 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.047 11.323 -5.950 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.246 12.452 -7.311 1.00 0.00 H new ATOM 1002 N ILE A 68 -4.512 12.991 -5.201 1.00 0.00 N ATOM 1003 CA ILE A 68 -3.051 13.088 -5.054 1.00 0.00 C ATOM 1004 C ILE A 68 -2.343 11.865 -5.655 1.00 0.00 C ATOM 1005 O ILE A 68 -1.360 11.991 -6.389 1.00 0.00 O ATOM 1006 CB ILE A 68 -2.698 13.254 -3.557 1.00 0.00 C ATOM 1007 CG1 ILE A 68 -3.100 14.686 -3.152 1.00 0.00 C ATOM 1008 CG2 ILE A 68 -1.211 12.966 -3.238 1.00 0.00 C ATOM 1009 CD1 ILE A 68 -2.976 14.974 -1.660 1.00 0.00 C ATOM 0 H ILE A 68 -4.998 13.021 -4.305 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.700 13.961 -5.605 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.248 12.514 -2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.478 15.394 -3.700 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.131 14.862 -3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.035 13.102 -2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.971 11.940 -3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.579 13.653 -3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.278 16.002 -1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.620 14.293 -1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.941 14.833 -1.347 1.00 0.00 H new ATOM 1021 N ALA A 69 -2.838 10.669 -5.319 1.00 0.00 N ATOM 1022 CA ALA A 69 -2.246 9.393 -5.707 1.00 0.00 C ATOM 1023 C ALA A 69 -3.237 8.219 -5.578 1.00 0.00 C ATOM 1024 O ALA A 69 -4.294 8.347 -4.954 1.00 0.00 O ATOM 1025 CB ALA A 69 -1.032 9.185 -4.784 1.00 0.00 C ATOM 0 H ALA A 69 -3.682 10.564 -4.756 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.958 9.418 -6.758 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.546 8.241 -5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.325 10.003 -4.922 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.364 9.164 -3.746 1.00 0.00 H new ATOM 1031 N ARG A 70 -2.868 7.060 -6.134 1.00 0.00 N ATOM 1032 CA ARG A 70 -3.609 5.789 -6.066 1.00 0.00 C ATOM 1033 C ARG A 70 -2.758 4.764 -5.319 1.00 0.00 C ATOM 1034 O ARG A 70 -1.549 4.714 -5.544 1.00 0.00 O ATOM 1035 CB ARG A 70 -3.917 5.241 -7.466 1.00 0.00 C ATOM 1036 CG ARG A 70 -5.216 5.728 -8.095 1.00 0.00 C ATOM 1037 CD ARG A 70 -5.201 7.220 -8.418 1.00 0.00 C ATOM 1038 NE ARG A 70 -4.134 7.588 -9.376 1.00 0.00 N ATOM 1039 CZ ARG A 70 -3.619 8.789 -9.567 1.00 0.00 C ATOM 1040 NH1 ARG A 70 -4.080 9.841 -8.953 1.00 0.00 N ATOM 1041 NH2 ARG A 70 -2.620 8.959 -10.383 1.00 0.00 N ATOM 0 H ARG A 70 -2.004 6.975 -6.670 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.552 5.970 -5.551 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.093 5.505 -8.129 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.947 4.153 -7.412 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.403 5.166 -9.010 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.043 5.517 -7.417 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.168 7.508 -8.830 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.066 7.786 -7.496 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.756 6.834 -9.950 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.861 9.751 -8.303 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.660 10.755 -9.122 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.228 8.161 -10.882 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.229 9.891 -10.524 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.413 3.948 -4.495 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.799 2.939 -3.621 1.00 0.00 C ATOM 1057 C HIS A 71 -3.382 1.543 -3.829 1.00 0.00 C ATOM 1058 O HIS A 71 -4.599 1.361 -3.924 1.00 0.00 O ATOM 1059 CB HIS A 71 -3.065 3.332 -2.158 1.00 0.00 C ATOM 1060 CG HIS A 71 -2.154 2.682 -1.132 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -1.174 3.385 -0.429 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -2.116 1.364 -0.737 1.00 0.00 C ATOM 1063 CE1 HIS A 71 -0.566 2.490 0.363 1.00 0.00 C ATOM 1064 NE2 HIS A 71 -1.126 1.276 0.220 1.00 0.00 N ATOM 0 H HIS A 71 -4.429 3.970 -4.412 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.736 2.908 -3.862 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.971 4.414 -2.068 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.097 3.080 -1.914 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.737 0.560 -1.103 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.259 2.713 1.024 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.864 0.434 0.732 1.00 0.00 H new ATOM 1072 N GLU A 72 -2.520 0.536 -3.832 1.00 0.00 N ATOM 1073 CA GLU A 72 -2.895 -0.869 -3.904 1.00 0.00 C ATOM 1074 C GLU A 72 -1.989 -1.675 -2.968 1.00 0.00 C ATOM 1075 O GLU A 72 -0.765 -1.560 -3.008 1.00 0.00 O ATOM 1076 CB GLU A 72 -2.798 -1.362 -5.360 1.00 0.00 C ATOM 1077 CG GLU A 72 -2.851 -2.891 -5.463 1.00 0.00 C ATOM 1078 CD GLU A 72 -3.043 -3.341 -6.925 1.00 0.00 C ATOM 1079 OE1 GLU A 72 -4.204 -3.452 -7.383 1.00 0.00 O ATOM 1080 OE2 GLU A 72 -2.032 -3.587 -7.628 1.00 0.00 O ATOM 0 H GLU A 72 -1.511 0.678 -3.783 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.927 -1.003 -3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.614 -0.933 -5.941 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.868 -1.003 -5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.930 -3.318 -5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.669 -3.272 -4.851 1.00 0.00 H new ATOM 1087 N TYR A 73 -2.591 -2.526 -2.147 1.00 0.00 N ATOM 1088 CA TYR A 73 -1.910 -3.473 -1.276 1.00 0.00 C ATOM 1089 C TYR A 73 -2.567 -4.832 -1.501 1.00 0.00 C ATOM 1090 O TYR A 73 -3.788 -4.960 -1.411 1.00 0.00 O ATOM 1091 CB TYR A 73 -2.008 -3.035 0.188 1.00 0.00 C ATOM 1092 CG TYR A 73 -1.795 -4.154 1.196 1.00 0.00 C ATOM 1093 CD1 TYR A 73 -0.549 -4.800 1.340 1.00 0.00 C ATOM 1094 CD2 TYR A 73 -2.888 -4.586 1.968 1.00 0.00 C ATOM 1095 CE1 TYR A 73 -0.389 -5.842 2.273 1.00 0.00 C ATOM 1096 CE2 TYR A 73 -2.730 -5.608 2.920 1.00 0.00 C ATOM 1097 CZ TYR A 73 -1.473 -6.226 3.092 1.00 0.00 C ATOM 1098 OH TYR A 73 -1.303 -7.184 4.044 1.00 0.00 O ATOM 0 H TYR A 73 -3.607 -2.577 -2.067 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.846 -3.524 -1.508 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.271 -2.253 0.370 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.990 -2.593 0.357 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.288 -4.493 0.730 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.857 -4.129 1.828 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.562 -6.347 2.362 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.571 -5.921 3.520 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.548 -7.758 3.799 1.00 0.00 H new ATOM 1108 N THR A 74 -1.777 -5.853 -1.807 1.00 0.00 N ATOM 1109 CA THR A 74 -2.276 -7.214 -2.036 1.00 0.00 C ATOM 1110 C THR A 74 -1.465 -8.186 -1.176 1.00 0.00 C ATOM 1111 O THR A 74 -0.240 -8.085 -1.058 1.00 0.00 O ATOM 1112 CB THR A 74 -2.275 -7.625 -3.528 1.00 0.00 C ATOM 1113 OG1 THR A 74 -1.067 -8.236 -3.918 1.00 0.00 O ATOM 1114 CG2 THR A 74 -2.484 -6.463 -4.512 1.00 0.00 C ATOM 0 H THR A 74 -0.765 -5.766 -1.905 1.00 0.00 H new ATOM 0 HA THR A 74 -3.324 -7.246 -1.740 1.00 0.00 H new ATOM 0 HB THR A 74 -3.119 -8.313 -3.583 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.335 -7.588 -3.847 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.469 -6.844 -5.533 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.446 -5.989 -4.316 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.686 -5.731 -4.386 1.00 0.00 H new ATOM 1122 N PHE A 75 -2.149 -9.118 -0.526 1.00 0.00 N ATOM 1123 CA PHE A 75 -1.545 -10.116 0.358 1.00 0.00 C ATOM 1124 C PHE A 75 -2.019 -11.526 -0.034 1.00 0.00 C ATOM 1125 O PHE A 75 -3.218 -11.752 -0.103 1.00 0.00 O ATOM 1126 CB PHE A 75 -1.916 -9.787 1.808 1.00 0.00 C ATOM 1127 CG PHE A 75 -1.699 -10.952 2.742 1.00 0.00 C ATOM 1128 CD1 PHE A 75 -0.394 -11.259 3.142 1.00 0.00 C ATOM 1129 CD2 PHE A 75 -2.765 -11.794 3.114 1.00 0.00 C ATOM 1130 CE1 PHE A 75 -0.146 -12.391 3.920 1.00 0.00 C ATOM 1131 CE2 PHE A 75 -2.512 -12.949 3.875 1.00 0.00 C ATOM 1132 CZ PHE A 75 -1.197 -13.251 4.271 1.00 0.00 C ATOM 0 H PHE A 75 -3.163 -9.206 -0.598 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.460 -10.093 0.259 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.322 -8.939 2.147 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.961 -9.482 1.851 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.424 -10.618 2.848 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.775 -11.553 2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.859 -12.605 4.253 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.325 -13.602 4.155 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.997 -14.144 4.845 1.00 0.00 H new ATOM 1142 N SER A 76 -1.114 -12.479 -0.263 1.00 0.00 N ATOM 1143 CA SER A 76 -1.386 -13.860 -0.718 1.00 0.00 C ATOM 1144 C SER A 76 -0.735 -14.931 0.157 1.00 0.00 C ATOM 1145 O SER A 76 0.386 -14.762 0.611 1.00 0.00 O ATOM 1146 CB SER A 76 -0.859 -14.063 -2.148 1.00 0.00 C ATOM 1147 OG SER A 76 -1.831 -13.747 -3.121 1.00 0.00 O ATOM 0 H SER A 76 -0.117 -12.308 -0.132 1.00 0.00 H new ATOM 0 HA SER A 76 -2.468 -13.975 -0.661 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.022 -13.440 -2.301 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.543 -15.099 -2.274 1.00 0.00 H new ATOM 0 HG SER A 76 -1.456 -13.888 -4.016 1.00 0.00 H new ATOM 1153 N ILE A 77 -1.404 -16.063 0.380 1.00 0.00 N ATOM 1154 CA ILE A 77 -0.822 -17.211 1.115 1.00 0.00 C ATOM 1155 C ILE A 77 -0.561 -18.371 0.147 1.00 0.00 C ATOM 1156 O ILE A 77 -1.489 -18.854 -0.507 1.00 0.00 O ATOM 1157 CB ILE A 77 -1.702 -17.640 2.309 1.00 0.00 C ATOM 1158 CG1 ILE A 77 -1.950 -16.418 3.216 1.00 0.00 C ATOM 1159 CG2 ILE A 77 -1.040 -18.823 3.045 1.00 0.00 C ATOM 1160 CD1 ILE A 77 -2.411 -16.722 4.645 1.00 0.00 C ATOM 0 H ILE A 77 -2.360 -16.220 0.062 1.00 0.00 H new ATOM 0 HA ILE A 77 0.131 -16.898 1.541 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.676 -17.993 1.970 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.029 -15.837 3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.699 -15.785 2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.664 -19.123 3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.929 -19.662 2.359 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.058 -18.521 3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.553 -15.788 5.188 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.352 -17.271 4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.656 -17.324 5.150 1.00 0.00 H new ATOM 1172 N MET A 78 0.699 -18.823 0.061 1.00 0.00 N ATOM 1173 CA MET A 78 1.128 -19.953 -0.776 1.00 0.00 C ATOM 1174 C MET A 78 1.747 -21.113 0.020 1.00 0.00 C ATOM 1175 O MET A 78 2.827 -20.957 0.581 1.00 0.00 O ATOM 1176 CB MET A 78 2.056 -19.484 -1.912 1.00 0.00 C ATOM 1177 CG MET A 78 3.217 -18.571 -1.476 1.00 0.00 C ATOM 1178 SD MET A 78 4.634 -18.483 -2.612 1.00 0.00 S ATOM 1179 CE MET A 78 3.815 -18.288 -4.217 1.00 0.00 C ATOM 0 H MET A 78 1.467 -18.402 0.585 1.00 0.00 H new ATOM 0 HA MET A 78 0.219 -20.358 -1.221 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.472 -20.362 -2.406 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.457 -18.955 -2.653 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.827 -17.563 -1.335 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.576 -18.912 -0.505 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.561 -18.079 -4.983 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.284 -19.206 -4.468 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.107 -17.461 -4.166 1.00 0.00 H new ATOM 1189 N ASP A 79 1.102 -22.286 0.005 1.00 0.00 N ATOM 1190 CA ASP A 79 1.508 -23.570 0.621 1.00 0.00 C ATOM 1191 C ASP A 79 1.912 -23.546 2.113 1.00 0.00 C ATOM 1192 O ASP A 79 1.195 -24.086 2.959 1.00 0.00 O ATOM 1193 CB ASP A 79 2.632 -24.199 -0.219 1.00 0.00 C ATOM 1194 CG ASP A 79 2.167 -24.581 -1.634 1.00 0.00 C ATOM 1195 OD1 ASP A 79 1.360 -25.533 -1.767 1.00 0.00 O ATOM 1196 OD2 ASP A 79 2.614 -23.946 -2.620 1.00 0.00 O ATOM 0 H ASP A 79 0.207 -22.376 -0.477 1.00 0.00 H new ATOM 0 HA ASP A 79 0.598 -24.170 0.617 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.464 -23.498 -0.290 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.007 -25.088 0.289 1.00 0.00 H new ATOM 1201 N GLU A 80 3.046 -22.928 2.444 1.00 0.00 N ATOM 1202 CA GLU A 80 3.618 -22.792 3.791 1.00 0.00 C ATOM 1203 C GLU A 80 4.140 -21.373 4.055 1.00 0.00 C ATOM 1204 O GLU A 80 4.792 -21.145 5.072 1.00 0.00 O ATOM 1205 CB GLU A 80 4.806 -23.750 4.003 1.00 0.00 C ATOM 1206 CG GLU A 80 4.604 -25.172 3.478 1.00 0.00 C ATOM 1207 CD GLU A 80 5.732 -26.110 3.949 1.00 0.00 C ATOM 1208 OE1 GLU A 80 6.795 -26.177 3.286 1.00 0.00 O ATOM 1209 OE2 GLU A 80 5.557 -26.807 4.980 1.00 0.00 O ATOM 0 H GLU A 80 3.629 -22.480 1.737 1.00 0.00 H new ATOM 0 HA GLU A 80 2.804 -23.029 4.476 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.685 -23.324 3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.023 -23.802 5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.643 -25.555 3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.571 -25.158 2.389 1.00 0.00 H new ATOM 1216 N PHE A 81 3.925 -20.417 3.147 1.00 0.00 N ATOM 1217 CA PHE A 81 4.481 -19.071 3.295 1.00 0.00 C ATOM 1218 C PHE A 81 3.379 -18.030 3.053 1.00 0.00 C ATOM 1219 O PHE A 81 2.297 -18.326 2.539 1.00 0.00 O ATOM 1220 CB PHE A 81 5.584 -18.815 2.242 1.00 0.00 C ATOM 1221 CG PHE A 81 6.387 -20.006 1.752 1.00 0.00 C ATOM 1222 CD1 PHE A 81 7.057 -20.888 2.617 1.00 0.00 C ATOM 1223 CD2 PHE A 81 6.380 -20.266 0.371 1.00 0.00 C ATOM 1224 CE1 PHE A 81 7.750 -21.996 2.095 1.00 0.00 C ATOM 1225 CE2 PHE A 81 7.055 -21.377 -0.156 1.00 0.00 C ATOM 1226 CZ PHE A 81 7.753 -22.241 0.709 1.00 0.00 C ATOM 0 H PHE A 81 3.370 -20.551 2.302 1.00 0.00 H new ATOM 0 HA PHE A 81 4.892 -18.990 4.301 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.117 -18.347 1.375 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.282 -18.089 2.659 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.040 -20.715 3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.848 -19.602 -0.294 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.281 -22.661 2.760 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.039 -21.568 -1.219 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.289 -23.089 0.310 1.00 0.00 H new ATOM 1236 N GLN A 82 3.702 -16.778 3.349 1.00 0.00 N ATOM 1237 CA GLN A 82 2.845 -15.620 3.118 1.00 0.00 C ATOM 1238 C GLN A 82 3.577 -14.620 2.234 1.00 0.00 C ATOM 1239 O GLN A 82 4.771 -14.420 2.402 1.00 0.00 O ATOM 1240 CB GLN A 82 2.463 -14.941 4.436 1.00 0.00 C ATOM 1241 CG GLN A 82 2.290 -15.837 5.658 1.00 0.00 C ATOM 1242 CD GLN A 82 1.581 -15.108 6.794 1.00 0.00 C ATOM 1243 OE1 GLN A 82 0.400 -15.294 7.052 1.00 0.00 O ATOM 1244 NE2 GLN A 82 2.271 -14.250 7.513 1.00 0.00 N ATOM 0 H GLN A 82 4.597 -16.531 3.771 1.00 0.00 H new ATOM 0 HA GLN A 82 1.933 -15.962 2.629 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.227 -14.199 4.667 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.530 -14.400 4.279 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.719 -16.723 5.382 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.267 -16.180 5.999 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.257 -14.088 7.306 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.821 -13.747 8.278 1.00 0.00 H new ATOM 1253 N GLU A 83 2.856 -13.954 1.348 1.00 0.00 N ATOM 1254 CA GLU A 83 3.343 -12.969 0.384 1.00 0.00 C ATOM 1255 C GLU A 83 2.631 -11.643 0.607 1.00 0.00 C ATOM 1256 O GLU A 83 1.406 -11.576 0.653 1.00 0.00 O ATOM 1257 CB GLU A 83 3.039 -13.406 -1.066 1.00 0.00 C ATOM 1258 CG GLU A 83 4.115 -14.284 -1.705 1.00 0.00 C ATOM 1259 CD GLU A 83 3.793 -14.574 -3.187 1.00 0.00 C ATOM 1260 OE1 GLU A 83 2.641 -14.951 -3.512 1.00 0.00 O ATOM 1261 OE2 GLU A 83 4.695 -14.414 -4.046 1.00 0.00 O ATOM 0 H GLU A 83 1.848 -14.093 1.274 1.00 0.00 H new ATOM 0 HA GLU A 83 4.420 -12.877 0.527 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.093 -13.947 -1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.904 -12.515 -1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.083 -13.789 -1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.194 -15.223 -1.157 1.00 0.00 H new ATOM 1268 N TYR A 84 3.410 -10.578 0.686 1.00 0.00 N ATOM 1269 CA TYR A 84 2.940 -9.213 0.867 1.00 0.00 C ATOM 1270 C TYR A 84 3.433 -8.359 -0.287 1.00 0.00 C ATOM 1271 O TYR A 84 4.627 -8.375 -0.580 1.00 0.00 O ATOM 1272 CB TYR A 84 3.525 -8.648 2.159 1.00 0.00 C ATOM 1273 CG TYR A 84 2.993 -9.316 3.412 1.00 0.00 C ATOM 1274 CD1 TYR A 84 3.590 -10.497 3.902 1.00 0.00 C ATOM 1275 CD2 TYR A 84 1.851 -8.787 4.041 1.00 0.00 C ATOM 1276 CE1 TYR A 84 3.062 -11.138 5.041 1.00 0.00 C ATOM 1277 CE2 TYR A 84 1.345 -9.399 5.203 1.00 0.00 C ATOM 1278 CZ TYR A 84 1.958 -10.568 5.714 1.00 0.00 C ATOM 1279 OH TYR A 84 1.459 -11.175 6.827 1.00 0.00 O ATOM 0 H TYR A 84 4.426 -10.642 0.624 1.00 0.00 H new ATOM 0 HA TYR A 84 1.851 -9.207 0.908 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.609 -8.755 2.134 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.311 -7.580 2.208 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.454 -10.911 3.403 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.364 -7.914 3.633 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.499 -12.059 5.397 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.488 -8.976 5.706 1.00 0.00 H new ATOM 0 HH TYR A 84 0.702 -10.656 7.171 1.00 0.00 H new ATOM 1289 N THR A 85 2.549 -7.600 -0.929 1.00 0.00 N ATOM 1290 CA THR A 85 2.942 -6.695 -2.010 1.00 0.00 C ATOM 1291 C THR A 85 2.164 -5.381 -1.872 1.00 0.00 C ATOM 1292 O THR A 85 0.993 -5.355 -1.499 1.00 0.00 O ATOM 1293 CB THR A 85 2.775 -7.300 -3.427 1.00 0.00 C ATOM 1294 OG1 THR A 85 1.510 -7.055 -3.995 1.00 0.00 O ATOM 1295 CG2 THR A 85 2.942 -8.828 -3.485 1.00 0.00 C ATOM 0 H THR A 85 1.551 -7.593 -0.719 1.00 0.00 H new ATOM 0 HA THR A 85 4.011 -6.511 -1.906 1.00 0.00 H new ATOM 0 HB THR A 85 3.571 -6.800 -3.979 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.468 -7.460 -4.887 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.810 -9.170 -4.512 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.939 -9.098 -3.138 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.195 -9.300 -2.846 1.00 0.00 H new ATOM 1303 N MET A 86 2.813 -4.263 -2.163 1.00 0.00 N ATOM 1304 CA MET A 86 2.241 -2.918 -2.143 1.00 0.00 C ATOM 1305 C MET A 86 2.735 -2.141 -3.362 1.00 0.00 C ATOM 1306 O MET A 86 3.865 -2.318 -3.818 1.00 0.00 O ATOM 1307 CB MET A 86 2.615 -2.228 -0.828 1.00 0.00 C ATOM 1308 CG MET A 86 2.160 -0.770 -0.753 1.00 0.00 C ATOM 1309 SD MET A 86 2.642 0.081 0.772 1.00 0.00 S ATOM 1310 CE MET A 86 4.354 0.515 0.347 1.00 0.00 C ATOM 0 H MET A 86 3.797 -4.265 -2.432 1.00 0.00 H new ATOM 0 HA MET A 86 1.153 -2.962 -2.196 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.174 -2.781 0.001 1.00 0.00 H new ATOM 0 HB3 MET A 86 3.697 -2.270 -0.700 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.573 -0.228 -1.604 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.075 -0.734 -0.848 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.924 0.683 1.261 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.806 -0.300 -0.218 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.360 1.422 -0.257 1.00 0.00 H new ATOM 1320 N LEU A 87 1.863 -1.283 -3.879 1.00 0.00 N ATOM 1321 CA LEU A 87 2.079 -0.426 -5.042 1.00 0.00 C ATOM 1322 C LEU A 87 1.227 0.858 -4.926 1.00 0.00 C ATOM 1323 O LEU A 87 0.015 0.842 -5.138 1.00 0.00 O ATOM 1324 CB LEU A 87 1.682 -1.225 -6.298 1.00 0.00 C ATOM 1325 CG LEU A 87 2.048 -0.517 -7.603 1.00 0.00 C ATOM 1326 CD1 LEU A 87 3.476 -0.851 -8.005 1.00 0.00 C ATOM 1327 CD2 LEU A 87 1.118 -0.903 -8.750 1.00 0.00 C ATOM 0 H LEU A 87 0.934 -1.159 -3.476 1.00 0.00 H new ATOM 0 HA LEU A 87 3.125 -0.126 -5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.171 -2.199 -6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.608 -1.407 -6.280 1.00 0.00 H new ATOM 0 HG LEU A 87 1.945 0.552 -7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.721 -0.339 -8.936 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.160 -0.526 -7.221 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.572 -1.928 -8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.418 -0.375 -9.655 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.177 -1.978 -8.921 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.094 -0.632 -8.495 1.00 0.00 H new ATOM 1339 N CYS A 88 1.875 1.974 -4.609 1.00 0.00 N ATOM 1340 CA CYS A 88 1.287 3.303 -4.477 1.00 0.00 C ATOM 1341 C CYS A 88 2.250 4.366 -5.026 1.00 0.00 C ATOM 1342 O CYS A 88 3.455 4.322 -4.753 1.00 0.00 O ATOM 1343 CB CYS A 88 0.988 3.579 -2.999 1.00 0.00 C ATOM 1344 SG CYS A 88 0.394 5.290 -2.751 1.00 0.00 S ATOM 0 H CYS A 88 2.879 1.976 -4.427 1.00 0.00 H new ATOM 0 HA CYS A 88 0.361 3.346 -5.050 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.237 2.875 -2.640 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.888 3.415 -2.407 1.00 0.00 H new ATOM 1349 N LEU A 89 1.714 5.329 -5.781 1.00 0.00 N ATOM 1350 CA LEU A 89 2.468 6.457 -6.333 1.00 0.00 C ATOM 1351 C LEU A 89 3.130 7.301 -5.230 1.00 0.00 C ATOM 1352 O LEU A 89 4.243 7.795 -5.433 1.00 0.00 O ATOM 1353 CB LEU A 89 1.517 7.295 -7.219 1.00 0.00 C ATOM 1354 CG LEU A 89 2.064 8.657 -7.689 1.00 0.00 C ATOM 1355 CD1 LEU A 89 3.276 8.526 -8.593 1.00 0.00 C ATOM 1356 CD2 LEU A 89 1.039 9.450 -8.497 1.00 0.00 C ATOM 0 H LEU A 89 0.725 5.346 -6.030 1.00 0.00 H new ATOM 0 HA LEU A 89 3.289 6.081 -6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.257 6.706 -8.099 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.593 7.467 -6.666 1.00 0.00 H new ATOM 0 HG LEU A 89 2.322 9.167 -6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.616 9.518 -8.892 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.076 8.014 -8.058 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.008 7.952 -9.480 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.474 10.401 -8.804 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.753 8.880 -9.381 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.157 9.636 -7.884 1.00 0.00 H new ATOM 1368 N LEU A 90 2.483 7.426 -4.069 1.00 0.00 N ATOM 1369 CA LEU A 90 2.974 8.170 -2.916 1.00 0.00 C ATOM 1370 C LEU A 90 3.662 7.243 -1.915 1.00 0.00 C ATOM 1371 O LEU A 90 4.848 7.422 -1.633 1.00 0.00 O ATOM 1372 CB LEU A 90 1.777 8.863 -2.235 1.00 0.00 C ATOM 1373 CG LEU A 90 2.099 9.455 -0.848 1.00 0.00 C ATOM 1374 CD1 LEU A 90 3.213 10.490 -0.922 1.00 0.00 C ATOM 1375 CD2 LEU A 90 0.861 10.106 -0.236 1.00 0.00 C ATOM 0 H LEU A 90 1.573 6.996 -3.904 1.00 0.00 H new ATOM 0 HA LEU A 90 3.704 8.906 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.415 9.661 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.965 8.143 -2.132 1.00 0.00 H new ATOM 0 HG LEU A 90 2.429 8.627 -0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.411 10.884 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.117 10.024 -1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.910 11.304 -1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.112 10.517 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.512 10.907 -0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.075 9.359 -0.125 1.00 0.00 H new ATOM 1387 N CYS A 91 2.916 6.306 -1.345 1.00 0.00 N ATOM 1388 CA CYS A 91 3.376 5.443 -0.276 1.00 0.00 C ATOM 1389 C CYS A 91 4.513 4.509 -0.698 1.00 0.00 C ATOM 1390 O CYS A 91 5.443 4.302 0.087 1.00 0.00 O ATOM 1391 CB CYS A 91 2.178 4.698 0.313 1.00 0.00 C ATOM 1392 SG CYS A 91 0.943 5.873 0.947 1.00 0.00 S ATOM 0 H CYS A 91 1.952 6.124 -1.623 1.00 0.00 H new ATOM 0 HA CYS A 91 3.820 6.064 0.502 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.726 4.064 -0.450 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.510 4.042 1.117 1.00 0.00 H new ATOM 1397 N GLY A 92 4.477 3.991 -1.929 1.00 0.00 N ATOM 1398 CA GLY A 92 5.577 3.217 -2.500 1.00 0.00 C ATOM 1399 C GLY A 92 5.253 1.852 -3.098 1.00 0.00 C ATOM 1400 O GLY A 92 4.143 1.336 -2.985 1.00 0.00 O ATOM 0 H GLY A 92 3.681 4.098 -2.557 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.043 3.821 -3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.324 3.072 -1.720 1.00 0.00 H new ATOM 1404 N LYS A 93 6.278 1.243 -3.704 1.00 0.00 N ATOM 1405 CA LYS A 93 6.250 -0.113 -4.259 1.00 0.00 C ATOM 1406 C LYS A 93 7.180 -1.028 -3.466 1.00 0.00 C ATOM 1407 O LYS A 93 8.390 -0.809 -3.422 1.00 0.00 O ATOM 1408 CB LYS A 93 6.591 -0.081 -5.751 1.00 0.00 C ATOM 1409 CG LYS A 93 6.804 -1.494 -6.334 1.00 0.00 C ATOM 1410 CD LYS A 93 7.093 -1.485 -7.844 1.00 0.00 C ATOM 1411 CE LYS A 93 8.435 -0.821 -8.183 1.00 0.00 C ATOM 1412 NZ LYS A 93 8.707 -0.858 -9.646 1.00 0.00 N ATOM 0 H LYS A 93 7.183 1.698 -3.825 1.00 0.00 H new ATOM 0 HA LYS A 93 5.244 -0.523 -4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.788 0.416 -6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.493 0.512 -5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.633 -1.974 -5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.916 -2.097 -6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.094 -2.509 -8.216 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.290 -0.959 -8.361 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.428 0.213 -7.839 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.239 -1.329 -7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.621 -0.401 -9.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.738 -1.846 -9.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.952 -0.352 -10.152 1.00 0.00 H new ATOM 1426 N ALA A 94 6.604 -2.043 -2.836 1.00 0.00 N ATOM 1427 CA ALA A 94 7.316 -3.000 -1.999 1.00 0.00 C ATOM 1428 C ALA A 94 6.776 -4.439 -2.095 1.00 0.00 C ATOM 1429 O ALA A 94 5.617 -4.654 -2.448 1.00 0.00 O ATOM 1430 CB ALA A 94 7.264 -2.472 -0.563 1.00 0.00 C ATOM 0 H ALA A 94 5.603 -2.229 -2.894 1.00 0.00 H new ATOM 0 HA ALA A 94 8.344 -3.079 -2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.788 -3.163 0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.742 -1.493 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.225 -2.384 -0.245 1.00 0.00 H new ATOM 1436 N GLU A 95 7.608 -5.427 -1.759 1.00 0.00 N ATOM 1437 CA GLU A 95 7.231 -6.847 -1.706 1.00 0.00 C ATOM 1438 C GLU A 95 8.057 -7.596 -0.644 1.00 0.00 C ATOM 1439 O GLU A 95 9.266 -7.385 -0.531 1.00 0.00 O ATOM 1440 CB GLU A 95 7.418 -7.466 -3.102 1.00 0.00 C ATOM 1441 CG GLU A 95 7.142 -8.971 -3.182 1.00 0.00 C ATOM 1442 CD GLU A 95 7.292 -9.471 -4.632 1.00 0.00 C ATOM 1443 OE1 GLU A 95 6.308 -9.408 -5.410 1.00 0.00 O ATOM 1444 OE2 GLU A 95 8.400 -9.927 -5.011 1.00 0.00 O ATOM 0 H GLU A 95 8.583 -5.262 -1.510 1.00 0.00 H new ATOM 0 HA GLU A 95 6.184 -6.935 -1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.759 -6.953 -3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.440 -7.281 -3.432 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.833 -9.508 -2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.135 -9.182 -2.821 1.00 0.00 H new ATOM 1451 N ASP A 96 7.410 -8.478 0.120 1.00 0.00 N ATOM 1452 CA ASP A 96 8.003 -9.319 1.162 1.00 0.00 C ATOM 1453 C ASP A 96 7.382 -10.722 1.184 1.00 0.00 C ATOM 1454 O ASP A 96 6.206 -10.885 0.851 1.00 0.00 O ATOM 1455 CB ASP A 96 7.809 -8.674 2.546 1.00 0.00 C ATOM 1456 CG ASP A 96 8.885 -9.133 3.545 1.00 0.00 C ATOM 1457 OD1 ASP A 96 10.095 -9.018 3.226 1.00 0.00 O ATOM 1458 OD2 ASP A 96 8.526 -9.612 4.645 1.00 0.00 O ATOM 0 H ASP A 96 6.406 -8.633 0.024 1.00 0.00 H new ATOM 0 HA ASP A 96 9.065 -9.409 0.933 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.842 -7.589 2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.822 -8.930 2.931 1.00 0.00 H new ATOM 1463 N THR A 97 8.131 -11.732 1.632 1.00 0.00 N ATOM 1464 CA THR A 97 7.607 -13.097 1.806 1.00 0.00 C ATOM 1465 C THR A 97 8.076 -13.693 3.137 1.00 0.00 C ATOM 1466 O THR A 97 9.254 -13.580 3.485 1.00 0.00 O ATOM 1467 CB THR A 97 7.984 -14.040 0.649 1.00 0.00 C ATOM 1468 OG1 THR A 97 8.010 -13.388 -0.608 1.00 0.00 O ATOM 1469 CG2 THR A 97 6.973 -15.177 0.519 1.00 0.00 C ATOM 0 H THR A 97 9.114 -11.632 1.885 1.00 0.00 H new ATOM 0 HA THR A 97 6.521 -13.008 1.807 1.00 0.00 H new ATOM 0 HB THR A 97 8.980 -14.408 0.897 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.256 -14.031 -1.305 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.262 -15.829 -0.305 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.951 -15.752 1.445 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.983 -14.763 0.325 1.00 0.00 H new ATOM 1477 N ILE A 98 7.161 -14.317 3.891 1.00 0.00 N ATOM 1478 CA ILE A 98 7.414 -14.904 5.218 1.00 0.00 C ATOM 1479 C ILE A 98 7.068 -16.390 5.226 1.00 0.00 C ATOM 1480 O ILE A 98 5.934 -16.757 4.937 1.00 0.00 O ATOM 1481 CB ILE A 98 6.570 -14.205 6.311 1.00 0.00 C ATOM 1482 CG1 ILE A 98 6.520 -12.672 6.142 1.00 0.00 C ATOM 1483 CG2 ILE A 98 7.105 -14.588 7.698 1.00 0.00 C ATOM 1484 CD1 ILE A 98 5.783 -11.914 7.255 1.00 0.00 C ATOM 0 H ILE A 98 6.194 -14.432 3.587 1.00 0.00 H new ATOM 0 HA ILE A 98 8.474 -14.765 5.431 1.00 0.00 H new ATOM 0 HB ILE A 98 5.543 -14.554 6.206 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.541 -12.296 6.083 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.041 -12.443 5.190 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.510 -14.095 8.466 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.041 -15.668 7.827 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.145 -14.273 7.787 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.804 -10.845 7.043 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.748 -12.254 7.303 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.272 -12.104 8.210 1.00 0.00 H new ATOM 1496 N SER A 99 7.992 -17.252 5.625 1.00 0.00 N ATOM 1497 CA SER A 99 7.720 -18.687 5.786 1.00 0.00 C ATOM 1498 C SER A 99 7.057 -18.932 7.148 1.00 0.00 C ATOM 1499 O SER A 99 7.486 -18.379 8.165 1.00 0.00 O ATOM 1500 CB SER A 99 8.993 -19.514 5.591 1.00 0.00 C ATOM 1501 OG SER A 99 10.058 -19.048 6.407 1.00 0.00 O ATOM 0 H SER A 99 8.951 -16.985 5.848 1.00 0.00 H new ATOM 0 HA SER A 99 7.025 -19.016 5.013 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.787 -20.558 5.825 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.294 -19.475 4.544 1.00 0.00 H new ATOM 0 HG SER A 99 10.852 -19.602 6.256 1.00 0.00 H new ATOM 1507 N ILE A 100 5.989 -19.733 7.176 1.00 0.00 N ATOM 1508 CA ILE A 100 5.182 -20.009 8.378 1.00 0.00 C ATOM 1509 C ILE A 100 4.887 -21.508 8.581 1.00 0.00 C ATOM 1510 O ILE A 100 5.349 -22.372 7.834 1.00 0.00 O ATOM 1511 CB ILE A 100 3.912 -19.106 8.416 1.00 0.00 C ATOM 1512 CG1 ILE A 100 2.965 -19.181 7.195 1.00 0.00 C ATOM 1513 CG2 ILE A 100 4.322 -17.633 8.607 1.00 0.00 C ATOM 1514 CD1 ILE A 100 2.177 -20.489 7.064 1.00 0.00 C ATOM 0 H ILE A 100 5.650 -20.221 6.347 1.00 0.00 H new ATOM 0 HA ILE A 100 5.785 -19.738 9.245 1.00 0.00 H new ATOM 0 HB ILE A 100 3.342 -19.505 9.255 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.258 -18.353 7.251 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.553 -19.037 6.289 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.430 -17.007 8.633 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.867 -17.526 9.545 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.959 -17.322 7.779 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.543 -20.444 6.179 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.871 -21.324 6.971 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.556 -20.630 7.949 1.00 0.00 H new ATOM 1526 N LEU A 101 4.131 -21.815 9.637 1.00 0.00 N ATOM 1527 CA LEU A 101 3.727 -23.150 10.081 1.00 0.00 C ATOM 1528 C LEU A 101 2.231 -23.150 10.462 1.00 0.00 C ATOM 1529 O LEU A 101 1.676 -22.073 10.708 1.00 0.00 O ATOM 1530 CB LEU A 101 4.596 -23.482 11.313 1.00 0.00 C ATOM 1531 CG LEU A 101 6.078 -23.792 11.018 1.00 0.00 C ATOM 1532 CD1 LEU A 101 6.829 -23.974 12.337 1.00 0.00 C ATOM 1533 CD2 LEU A 101 6.253 -25.069 10.193 1.00 0.00 C ATOM 0 H LEU A 101 3.759 -21.087 10.247 1.00 0.00 H new ATOM 0 HA LEU A 101 3.865 -23.890 9.293 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.550 -22.641 12.005 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.158 -24.340 11.824 1.00 0.00 H new ATOM 0 HG LEU A 101 6.474 -22.954 10.444 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.877 -24.193 12.132 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.758 -23.059 12.925 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.388 -24.800 12.896 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.314 -25.243 10.012 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.834 -25.915 10.738 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.736 -24.960 9.240 1.00 0.00 H new ATOM 1545 N PRO A 102 1.564 -24.321 10.568 1.00 0.00 N ATOM 1546 CA PRO A 102 0.150 -24.405 10.967 1.00 0.00 C ATOM 1547 C PRO A 102 -0.138 -23.836 12.373 1.00 0.00 C ATOM 1548 O PRO A 102 -1.284 -23.508 12.684 1.00 0.00 O ATOM 1549 CB PRO A 102 -0.229 -25.885 10.839 1.00 0.00 C ATOM 1550 CG PRO A 102 1.105 -26.618 10.970 1.00 0.00 C ATOM 1551 CD PRO A 102 2.091 -25.656 10.313 1.00 0.00 C ATOM 0 HA PRO A 102 -0.463 -23.777 10.320 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.929 -26.187 11.618 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -0.707 -26.094 9.882 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.360 -26.808 12.012 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.086 -27.584 10.465 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.090 -25.770 10.734 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.172 -25.848 9.243 1.00 0.00 H new ATOM 1559 N ASP A 103 0.895 -23.663 13.207 1.00 0.00 N ATOM 1560 CA ASP A 103 0.824 -23.031 14.534 1.00 0.00 C ATOM 1561 C ASP A 103 0.675 -21.486 14.459 1.00 0.00 C ATOM 1562 O ASP A 103 0.532 -20.820 15.485 1.00 0.00 O ATOM 1563 CB ASP A 103 2.090 -23.430 15.312 1.00 0.00 C ATOM 1564 CG ASP A 103 2.017 -23.078 16.811 1.00 0.00 C ATOM 1565 OD1 ASP A 103 1.088 -23.561 17.504 1.00 0.00 O ATOM 1566 OD2 ASP A 103 2.919 -22.366 17.314 1.00 0.00 O ATOM 0 H ASP A 103 1.838 -23.970 12.969 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.071 -23.384 15.047 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.252 -24.503 15.205 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.953 -22.932 14.870 1.00 0.00 H new ATOM 1571 N ASP A 104 0.701 -20.911 13.248 1.00 0.00 N ATOM 1572 CA ASP A 104 0.588 -19.475 12.938 1.00 0.00 C ATOM 1573 C ASP A 104 1.579 -18.559 13.715 1.00 0.00 C ATOM 1574 O ASP A 104 1.153 -17.612 14.388 1.00 0.00 O ATOM 1575 CB ASP A 104 -0.897 -19.069 13.040 1.00 0.00 C ATOM 1576 CG ASP A 104 -1.212 -17.682 12.460 1.00 0.00 C ATOM 1577 OD1 ASP A 104 -0.476 -17.187 11.577 1.00 0.00 O ATOM 1578 OD2 ASP A 104 -2.240 -17.081 12.854 1.00 0.00 O ATOM 0 H ASP A 104 0.808 -21.472 12.403 1.00 0.00 H new ATOM 0 HA ASP A 104 0.918 -19.312 11.912 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.502 -19.813 12.522 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -1.196 -19.089 14.088 1.00 0.00 H new ATOM 1583 N PRO A 105 2.908 -18.824 13.663 1.00 0.00 N ATOM 1584 CA PRO A 105 3.923 -18.056 14.399 1.00 0.00 C ATOM 1585 C PRO A 105 4.260 -16.673 13.805 1.00 0.00 C ATOM 1586 O PRO A 105 4.736 -15.802 14.535 1.00 0.00 O ATOM 1587 CB PRO A 105 5.165 -18.954 14.390 1.00 0.00 C ATOM 1588 CG PRO A 105 5.056 -19.690 13.056 1.00 0.00 C ATOM 1589 CD PRO A 105 3.548 -19.909 12.926 1.00 0.00 C ATOM 0 HA PRO A 105 3.545 -17.820 15.394 1.00 0.00 H new ATOM 0 HB2 PRO A 105 6.084 -18.371 14.454 1.00 0.00 H new ATOM 0 HB3 PRO A 105 5.167 -19.646 15.232 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.453 -19.098 12.231 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.604 -20.632 13.065 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.243 -19.900 11.880 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.260 -20.878 13.334 1.00 0.00 H new ATOM 1597 N ARG A 106 4.030 -16.462 12.495 1.00 0.00 N ATOM 1598 CA ARG A 106 4.301 -15.213 11.734 1.00 0.00 C ATOM 1599 C ARG A 106 5.700 -14.599 11.966 1.00 0.00 C ATOM 1600 O ARG A 106 5.856 -13.377 11.959 1.00 0.00 O ATOM 1601 CB ARG A 106 3.161 -14.194 11.962 1.00 0.00 C ATOM 1602 CG ARG A 106 1.766 -14.785 11.719 1.00 0.00 C ATOM 1603 CD ARG A 106 0.673 -13.718 11.827 1.00 0.00 C ATOM 1604 NE ARG A 106 -0.653 -14.353 11.851 1.00 0.00 N ATOM 1605 CZ ARG A 106 -1.827 -13.766 11.957 1.00 0.00 C ATOM 1606 NH1 ARG A 106 -1.968 -12.469 11.926 1.00 0.00 N ATOM 1607 NH2 ARG A 106 -2.891 -14.493 12.112 1.00 0.00 N ATOM 0 H ARG A 106 3.630 -17.190 11.903 1.00 0.00 H new ATOM 0 HA ARG A 106 4.320 -15.495 10.681 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.217 -13.819 12.984 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.307 -13.340 11.300 1.00 0.00 H new ATOM 0 HG2 ARG A 106 1.732 -15.243 10.730 1.00 0.00 H new ATOM 0 HG3 ARG A 106 1.575 -15.577 12.443 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.818 -13.128 12.732 1.00 0.00 H new ATOM 0 HD3 ARG A 106 0.740 -13.031 10.984 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.665 -15.370 11.777 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.150 -11.870 11.816 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.896 -12.055 12.012 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.813 -15.509 12.151 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.805 -14.048 12.195 1.00 0.00 H new ATOM 1621 N GLN A 107 6.716 -15.444 12.179 1.00 0.00 N ATOM 1622 CA GLN A 107 8.116 -15.076 12.464 1.00 0.00 C ATOM 1623 C GLN A 107 8.245 -13.914 13.464 1.00 0.00 C ATOM 1624 O GLN A 107 8.604 -14.117 14.632 1.00 0.00 O ATOM 1625 CB GLN A 107 8.870 -14.752 11.159 1.00 0.00 C ATOM 1626 CG GLN A 107 8.967 -15.927 10.169 1.00 0.00 C ATOM 1627 CD GLN A 107 9.781 -17.121 10.675 1.00 0.00 C ATOM 1628 OE1 GLN A 107 10.634 -17.027 11.550 1.00 0.00 O ATOM 1629 NE2 GLN A 107 9.546 -18.300 10.143 1.00 0.00 N ATOM 0 H GLN A 107 6.581 -16.455 12.157 1.00 0.00 H new ATOM 0 HA GLN A 107 8.572 -15.945 12.937 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.373 -13.917 10.665 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.878 -14.420 11.409 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.960 -16.267 9.929 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.412 -15.568 9.241 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.840 -18.399 9.414 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.070 -19.116 10.460 1.00 0.00 H new TER 1638 GLN A 107 HETATM 1639 ZN ZN A 108 -1.722 17.539 -6.392 1.00 0.00 ZN HETATM 1640 ZN ZN A 109 -4.140 20.166 -3.640 1.00 0.00 ZN HETATM 1641 ZN ZN A 110 -0.545 5.343 -0.691 1.00 0.00 ZN