USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 692 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 CYS SG : rot 153:sc= 0.965 USER MOD Set 1.2: A 75 CYS SG : rot -56:sc= -0.771 USER MOD Set 1.3: A 98 CYS SG : rot -132:sc= 0.603 USER MOD Set 1.4: A 101 CYS SG : rot 95:sc= -2.74 USER MOD Set 2.1: A 57 CYS SG : rot 137:sc= 1.3 USER MOD Set 2.2: A 59 ASN :FLIP amide:sc= -1.47! X(o=-4.4,f=-4!) USER MOD Set 2.3: A 60 CYS SG : rot -58:sc= -1.09 USER MOD Set 2.4: A 69 MET CE :methyl -99:sc= -0.148 (180deg=-1.39!) USER MOD Set 2.5: A 80 HIS :FLIP no HD1:sc= -1.49 F(o=-4.5!,f=-4) USER MOD Set 2.6: A 83 CYS SG : rot 60:sc= -1.07 USER MOD Set 3.1: A 30 GLN : amide:sc= -0.022 X(o=-0.015,f=-0.44) USER MOD Set 3.2: A 32 TYR OH : rot -77:sc= 0.00686 USER MOD Set 4.1: A 25 CYS SG : rot 146:sc= 1.59 USER MOD Set 4.2: A 28 CYS SG : rot -57:sc= 0.142 USER MOD Set 4.3: A 51 CYS SG : rot -137:sc= -0.637! USER MOD Set 4.4: A 54 CYS SG : rot 122:sc= -1.23 USER MOD Set 5.1: A 27 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 50 GLN :FLIP amide:sc= -0.0218 F(o=-3.1!,f=-0.022) USER MOD Set 6.1: A 10 CYS SG : rot -172:sc= 0.558 USER MOD Set 6.2: A 13 CYS SG : rot -117:sc= -3.09 USER MOD Set 6.3: A 33 HIS : no HD1:sc= -0.678 X(o=-3.2,f=-2.9) USER MOD Set 6.4: A 36 CYS SG : rot 118:sc= 0.037 USER MOD Single : A 9 ASN : amide:sc= -0.235 K(o=-0.24,f=-2.9!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.612 USER MOD Single : A 22 GLN : amide:sc= -10! C(o=-10!,f=-14!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -5.15! C(o=-5.1!,f=-5!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 174:sc= -1.13 USER MOD Single : A 45 LYS NZ :NH3+ 144:sc= 0.985 (180deg=-0.0278) USER MOD Single : A 55 LYS NZ :NH3+ -144:sc= -3.95! (180deg=-5.16!) USER MOD Single : A 58 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ 155:sc= -0.0862 (180deg=-0.942) USER MOD Single : A 62 GLN : amide:sc=-0.00494 K(o=-0.0049,f=-0.57) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -160:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 30:sc= -0.0819 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -127:sc= -2.57 (180deg=-7.96!) USER MOD Single : A 89 LYS NZ :NH3+ -124:sc= -2.02! (180deg=-4.74!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 94 ASN : amide:sc= -3.28! C(o=-3.3!,f=-3.4!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -135:sc= 0.423 (180deg=-0.257) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 8 -17.847 4.497 1.382 1.00 0.00 N ATOM 67 CA ALA A 8 -16.456 4.502 1.817 1.00 0.00 C ATOM 68 C ALA A 8 -16.212 3.446 2.890 1.00 0.00 C ATOM 69 O ALA A 8 -15.353 3.613 3.754 1.00 0.00 O ATOM 70 CB ALA A 8 -16.069 5.881 2.332 1.00 0.00 C ATOM 0 HA ALA A 8 -15.831 4.259 0.957 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -15.028 5.870 2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -16.196 6.615 1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -16.706 6.146 3.175 1.00 0.00 H new ATOM 76 N ASN A 9 -16.975 2.360 2.828 1.00 0.00 N ATOM 77 CA ASN A 9 -16.842 1.277 3.796 1.00 0.00 C ATOM 78 C ASN A 9 -15.530 0.526 3.595 1.00 0.00 C ATOM 79 O ASN A 9 -15.060 0.365 2.468 1.00 0.00 O ATOM 80 CB ASN A 9 -18.021 0.309 3.674 1.00 0.00 C ATOM 81 CG ASN A 9 -19.224 0.758 4.481 1.00 0.00 C ATOM 82 OD1 ASN A 9 -19.091 1.502 5.453 1.00 0.00 O ATOM 83 ND2 ASN A 9 -20.407 0.307 4.080 1.00 0.00 N ATOM 0 H ASN A 9 -17.691 2.206 2.118 1.00 0.00 H new ATOM 0 HA ASN A 9 -16.841 1.714 4.795 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -18.304 0.216 2.626 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -17.711 -0.681 4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -21.253 0.576 4.583 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -20.470 -0.308 3.269 1.00 0.00 H new ATOM 90 N CYS A 10 -14.942 0.067 4.695 1.00 0.00 N ATOM 91 CA CYS A 10 -13.684 -0.668 4.642 1.00 0.00 C ATOM 92 C CYS A 10 -13.763 -1.808 3.631 1.00 0.00 C ATOM 93 O CYS A 10 -14.661 -2.647 3.695 1.00 0.00 O ATOM 94 CB CYS A 10 -13.333 -1.220 6.024 1.00 0.00 C ATOM 95 SG CYS A 10 -11.711 -2.045 6.105 1.00 0.00 S ATOM 0 H CYS A 10 -15.317 0.191 5.635 1.00 0.00 H new ATOM 0 HA CYS A 10 -12.902 0.022 4.325 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -13.349 -0.403 6.745 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.104 -1.928 6.327 1.00 0.00 H new ATOM 0 HG CYS A 10 -11.579 -2.631 7.258 1.00 0.00 H new ATOM 100 N ALA A 11 -12.816 -1.831 2.699 1.00 0.00 N ATOM 101 CA ALA A 11 -12.777 -2.869 1.676 1.00 0.00 C ATOM 102 C ALA A 11 -12.297 -4.195 2.257 1.00 0.00 C ATOM 103 O ALA A 11 -12.104 -5.169 1.530 1.00 0.00 O ATOM 104 CB ALA A 11 -11.879 -2.441 0.524 1.00 0.00 C ATOM 0 H ALA A 11 -12.066 -1.143 2.631 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.790 -3.012 1.300 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.859 -3.225 -0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -12.265 -1.522 0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.869 -2.269 0.895 1.00 0.00 H new ATOM 110 N VAL A 12 -12.107 -4.225 3.573 1.00 0.00 N ATOM 111 CA VAL A 12 -11.651 -5.431 4.252 1.00 0.00 C ATOM 112 C VAL A 12 -12.704 -5.945 5.226 1.00 0.00 C ATOM 113 O VAL A 12 -12.896 -7.153 5.370 1.00 0.00 O ATOM 114 CB VAL A 12 -10.338 -5.182 5.018 1.00 0.00 C ATOM 115 CG1 VAL A 12 -9.741 -6.496 5.497 1.00 0.00 C ATOM 116 CG2 VAL A 12 -9.348 -4.425 4.145 1.00 0.00 C ATOM 0 H VAL A 12 -12.262 -3.427 4.189 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.477 -6.181 3.481 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.559 -4.571 5.893 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.814 -6.300 6.036 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.447 -6.996 6.160 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.533 -7.135 4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.426 -4.257 4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.131 -5.009 3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.777 -3.465 3.856 1.00 0.00 H new ATOM 126 N CYS A 13 -13.386 -5.021 5.894 1.00 0.00 N ATOM 127 CA CYS A 13 -14.422 -5.379 6.855 1.00 0.00 C ATOM 128 C CYS A 13 -15.747 -4.710 6.502 1.00 0.00 C ATOM 129 O CYS A 13 -16.637 -4.588 7.344 1.00 0.00 O ATOM 130 CB CYS A 13 -13.996 -4.977 8.269 1.00 0.00 C ATOM 131 SG CYS A 13 -14.111 -3.189 8.599 1.00 0.00 S ATOM 0 H CYS A 13 -13.239 -4.017 5.787 1.00 0.00 H new ATOM 0 HA CYS A 13 -14.560 -6.460 6.817 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -14.617 -5.509 8.989 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -12.968 -5.301 8.433 1.00 0.00 H new ATOM 0 HG CYS A 13 -12.926 -2.717 8.849 1.00 0.00 H new ATOM 136 N ASP A 14 -15.871 -4.279 5.252 1.00 0.00 N ATOM 137 CA ASP A 14 -17.087 -3.623 4.785 1.00 0.00 C ATOM 138 C ASP A 14 -17.732 -2.814 5.906 1.00 0.00 C ATOM 139 O ASP A 14 -18.951 -2.830 6.075 1.00 0.00 O ATOM 140 CB ASP A 14 -18.078 -4.659 4.253 1.00 0.00 C ATOM 141 CG ASP A 14 -19.363 -4.028 3.754 1.00 0.00 C ATOM 142 OD1 ASP A 14 -19.285 -3.109 2.913 1.00 0.00 O ATOM 143 OD2 ASP A 14 -20.447 -4.453 4.206 1.00 0.00 O ATOM 0 H ASP A 14 -15.144 -4.372 4.543 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.816 -2.942 3.978 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -17.613 -5.219 3.442 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.310 -5.374 5.042 1.00 0.00 H new ATOM 148 N SER A 15 -16.905 -2.108 6.671 1.00 0.00 N ATOM 149 CA SER A 15 -17.394 -1.296 7.779 1.00 0.00 C ATOM 150 C SER A 15 -16.825 0.118 7.709 1.00 0.00 C ATOM 151 O SER A 15 -15.667 0.332 7.350 1.00 0.00 O ATOM 152 CB SER A 15 -17.022 -1.942 9.115 1.00 0.00 C ATOM 153 OG SER A 15 -17.999 -1.668 10.104 1.00 0.00 O ATOM 0 H SER A 15 -15.893 -2.082 6.544 1.00 0.00 H new ATOM 0 HA SER A 15 -18.480 -1.236 7.702 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.923 -3.020 8.986 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.052 -1.570 9.445 1.00 0.00 H new ATOM 0 HG SER A 15 -17.739 -2.093 10.948 1.00 0.00 H new ATOM 159 N PRO A 16 -17.659 1.108 8.061 1.00 0.00 N ATOM 160 CA PRO A 16 -17.263 2.519 8.047 1.00 0.00 C ATOM 161 C PRO A 16 -16.253 2.848 9.141 1.00 0.00 C ATOM 162 O PRO A 16 -15.203 3.431 8.875 1.00 0.00 O ATOM 163 CB PRO A 16 -18.579 3.260 8.293 1.00 0.00 C ATOM 164 CG PRO A 16 -19.432 2.283 9.026 1.00 0.00 C ATOM 165 CD PRO A 16 -19.053 0.926 8.499 1.00 0.00 C ATOM 0 HA PRO A 16 -16.771 2.795 7.114 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.420 4.165 8.879 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -19.043 3.565 7.355 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -19.262 2.346 10.101 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -20.490 2.485 8.858 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -19.136 0.159 9.269 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.697 0.621 7.674 1.00 0.00 H new ATOM 173 N GLY A 17 -16.579 2.470 10.374 1.00 0.00 N ATOM 174 CA GLY A 17 -15.689 2.734 11.490 1.00 0.00 C ATOM 175 C GLY A 17 -15.107 4.133 11.449 1.00 0.00 C ATOM 176 O GLY A 17 -15.839 5.120 11.522 1.00 0.00 O ATOM 0 H GLY A 17 -17.443 1.986 10.620 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -16.233 2.597 12.425 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.878 2.006 11.484 1.00 0.00 H new ATOM 180 N ASP A 18 -13.786 4.219 11.334 1.00 0.00 N ATOM 181 CA ASP A 18 -13.105 5.508 11.285 1.00 0.00 C ATOM 182 C ASP A 18 -12.574 5.788 9.882 1.00 0.00 C ATOM 183 O ASP A 18 -11.836 4.982 9.314 1.00 0.00 O ATOM 184 CB ASP A 18 -11.957 5.541 12.294 1.00 0.00 C ATOM 185 CG ASP A 18 -12.445 5.702 13.721 1.00 0.00 C ATOM 186 OD1 ASP A 18 -12.986 6.780 14.044 1.00 0.00 O ATOM 187 OD2 ASP A 18 -12.285 4.751 14.514 1.00 0.00 O ATOM 0 H ASP A 18 -13.166 3.412 11.273 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.827 6.283 11.543 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.379 4.621 12.212 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.284 6.363 12.048 1.00 0.00 H new ATOM 192 N LEU A 19 -12.955 6.934 9.329 1.00 0.00 N ATOM 193 CA LEU A 19 -12.518 7.321 7.992 1.00 0.00 C ATOM 194 C LEU A 19 -11.192 8.073 8.049 1.00 0.00 C ATOM 195 O LEU A 19 -10.256 7.758 7.314 1.00 0.00 O ATOM 196 CB LEU A 19 -13.582 8.190 7.318 1.00 0.00 C ATOM 197 CG LEU A 19 -14.858 7.470 6.880 1.00 0.00 C ATOM 198 CD1 LEU A 19 -15.988 8.466 6.673 1.00 0.00 C ATOM 199 CD2 LEU A 19 -14.610 6.670 5.610 1.00 0.00 C ATOM 0 H LEU A 19 -13.566 7.612 9.786 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.375 6.413 7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.858 8.990 8.005 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.136 8.662 6.442 1.00 0.00 H new ATOM 0 HG LEU A 19 -15.151 6.778 7.669 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -16.888 7.936 6.362 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -16.183 8.994 7.606 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -15.704 9.183 5.903 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -15.529 6.164 5.313 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.292 7.342 4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -13.831 5.930 5.793 1.00 0.00 H new ATOM 211 N LEU A 20 -11.119 9.066 8.927 1.00 0.00 N ATOM 212 CA LEU A 20 -9.906 9.862 9.083 1.00 0.00 C ATOM 213 C LEU A 20 -8.752 9.004 9.590 1.00 0.00 C ATOM 214 O LEU A 20 -7.584 9.319 9.363 1.00 0.00 O ATOM 215 CB LEU A 20 -10.155 11.024 10.046 1.00 0.00 C ATOM 216 CG LEU A 20 -10.768 12.284 9.435 1.00 0.00 C ATOM 217 CD1 LEU A 20 -9.907 12.794 8.289 1.00 0.00 C ATOM 218 CD2 LEU A 20 -12.187 12.010 8.957 1.00 0.00 C ATOM 0 H LEU A 20 -11.885 9.340 9.542 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.635 10.260 8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.812 10.675 10.843 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.207 11.294 10.510 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.808 13.055 10.204 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.359 13.691 7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.910 13.030 8.660 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.835 12.026 7.518 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.607 12.918 8.525 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.171 11.223 8.203 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.800 11.692 9.800 1.00 0.00 H new ATOM 230 N ASP A 21 -9.088 7.917 10.276 1.00 0.00 N ATOM 231 CA ASP A 21 -8.080 7.010 10.813 1.00 0.00 C ATOM 232 C ASP A 21 -7.554 6.077 9.727 1.00 0.00 C ATOM 233 O ASP A 21 -6.371 5.740 9.704 1.00 0.00 O ATOM 234 CB ASP A 21 -8.662 6.192 11.967 1.00 0.00 C ATOM 235 CG ASP A 21 -7.655 5.225 12.557 1.00 0.00 C ATOM 236 OD1 ASP A 21 -6.856 5.651 13.417 1.00 0.00 O ATOM 237 OD2 ASP A 21 -7.664 4.041 12.158 1.00 0.00 O ATOM 0 H ASP A 21 -10.050 7.643 10.473 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.249 7.610 11.185 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.012 6.868 12.747 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.530 5.636 11.613 1.00 0.00 H new ATOM 242 N GLN A 22 -8.443 5.663 8.829 1.00 0.00 N ATOM 243 CA GLN A 22 -8.068 4.767 7.741 1.00 0.00 C ATOM 244 C GLN A 22 -7.498 5.550 6.563 1.00 0.00 C ATOM 245 O GLN A 22 -7.882 6.695 6.321 1.00 0.00 O ATOM 246 CB GLN A 22 -9.277 3.947 7.287 1.00 0.00 C ATOM 247 CG GLN A 22 -10.202 4.699 6.343 1.00 0.00 C ATOM 248 CD GLN A 22 -11.200 3.788 5.657 1.00 0.00 C ATOM 249 OE1 GLN A 22 -10.826 2.787 5.045 1.00 0.00 O ATOM 250 NE2 GLN A 22 -12.479 4.131 5.755 1.00 0.00 N ATOM 0 H GLN A 22 -9.427 5.933 8.833 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.298 4.090 8.111 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.926 3.041 6.793 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.843 3.634 8.164 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.739 5.466 6.901 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.606 5.213 5.589 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.744 4.969 6.272 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.196 3.556 5.313 1.00 0.00 H new ATOM 259 N PHE A 23 -6.580 4.926 5.832 1.00 0.00 N ATOM 260 CA PHE A 23 -5.956 5.566 4.679 1.00 0.00 C ATOM 261 C PHE A 23 -6.912 5.595 3.490 1.00 0.00 C ATOM 262 O PHE A 23 -7.848 4.799 3.412 1.00 0.00 O ATOM 263 CB PHE A 23 -4.670 4.831 4.296 1.00 0.00 C ATOM 264 CG PHE A 23 -3.728 4.631 5.449 1.00 0.00 C ATOM 265 CD1 PHE A 23 -3.926 3.599 6.352 1.00 0.00 C ATOM 266 CD2 PHE A 23 -2.644 5.475 5.629 1.00 0.00 C ATOM 267 CE1 PHE A 23 -3.061 3.413 7.413 1.00 0.00 C ATOM 268 CE2 PHE A 23 -1.775 5.294 6.689 1.00 0.00 C ATOM 269 CZ PHE A 23 -1.984 4.261 7.582 1.00 0.00 C ATOM 0 H PHE A 23 -6.252 3.978 6.017 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.712 6.593 4.952 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.928 3.859 3.875 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.160 5.392 3.513 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.766 2.932 6.225 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.476 6.284 4.933 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.227 2.605 8.110 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.934 5.959 6.819 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.307 4.117 8.411 1.00 0.00 H new ATOM 279 N PHE A 24 -6.670 6.518 2.566 1.00 0.00 N ATOM 280 CA PHE A 24 -7.509 6.653 1.381 1.00 0.00 C ATOM 281 C PHE A 24 -6.658 6.709 0.116 1.00 0.00 C ATOM 282 O PHE A 24 -6.021 7.722 -0.173 1.00 0.00 O ATOM 283 CB PHE A 24 -8.374 7.911 1.484 1.00 0.00 C ATOM 284 CG PHE A 24 -8.708 8.519 0.152 1.00 0.00 C ATOM 285 CD1 PHE A 24 -9.535 7.855 -0.740 1.00 0.00 C ATOM 286 CD2 PHE A 24 -8.195 9.755 -0.209 1.00 0.00 C ATOM 287 CE1 PHE A 24 -9.845 8.411 -1.967 1.00 0.00 C ATOM 288 CE2 PHE A 24 -8.502 10.316 -1.434 1.00 0.00 C ATOM 289 CZ PHE A 24 -9.327 9.643 -2.315 1.00 0.00 C ATOM 0 H PHE A 24 -5.899 7.184 2.615 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.157 5.779 1.323 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.300 7.664 2.004 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.854 8.651 2.092 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.942 6.891 -0.473 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.548 10.285 0.474 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -10.491 7.883 -2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.097 11.280 -1.703 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.566 10.079 -3.273 1.00 0.00 H new ATOM 299 N CYS A 25 -6.653 5.613 -0.635 1.00 0.00 N ATOM 300 CA CYS A 25 -5.881 5.534 -1.869 1.00 0.00 C ATOM 301 C CYS A 25 -6.179 6.726 -2.774 1.00 0.00 C ATOM 302 O CYS A 25 -7.299 7.237 -2.798 1.00 0.00 O ATOM 303 CB CYS A 25 -6.190 4.230 -2.607 1.00 0.00 C ATOM 304 SG CYS A 25 -5.008 3.827 -3.932 1.00 0.00 S ATOM 0 H CYS A 25 -7.176 4.766 -0.410 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.823 5.553 -1.608 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.204 3.412 -1.887 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.190 4.296 -3.035 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.853 2.538 -3.998 1.00 0.00 H new ATOM 309 N THR A 26 -5.168 7.165 -3.518 1.00 0.00 N ATOM 310 CA THR A 26 -5.321 8.296 -4.424 1.00 0.00 C ATOM 311 C THR A 26 -5.468 7.829 -5.867 1.00 0.00 C ATOM 312 O THR A 26 -5.906 8.586 -6.735 1.00 0.00 O ATOM 313 CB THR A 26 -4.122 9.258 -4.327 1.00 0.00 C ATOM 314 OG1 THR A 26 -2.917 8.578 -4.695 1.00 0.00 O ATOM 315 CG2 THR A 26 -3.986 9.815 -2.918 1.00 0.00 C ATOM 0 H THR A 26 -4.235 6.754 -3.510 1.00 0.00 H new ATOM 0 HA THR A 26 -6.226 8.823 -4.122 1.00 0.00 H new ATOM 0 HB THR A 26 -4.295 10.088 -5.013 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.160 9.197 -4.632 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.132 10.491 -2.875 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.893 10.358 -2.652 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.835 8.995 -2.216 1.00 0.00 H new ATOM 323 N THR A 27 -5.101 6.577 -6.120 1.00 0.00 N ATOM 324 CA THR A 27 -5.191 6.008 -7.459 1.00 0.00 C ATOM 325 C THR A 27 -6.597 5.492 -7.743 1.00 0.00 C ATOM 326 O THR A 27 -7.304 6.025 -8.599 1.00 0.00 O ATOM 327 CB THR A 27 -4.186 4.857 -7.650 1.00 0.00 C ATOM 328 OG1 THR A 27 -2.854 5.326 -7.411 1.00 0.00 O ATOM 329 CG2 THR A 27 -4.283 4.282 -9.055 1.00 0.00 C ATOM 0 H THR A 27 -4.738 5.937 -5.414 1.00 0.00 H new ATOM 0 HA THR A 27 -4.952 6.809 -8.159 1.00 0.00 H new ATOM 0 HB THR A 27 -4.427 4.070 -6.935 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.221 4.588 -7.533 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.564 3.471 -9.166 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.290 3.900 -9.223 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.065 5.063 -9.784 1.00 0.00 H new ATOM 337 N CYS A 28 -6.999 4.453 -7.018 1.00 0.00 N ATOM 338 CA CYS A 28 -8.321 3.865 -7.192 1.00 0.00 C ATOM 339 C CYS A 28 -9.366 4.625 -6.380 1.00 0.00 C ATOM 340 O CYS A 28 -10.487 4.840 -6.838 1.00 0.00 O ATOM 341 CB CYS A 28 -8.306 2.393 -6.773 1.00 0.00 C ATOM 342 SG CYS A 28 -8.053 2.130 -4.988 1.00 0.00 S ATOM 0 H CYS A 28 -6.427 4.001 -6.304 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.586 3.934 -8.247 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -9.250 1.933 -7.067 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.516 1.879 -7.321 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.944 2.698 -4.619 1.00 0.00 H new ATOM 347 N GLY A 29 -8.988 5.030 -5.171 1.00 0.00 N ATOM 348 CA GLY A 29 -9.903 5.762 -4.315 1.00 0.00 C ATOM 349 C GLY A 29 -10.576 4.871 -3.290 1.00 0.00 C ATOM 350 O GLY A 29 -11.708 5.130 -2.882 1.00 0.00 O ATOM 0 H GLY A 29 -8.065 4.864 -4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.359 6.555 -3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.664 6.243 -4.929 1.00 0.00 H new ATOM 354 N GLN A 30 -9.879 3.819 -2.874 1.00 0.00 N ATOM 355 CA GLN A 30 -10.419 2.885 -1.892 1.00 0.00 C ATOM 356 C GLN A 30 -9.951 3.245 -0.486 1.00 0.00 C ATOM 357 O GLN A 30 -8.953 3.945 -0.312 1.00 0.00 O ATOM 358 CB GLN A 30 -9.998 1.455 -2.232 1.00 0.00 C ATOM 359 CG GLN A 30 -10.861 0.805 -3.302 1.00 0.00 C ATOM 360 CD GLN A 30 -12.053 0.069 -2.723 1.00 0.00 C ATOM 361 OE1 GLN A 30 -11.961 -1.109 -2.375 1.00 0.00 O ATOM 362 NE2 GLN A 30 -13.181 0.760 -2.617 1.00 0.00 N ATOM 0 H GLN A 30 -8.940 3.592 -3.201 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.506 2.952 -1.922 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.961 1.460 -2.567 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -10.037 0.849 -1.327 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.213 1.570 -3.994 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.254 0.108 -3.879 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -13.212 1.734 -2.918 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -14.016 0.317 -2.235 1.00 0.00 H new ATOM 371 N HIS A 31 -10.679 2.761 0.516 1.00 0.00 N ATOM 372 CA HIS A 31 -10.338 3.031 1.908 1.00 0.00 C ATOM 373 C HIS A 31 -10.089 1.732 2.669 1.00 0.00 C ATOM 374 O HIS A 31 -10.854 0.775 2.549 1.00 0.00 O ATOM 375 CB HIS A 31 -11.456 3.826 2.584 1.00 0.00 C ATOM 376 CG HIS A 31 -12.176 4.754 1.656 1.00 0.00 C ATOM 377 ND1 HIS A 31 -13.454 4.516 1.195 1.00 0.00 N ATOM 378 CD2 HIS A 31 -11.791 5.928 1.104 1.00 0.00 C ATOM 379 CE1 HIS A 31 -13.823 5.503 0.398 1.00 0.00 C ATOM 380 NE2 HIS A 31 -12.833 6.373 0.326 1.00 0.00 N ATOM 0 H HIS A 31 -11.508 2.180 0.390 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.422 3.621 1.924 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -12.174 3.130 3.018 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.034 4.403 3.407 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.842 6.423 1.248 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -14.773 5.584 -0.109 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -12.840 7.235 -0.219 1.00 0.00 H new ATOM 389 N TYR A 32 -9.015 1.706 3.450 1.00 0.00 N ATOM 390 CA TYR A 32 -8.664 0.523 4.227 1.00 0.00 C ATOM 391 C TYR A 32 -8.248 0.906 5.644 1.00 0.00 C ATOM 392 O TYR A 32 -7.407 1.784 5.841 1.00 0.00 O ATOM 393 CB TYR A 32 -7.533 -0.245 3.542 1.00 0.00 C ATOM 394 CG TYR A 32 -7.891 -0.748 2.162 1.00 0.00 C ATOM 395 CD1 TYR A 32 -7.857 0.099 1.062 1.00 0.00 C ATOM 396 CD2 TYR A 32 -8.263 -2.072 1.959 1.00 0.00 C ATOM 397 CE1 TYR A 32 -8.185 -0.356 -0.201 1.00 0.00 C ATOM 398 CE2 TYR A 32 -8.591 -2.536 0.700 1.00 0.00 C ATOM 399 CZ TYR A 32 -8.551 -1.675 -0.377 1.00 0.00 C ATOM 400 OH TYR A 32 -8.877 -2.132 -1.633 1.00 0.00 O ATOM 0 H TYR A 32 -8.372 2.490 3.562 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.545 -0.116 4.286 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -6.659 0.402 3.468 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.251 -1.093 4.166 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -7.569 1.131 1.196 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.296 -2.749 2.800 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -8.155 0.317 -1.045 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.877 -3.568 0.560 1.00 0.00 H new ATOM 0 HH TYR A 32 -9.783 -1.838 -1.863 1.00 0.00 H new ATOM 410 N HIS A 33 -8.843 0.241 6.629 1.00 0.00 N ATOM 411 CA HIS A 33 -8.535 0.509 8.029 1.00 0.00 C ATOM 412 C HIS A 33 -7.059 0.253 8.319 1.00 0.00 C ATOM 413 O HIS A 33 -6.373 -0.419 7.550 1.00 0.00 O ATOM 414 CB HIS A 33 -9.404 -0.358 8.940 1.00 0.00 C ATOM 415 CG HIS A 33 -10.770 0.208 9.181 1.00 0.00 C ATOM 416 ND1 HIS A 33 -11.903 -0.572 9.269 1.00 0.00 N ATOM 417 CD2 HIS A 33 -11.180 1.486 9.355 1.00 0.00 C ATOM 418 CE1 HIS A 33 -12.952 0.201 9.485 1.00 0.00 C ATOM 419 NE2 HIS A 33 -12.540 1.455 9.542 1.00 0.00 N ATOM 0 H HIS A 33 -9.542 -0.488 6.483 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.749 1.559 8.228 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.503 -1.349 8.498 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.898 -0.485 9.897 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.554 2.366 9.348 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.972 -0.135 9.596 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -13.135 2.268 9.699 1.00 0.00 H new ATOM 427 N GLY A 34 -6.578 0.794 9.434 1.00 0.00 N ATOM 428 CA GLY A 34 -5.186 0.613 9.805 1.00 0.00 C ATOM 429 C GLY A 34 -4.939 -0.713 10.497 1.00 0.00 C ATOM 430 O GLY A 34 -3.811 -1.205 10.523 1.00 0.00 O ATOM 0 H GLY A 34 -7.126 1.354 10.087 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.564 0.675 8.912 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.880 1.426 10.464 1.00 0.00 H new ATOM 434 N MET A 35 -5.994 -1.290 11.061 1.00 0.00 N ATOM 435 CA MET A 35 -5.885 -2.567 11.757 1.00 0.00 C ATOM 436 C MET A 35 -6.248 -3.724 10.832 1.00 0.00 C ATOM 437 O MET A 35 -5.565 -4.748 10.804 1.00 0.00 O ATOM 438 CB MET A 35 -6.792 -2.580 12.989 1.00 0.00 C ATOM 439 CG MET A 35 -6.659 -3.840 13.829 1.00 0.00 C ATOM 440 SD MET A 35 -8.087 -4.120 14.893 1.00 0.00 S ATOM 441 CE MET A 35 -8.978 -5.353 13.945 1.00 0.00 C ATOM 0 H MET A 35 -6.934 -0.894 11.050 1.00 0.00 H new ATOM 0 HA MET A 35 -4.850 -2.691 12.075 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.561 -1.714 13.609 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.828 -2.475 12.668 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.528 -4.699 13.171 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.761 -3.769 14.443 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.890 -5.630 14.474 1.00 0.00 H new ATOM 0 HE2 MET A 35 -9.236 -4.944 12.968 1.00 0.00 H new ATOM 0 HE3 MET A 35 -8.351 -6.235 13.815 1.00 0.00 H new ATOM 451 N CYS A 36 -7.328 -3.554 10.076 1.00 0.00 N ATOM 452 CA CYS A 36 -7.783 -4.584 9.150 1.00 0.00 C ATOM 453 C CYS A 36 -6.651 -5.024 8.226 1.00 0.00 C ATOM 454 O CYS A 36 -6.624 -6.162 7.756 1.00 0.00 O ATOM 455 CB CYS A 36 -8.961 -4.069 8.320 1.00 0.00 C ATOM 456 SG CYS A 36 -10.544 -4.029 9.222 1.00 0.00 S ATOM 0 H CYS A 36 -7.904 -2.712 10.087 1.00 0.00 H new ATOM 0 HA CYS A 36 -8.107 -5.445 9.735 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -8.731 -3.064 7.966 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.073 -4.699 7.438 1.00 0.00 H new ATOM 0 HG CYS A 36 -10.975 -2.804 9.288 1.00 0.00 H new ATOM 461 N LEU A 37 -5.717 -4.114 7.970 1.00 0.00 N ATOM 462 CA LEU A 37 -4.581 -4.407 7.103 1.00 0.00 C ATOM 463 C LEU A 37 -3.299 -4.557 7.917 1.00 0.00 C ATOM 464 O LEU A 37 -2.250 -4.915 7.381 1.00 0.00 O ATOM 465 CB LEU A 37 -4.411 -3.301 6.061 1.00 0.00 C ATOM 466 CG LEU A 37 -5.252 -3.439 4.792 1.00 0.00 C ATOM 467 CD1 LEU A 37 -4.986 -2.278 3.846 1.00 0.00 C ATOM 468 CD2 LEU A 37 -4.967 -4.766 4.104 1.00 0.00 C ATOM 0 H LEU A 37 -5.724 -3.168 8.350 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.778 -5.350 6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.652 -2.347 6.530 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.360 -3.259 5.774 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.305 -3.418 5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.593 -2.394 2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.242 -1.341 4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.931 -2.267 3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.575 -4.846 3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.912 -4.818 3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.210 -5.586 4.780 1.00 0.00 H new ATOM 480 N ASP A 38 -3.392 -4.282 9.213 1.00 0.00 N ATOM 481 CA ASP A 38 -2.241 -4.389 10.102 1.00 0.00 C ATOM 482 C ASP A 38 -1.230 -3.282 9.818 1.00 0.00 C ATOM 483 O ASP A 38 -0.023 -3.482 9.948 1.00 0.00 O ATOM 484 CB ASP A 38 -1.575 -5.757 9.946 1.00 0.00 C ATOM 485 CG ASP A 38 -2.582 -6.889 9.896 1.00 0.00 C ATOM 486 OD1 ASP A 38 -3.720 -6.693 10.372 1.00 0.00 O ATOM 487 OD2 ASP A 38 -2.232 -7.971 9.380 1.00 0.00 O ATOM 0 H ASP A 38 -4.253 -3.983 9.672 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.594 -4.280 11.128 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.978 -5.765 9.034 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.889 -5.921 10.777 1.00 0.00 H new ATOM 492 N ILE A 39 -1.733 -2.115 9.428 1.00 0.00 N ATOM 493 CA ILE A 39 -0.874 -0.977 9.126 1.00 0.00 C ATOM 494 C ILE A 39 -0.877 0.033 10.268 1.00 0.00 C ATOM 495 O ILE A 39 -1.927 0.348 10.829 1.00 0.00 O ATOM 496 CB ILE A 39 -1.311 -0.270 7.829 1.00 0.00 C ATOM 497 CG1 ILE A 39 -1.390 -1.274 6.677 1.00 0.00 C ATOM 498 CG2 ILE A 39 -0.349 0.859 7.491 1.00 0.00 C ATOM 499 CD1 ILE A 39 -1.994 -0.699 5.415 1.00 0.00 C ATOM 0 H ILE A 39 -2.730 -1.933 9.314 1.00 0.00 H new ATOM 0 HA ILE A 39 0.134 -1.369 8.994 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.302 0.158 7.982 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.388 -1.641 6.456 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.981 -2.133 6.994 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.671 1.349 6.572 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.339 1.584 8.305 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.654 0.454 7.354 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.018 -1.466 4.641 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.009 -0.358 5.620 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.391 0.142 5.073 1.00 0.00 H new ATOM 511 N ALA A 40 0.304 0.540 10.607 1.00 0.00 N ATOM 512 CA ALA A 40 0.437 1.517 11.680 1.00 0.00 C ATOM 513 C ALA A 40 0.211 2.934 11.162 1.00 0.00 C ATOM 514 O ALA A 40 0.946 3.415 10.300 1.00 0.00 O ATOM 515 CB ALA A 40 1.807 1.403 12.331 1.00 0.00 C ATOM 0 H ALA A 40 1.183 0.290 10.153 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.327 1.305 12.428 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.892 2.139 13.131 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.931 0.402 12.744 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.581 1.586 11.585 1.00 0.00 H new ATOM 521 N VAL A 41 -0.811 3.597 11.694 1.00 0.00 N ATOM 522 CA VAL A 41 -1.133 4.959 11.287 1.00 0.00 C ATOM 523 C VAL A 41 0.011 5.915 11.608 1.00 0.00 C ATOM 524 O VAL A 41 0.144 6.384 12.739 1.00 0.00 O ATOM 525 CB VAL A 41 -2.416 5.462 11.975 1.00 0.00 C ATOM 526 CG1 VAL A 41 -2.703 6.904 11.582 1.00 0.00 C ATOM 527 CG2 VAL A 41 -3.593 4.562 11.630 1.00 0.00 C ATOM 0 H VAL A 41 -1.430 3.213 12.408 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.292 4.937 10.209 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.266 5.428 13.054 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.613 7.242 12.078 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.869 7.537 11.885 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.833 6.968 10.502 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.491 4.932 12.124 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.747 4.562 10.551 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.386 3.546 11.967 1.00 0.00 H new ATOM 537 N THR A 42 0.836 6.200 10.605 1.00 0.00 N ATOM 538 CA THR A 42 1.970 7.099 10.780 1.00 0.00 C ATOM 539 C THR A 42 1.808 8.358 9.937 1.00 0.00 C ATOM 540 O THR A 42 1.111 8.370 8.922 1.00 0.00 O ATOM 541 CB THR A 42 3.296 6.410 10.405 1.00 0.00 C ATOM 542 OG1 THR A 42 3.189 5.817 9.106 1.00 0.00 O ATOM 543 CG2 THR A 42 3.660 5.344 11.427 1.00 0.00 C ATOM 0 H THR A 42 0.740 5.821 9.663 1.00 0.00 H new ATOM 0 HA THR A 42 1.997 7.373 11.835 1.00 0.00 H new ATOM 0 HB THR A 42 4.083 7.165 10.396 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.063 5.466 8.834 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.600 4.872 11.141 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.769 5.804 12.409 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.872 4.592 11.464 1.00 0.00 H new ATOM 551 N PRO A 43 2.466 9.446 10.365 1.00 0.00 N ATOM 552 CA PRO A 43 2.411 10.731 9.662 1.00 0.00 C ATOM 553 C PRO A 43 3.144 10.693 8.325 1.00 0.00 C ATOM 554 O PRO A 43 3.256 11.709 7.638 1.00 0.00 O ATOM 555 CB PRO A 43 3.110 11.693 10.627 1.00 0.00 C ATOM 556 CG PRO A 43 4.015 10.828 11.434 1.00 0.00 C ATOM 557 CD PRO A 43 3.315 9.504 11.567 1.00 0.00 C ATOM 0 HA PRO A 43 1.388 11.018 9.417 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.670 12.457 10.088 1.00 0.00 H new ATOM 0 HB3 PRO A 43 2.390 12.212 11.260 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.982 10.711 10.944 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.205 11.269 12.413 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.023 8.676 11.599 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.723 9.452 12.481 1.00 0.00 H new ATOM 565 N LEU A 44 3.640 9.516 7.962 1.00 0.00 N ATOM 566 CA LEU A 44 4.362 9.345 6.706 1.00 0.00 C ATOM 567 C LEU A 44 3.474 8.693 5.651 1.00 0.00 C ATOM 568 O LEU A 44 3.364 9.182 4.527 1.00 0.00 O ATOM 569 CB LEU A 44 5.617 8.497 6.927 1.00 0.00 C ATOM 570 CG LEU A 44 6.608 8.449 5.763 1.00 0.00 C ATOM 571 CD1 LEU A 44 7.812 7.593 6.123 1.00 0.00 C ATOM 572 CD2 LEU A 44 5.930 7.919 4.508 1.00 0.00 C ATOM 0 H LEU A 44 3.556 8.666 8.519 1.00 0.00 H new ATOM 0 HA LEU A 44 4.656 10.332 6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.138 8.877 7.806 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.307 7.478 7.156 1.00 0.00 H new ATOM 0 HG LEU A 44 6.956 9.463 5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.506 7.570 5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.311 8.015 6.995 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.483 6.579 6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.650 7.892 3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.554 6.913 4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.100 8.572 4.239 1.00 0.00 H new ATOM 584 N LYS A 45 2.839 7.586 6.022 1.00 0.00 N ATOM 585 CA LYS A 45 1.956 6.867 5.111 1.00 0.00 C ATOM 586 C LYS A 45 0.768 7.734 4.708 1.00 0.00 C ATOM 587 O LYS A 45 0.527 7.962 3.522 1.00 0.00 O ATOM 588 CB LYS A 45 1.460 5.574 5.762 1.00 0.00 C ATOM 589 CG LYS A 45 2.257 4.346 5.358 1.00 0.00 C ATOM 590 CD LYS A 45 1.999 3.180 6.298 1.00 0.00 C ATOM 591 CE LYS A 45 3.064 3.090 7.380 1.00 0.00 C ATOM 592 NZ LYS A 45 3.081 1.751 8.032 1.00 0.00 N ATOM 0 H LYS A 45 2.920 7.167 6.948 1.00 0.00 H new ATOM 0 HA LYS A 45 2.524 6.620 4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.501 5.683 6.846 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.414 5.421 5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.994 4.059 4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.320 4.585 5.357 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.018 3.294 6.760 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.977 2.251 5.729 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.042 3.294 6.945 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.883 3.858 8.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.061 1.489 8.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.517 1.783 8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.677 1.044 7.385 1.00 0.00 H new ATOM 606 N ARG A 46 0.029 8.217 5.702 1.00 0.00 N ATOM 607 CA ARG A 46 -1.134 9.059 5.450 1.00 0.00 C ATOM 608 C ARG A 46 -0.859 10.040 4.314 1.00 0.00 C ATOM 609 O ARG A 46 -1.752 10.364 3.531 1.00 0.00 O ATOM 610 CB ARG A 46 -1.519 9.825 6.717 1.00 0.00 C ATOM 611 CG ARG A 46 -1.944 8.926 7.867 1.00 0.00 C ATOM 612 CD ARG A 46 -2.005 9.691 9.179 1.00 0.00 C ATOM 613 NE ARG A 46 -3.223 10.490 9.291 1.00 0.00 N ATOM 614 CZ ARG A 46 -3.338 11.725 8.814 1.00 0.00 C ATOM 615 NH1 ARG A 46 -2.315 12.298 8.196 1.00 0.00 N ATOM 616 NH2 ARG A 46 -4.479 12.387 8.954 1.00 0.00 N ATOM 0 H ARG A 46 0.215 8.039 6.689 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.962 8.414 5.157 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.672 10.432 7.036 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.333 10.511 6.483 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.921 8.494 7.651 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.243 8.097 7.960 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.955 8.988 10.011 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.135 10.343 9.259 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.029 10.077 9.761 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.437 11.791 8.086 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.406 13.246 7.831 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.268 11.948 9.428 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.567 13.335 8.588 1.00 0.00 H new ATOM 630 N ALA A 47 0.381 10.509 4.231 1.00 0.00 N ATOM 631 CA ALA A 47 0.774 11.451 3.190 1.00 0.00 C ATOM 632 C ALA A 47 0.731 10.797 1.813 1.00 0.00 C ATOM 633 O ALA A 47 1.757 10.372 1.285 1.00 0.00 O ATOM 634 CB ALA A 47 2.165 12.000 3.472 1.00 0.00 C ATOM 0 H ALA A 47 1.131 10.252 4.872 1.00 0.00 H new ATOM 0 HA ALA A 47 0.062 12.276 3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.445 12.702 2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.166 12.513 4.434 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.882 11.179 3.498 1.00 0.00 H new ATOM 640 N GLY A 48 -0.465 10.720 1.237 1.00 0.00 N ATOM 641 CA GLY A 48 -0.620 10.116 -0.073 1.00 0.00 C ATOM 642 C GLY A 48 -0.503 8.605 -0.033 1.00 0.00 C ATOM 643 O GLY A 48 0.143 8.003 -0.891 1.00 0.00 O ATOM 0 H GLY A 48 -1.329 11.065 1.655 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.591 10.391 -0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.137 10.518 -0.747 1.00 0.00 H new ATOM 647 N TRP A 49 -1.126 7.992 0.967 1.00 0.00 N ATOM 648 CA TRP A 49 -1.087 6.542 1.117 1.00 0.00 C ATOM 649 C TRP A 49 -1.753 5.854 -0.070 1.00 0.00 C ATOM 650 O TRP A 49 -2.835 6.251 -0.501 1.00 0.00 O ATOM 651 CB TRP A 49 -1.777 6.124 2.416 1.00 0.00 C ATOM 652 CG TRP A 49 -1.870 4.638 2.588 1.00 0.00 C ATOM 653 CD1 TRP A 49 -0.929 3.816 3.139 1.00 0.00 C ATOM 654 CD2 TRP A 49 -2.965 3.799 2.206 1.00 0.00 C ATOM 655 NE1 TRP A 49 -1.373 2.515 3.121 1.00 0.00 N ATOM 656 CE2 TRP A 49 -2.619 2.478 2.555 1.00 0.00 C ATOM 657 CE3 TRP A 49 -4.204 4.034 1.604 1.00 0.00 C ATOM 658 CZ2 TRP A 49 -3.468 1.400 2.320 1.00 0.00 C ATOM 659 CZ3 TRP A 49 -5.046 2.962 1.372 1.00 0.00 C ATOM 660 CH2 TRP A 49 -4.675 1.659 1.730 1.00 0.00 C ATOM 0 H TRP A 49 -1.664 8.476 1.686 1.00 0.00 H new ATOM 0 HA TRP A 49 -0.042 6.234 1.153 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -1.233 6.547 3.260 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.781 6.549 2.439 1.00 0.00 H new ATOM 0 HD1 TRP A 49 0.024 4.140 3.531 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.858 1.708 3.472 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.499 5.035 1.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.184 0.395 2.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.006 3.132 0.907 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.355 0.843 1.536 1.00 0.00 H new ATOM 671 N GLN A 50 -1.100 4.821 -0.593 1.00 0.00 N ATOM 672 CA GLN A 50 -1.630 4.079 -1.731 1.00 0.00 C ATOM 673 C GLN A 50 -1.945 2.639 -1.342 1.00 0.00 C ATOM 674 O GLN A 50 -1.079 1.912 -0.855 1.00 0.00 O ATOM 675 CB GLN A 50 -0.632 4.101 -2.890 1.00 0.00 C ATOM 676 CG GLN A 50 -1.292 4.155 -4.259 1.00 0.00 C ATOM 677 CD GLN A 50 -0.285 4.262 -5.388 1.00 0.00 C ATOM 678 OE1 GLN A 50 -0.345 3.324 -6.326 1.00 0.00 O flip ATOM 679 NE2 GLN A 50 0.538 5.178 -5.416 1.00 0.00 N flip ATOM 0 H GLN A 50 -0.203 4.479 -0.247 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.555 4.561 -2.049 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.024 4.964 -2.778 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.003 3.213 -2.834 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.898 3.260 -4.401 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.969 5.009 -4.299 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.548 5.877 -4.674 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.209 5.237 -6.182 1.00 0.00 H new ATOM 688 N CYS A 51 -3.192 2.232 -1.559 1.00 0.00 N ATOM 689 CA CYS A 51 -3.623 0.878 -1.231 1.00 0.00 C ATOM 690 C CYS A 51 -2.667 -0.155 -1.820 1.00 0.00 C ATOM 691 O CYS A 51 -1.926 0.116 -2.766 1.00 0.00 O ATOM 692 CB CYS A 51 -5.041 0.632 -1.750 1.00 0.00 C ATOM 693 SG CYS A 51 -5.114 0.123 -3.498 1.00 0.00 S ATOM 0 H CYS A 51 -3.922 2.821 -1.961 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.618 0.774 -0.146 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.512 -0.138 -1.138 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.626 1.543 -1.623 1.00 0.00 H new ATOM 0 HG CYS A 51 -6.085 0.751 -4.093 1.00 0.00 H new ATOM 698 N PRO A 52 -2.683 -1.369 -1.250 1.00 0.00 N ATOM 699 CA PRO A 52 -1.824 -2.468 -1.703 1.00 0.00 C ATOM 700 C PRO A 52 -2.235 -2.998 -3.072 1.00 0.00 C ATOM 701 O PRO A 52 -1.508 -3.775 -3.690 1.00 0.00 O ATOM 702 CB PRO A 52 -2.027 -3.541 -0.631 1.00 0.00 C ATOM 703 CG PRO A 52 -3.373 -3.255 -0.058 1.00 0.00 C ATOM 704 CD PRO A 52 -3.540 -1.762 -0.120 1.00 0.00 C ATOM 0 HA PRO A 52 -0.787 -2.154 -1.820 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.984 -4.542 -1.060 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.252 -3.488 0.134 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.154 -3.759 -0.627 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.444 -3.613 0.969 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.580 -1.481 -0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.226 -1.284 0.808 1.00 0.00 H new ATOM 712 N GLU A 53 -3.405 -2.572 -3.540 1.00 0.00 N ATOM 713 CA GLU A 53 -3.911 -3.006 -4.837 1.00 0.00 C ATOM 714 C GLU A 53 -3.434 -2.073 -5.946 1.00 0.00 C ATOM 715 O GLU A 53 -3.490 -2.416 -7.128 1.00 0.00 O ATOM 716 CB GLU A 53 -5.440 -3.057 -4.821 1.00 0.00 C ATOM 717 CG GLU A 53 -6.007 -3.972 -3.748 1.00 0.00 C ATOM 718 CD GLU A 53 -6.209 -5.393 -4.240 1.00 0.00 C ATOM 719 OE1 GLU A 53 -5.345 -5.886 -4.995 1.00 0.00 O ATOM 720 OE2 GLU A 53 -7.229 -6.010 -3.871 1.00 0.00 O ATOM 0 H GLU A 53 -4.019 -1.928 -3.041 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.523 -4.005 -5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.827 -2.049 -4.669 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.794 -3.391 -5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.334 -3.981 -2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.960 -3.572 -3.401 1.00 0.00 H new ATOM 727 N CYS A 54 -2.966 -0.892 -5.558 1.00 0.00 N ATOM 728 CA CYS A 54 -2.480 0.092 -6.518 1.00 0.00 C ATOM 729 C CYS A 54 -0.981 0.322 -6.349 1.00 0.00 C ATOM 730 O CYS A 54 -0.295 0.732 -7.286 1.00 0.00 O ATOM 731 CB CYS A 54 -3.232 1.414 -6.350 1.00 0.00 C ATOM 732 SG CYS A 54 -4.967 1.357 -6.902 1.00 0.00 S ATOM 0 H CYS A 54 -2.913 -0.593 -4.584 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.660 -0.296 -7.521 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.205 1.704 -5.300 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.709 2.191 -6.908 1.00 0.00 H new ATOM 0 HG CYS A 54 -5.748 1.680 -5.914 1.00 0.00 H new ATOM 737 N LYS A 55 -0.479 0.055 -5.148 1.00 0.00 N ATOM 738 CA LYS A 55 0.939 0.231 -4.855 1.00 0.00 C ATOM 739 C LYS A 55 1.782 -0.790 -5.612 1.00 0.00 C ATOM 740 O LYS A 55 1.405 -1.956 -5.731 1.00 0.00 O ATOM 741 CB LYS A 55 1.190 0.100 -3.351 1.00 0.00 C ATOM 742 CG LYS A 55 2.538 -0.510 -3.010 1.00 0.00 C ATOM 743 CD LYS A 55 2.626 -0.883 -1.540 1.00 0.00 C ATOM 744 CE LYS A 55 3.562 -2.062 -1.319 1.00 0.00 C ATOM 745 NZ LYS A 55 4.217 -2.007 0.017 1.00 0.00 N ATOM 0 H LYS A 55 -1.033 -0.284 -4.362 1.00 0.00 H new ATOM 0 HA LYS A 55 1.230 1.230 -5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.121 1.086 -2.892 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.402 -0.512 -2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.702 -1.397 -3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.331 0.197 -3.255 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.978 -0.025 -0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.632 -1.131 -1.166 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.002 -2.993 -1.411 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.325 -2.071 -2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.191 -2.365 -0.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.235 -1.023 0.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.684 -2.594 0.690 1.00 0.00 H new ATOM 759 N VAL A 56 2.926 -0.344 -6.122 1.00 0.00 N ATOM 760 CA VAL A 56 3.823 -1.220 -6.866 1.00 0.00 C ATOM 761 C VAL A 56 5.248 -0.678 -6.862 1.00 0.00 C ATOM 762 O VAL A 56 5.491 0.459 -6.456 1.00 0.00 O ATOM 763 CB VAL A 56 3.357 -1.395 -8.324 1.00 0.00 C ATOM 764 CG1 VAL A 56 1.897 -1.819 -8.370 1.00 0.00 C ATOM 765 CG2 VAL A 56 3.573 -0.111 -9.110 1.00 0.00 C ATOM 0 H VAL A 56 3.253 0.618 -6.033 1.00 0.00 H new ATOM 0 HA VAL A 56 3.804 -2.189 -6.368 1.00 0.00 H new ATOM 0 HB VAL A 56 3.954 -2.181 -8.786 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.585 -1.938 -9.408 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.776 -2.766 -7.844 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.282 -1.057 -7.891 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.238 -0.253 -10.138 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.003 0.697 -8.651 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.633 0.144 -9.106 1.00 0.00 H new ATOM 775 N CYS A 57 6.189 -1.499 -7.317 1.00 0.00 N ATOM 776 CA CYS A 57 7.591 -1.103 -7.366 1.00 0.00 C ATOM 777 C CYS A 57 7.765 0.186 -8.164 1.00 0.00 C ATOM 778 O CYS A 57 7.326 0.282 -9.310 1.00 0.00 O ATOM 779 CB CYS A 57 8.436 -2.217 -7.987 1.00 0.00 C ATOM 780 SG CYS A 57 10.228 -1.890 -7.970 1.00 0.00 S ATOM 0 H CYS A 57 6.005 -2.443 -7.657 1.00 0.00 H new ATOM 0 HA CYS A 57 7.928 -0.926 -6.345 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.242 -3.146 -7.452 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.115 -2.370 -9.017 1.00 0.00 H new ATOM 0 HG CYS A 57 10.863 -2.969 -7.620 1.00 0.00 H new ATOM 785 N GLN A 58 8.407 1.174 -7.549 1.00 0.00 N ATOM 786 CA GLN A 58 8.638 2.457 -8.201 1.00 0.00 C ATOM 787 C GLN A 58 9.915 2.423 -9.033 1.00 0.00 C ATOM 788 O GLN A 58 10.265 3.401 -9.692 1.00 0.00 O ATOM 789 CB GLN A 58 8.724 3.575 -7.160 1.00 0.00 C ATOM 790 CG GLN A 58 7.406 3.851 -6.454 1.00 0.00 C ATOM 791 CD GLN A 58 6.291 4.206 -7.417 1.00 0.00 C ATOM 792 OE1 GLN A 58 6.537 4.730 -8.504 1.00 0.00 O ATOM 793 NE2 GLN A 58 5.055 3.921 -7.024 1.00 0.00 N ATOM 0 H GLN A 58 8.776 1.110 -6.600 1.00 0.00 H new ATOM 0 HA GLN A 58 7.797 2.653 -8.866 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.477 3.311 -6.417 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.064 4.489 -7.647 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.117 2.973 -5.877 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.542 4.668 -5.745 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.896 3.487 -6.115 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.264 4.136 -7.631 1.00 0.00 H new ATOM 802 N ASN A 59 10.608 1.289 -8.998 1.00 0.00 N ATOM 803 CA ASN A 59 11.848 1.128 -9.749 1.00 0.00 C ATOM 804 C ASN A 59 11.569 0.600 -11.153 1.00 0.00 C ATOM 805 O ASN A 59 11.999 1.188 -12.146 1.00 0.00 O ATOM 806 CB ASN A 59 12.794 0.176 -9.013 1.00 0.00 C ATOM 807 CG ASN A 59 12.835 0.442 -7.521 1.00 0.00 C ATOM 808 OD1 ASN A 59 13.719 1.341 -7.105 1.00 0.00 O flip ATOM 809 ND2 ASN A 59 12.082 -0.155 -6.752 1.00 0.00 N flip ATOM 0 H ASN A 59 10.332 0.469 -8.458 1.00 0.00 H new ATOM 0 HA ASN A 59 12.321 2.106 -9.835 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.478 -0.853 -9.187 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.798 0.275 -9.425 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.418 -0.838 -7.116 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.122 0.033 -5.750 1.00 0.00 H new ATOM 816 N CYS A 60 10.846 -0.512 -11.229 1.00 0.00 N ATOM 817 CA CYS A 60 10.508 -1.120 -12.510 1.00 0.00 C ATOM 818 C CYS A 60 9.045 -0.868 -12.863 1.00 0.00 C ATOM 819 O CYS A 60 8.552 -1.337 -13.889 1.00 0.00 O ATOM 820 CB CYS A 60 10.784 -2.624 -12.473 1.00 0.00 C ATOM 821 SG CYS A 60 9.700 -3.551 -11.339 1.00 0.00 S ATOM 0 H CYS A 60 10.482 -1.011 -10.417 1.00 0.00 H new ATOM 0 HA CYS A 60 11.132 -0.662 -13.277 1.00 0.00 H new ATOM 0 HB2 CYS A 60 10.670 -3.028 -13.479 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.821 -2.785 -12.180 1.00 0.00 H new ATOM 0 HG CYS A 60 9.821 -3.074 -10.136 1.00 0.00 H new ATOM 826 N LYS A 61 8.355 -0.125 -12.005 1.00 0.00 N ATOM 827 CA LYS A 61 6.949 0.192 -12.224 1.00 0.00 C ATOM 828 C LYS A 61 6.151 -1.068 -12.543 1.00 0.00 C ATOM 829 O LYS A 61 5.470 -1.140 -13.566 1.00 0.00 O ATOM 830 CB LYS A 61 6.804 1.202 -13.365 1.00 0.00 C ATOM 831 CG LYS A 61 7.326 2.586 -13.022 1.00 0.00 C ATOM 832 CD LYS A 61 6.449 3.272 -11.988 1.00 0.00 C ATOM 833 CE LYS A 61 5.381 4.132 -12.645 1.00 0.00 C ATOM 834 NZ LYS A 61 4.208 3.323 -13.079 1.00 0.00 N ATOM 0 H LYS A 61 8.747 0.270 -11.150 1.00 0.00 H new ATOM 0 HA LYS A 61 6.554 0.629 -11.307 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.337 0.828 -14.240 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.752 1.278 -13.641 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.345 2.508 -12.642 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.368 3.194 -13.926 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.975 2.521 -11.356 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.067 3.891 -11.338 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.053 4.901 -11.946 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.807 4.645 -13.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.364 3.930 -13.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.393 2.921 -14.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.047 2.553 -12.399 1.00 0.00 H new ATOM 848 N GLN A 62 6.238 -2.058 -11.659 1.00 0.00 N ATOM 849 CA GLN A 62 5.522 -3.314 -11.847 1.00 0.00 C ATOM 850 C GLN A 62 5.105 -3.909 -10.507 1.00 0.00 C ATOM 851 O GLN A 62 5.661 -3.565 -9.464 1.00 0.00 O ATOM 852 CB GLN A 62 6.394 -4.312 -12.612 1.00 0.00 C ATOM 853 CG GLN A 62 6.553 -3.977 -14.086 1.00 0.00 C ATOM 854 CD GLN A 62 6.811 -5.203 -14.939 1.00 0.00 C ATOM 855 OE1 GLN A 62 7.281 -6.229 -14.445 1.00 0.00 O ATOM 856 NE2 GLN A 62 6.506 -5.104 -16.227 1.00 0.00 N ATOM 0 H GLN A 62 6.797 -2.014 -10.807 1.00 0.00 H new ATOM 0 HA GLN A 62 4.623 -3.107 -12.427 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.380 -4.350 -12.148 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.959 -5.307 -12.519 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.652 -3.476 -14.440 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.377 -3.274 -14.208 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.119 -4.235 -16.594 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.659 -5.897 -16.850 1.00 0.00 H new ATOM 865 N SER A 63 4.122 -4.803 -10.542 1.00 0.00 N ATOM 866 CA SER A 63 3.627 -5.442 -9.328 1.00 0.00 C ATOM 867 C SER A 63 3.836 -6.952 -9.386 1.00 0.00 C ATOM 868 O SER A 63 3.176 -7.710 -8.675 1.00 0.00 O ATOM 869 CB SER A 63 2.142 -5.129 -9.131 1.00 0.00 C ATOM 870 OG SER A 63 1.341 -5.856 -10.046 1.00 0.00 O ATOM 0 H SER A 63 3.653 -5.101 -11.397 1.00 0.00 H new ATOM 0 HA SER A 63 4.190 -5.046 -8.483 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.848 -5.375 -8.111 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.972 -4.061 -9.263 1.00 0.00 H new ATOM 0 HG SER A 63 0.397 -5.639 -9.898 1.00 0.00 H new ATOM 876 N GLY A 64 4.761 -7.383 -10.239 1.00 0.00 N ATOM 877 CA GLY A 64 5.041 -8.801 -10.375 1.00 0.00 C ATOM 878 C GLY A 64 5.360 -9.458 -9.047 1.00 0.00 C ATOM 879 O GLY A 64 4.471 -9.669 -8.223 1.00 0.00 O ATOM 0 H GLY A 64 5.321 -6.776 -10.838 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.181 -9.297 -10.825 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.881 -8.939 -11.056 1.00 0.00 H new ATOM 883 N GLU A 65 6.632 -9.786 -8.840 1.00 0.00 N ATOM 884 CA GLU A 65 7.064 -10.426 -7.603 1.00 0.00 C ATOM 885 C GLU A 65 6.447 -9.737 -6.389 1.00 0.00 C ATOM 886 O GLU A 65 6.743 -8.577 -6.104 1.00 0.00 O ATOM 887 CB GLU A 65 8.590 -10.401 -7.496 1.00 0.00 C ATOM 888 CG GLU A 65 9.276 -11.468 -8.333 1.00 0.00 C ATOM 889 CD GLU A 65 8.765 -12.863 -8.034 1.00 0.00 C ATOM 890 OE1 GLU A 65 9.288 -13.499 -7.095 1.00 0.00 O ATOM 891 OE2 GLU A 65 7.841 -13.320 -8.739 1.00 0.00 O ATOM 0 H GLU A 65 7.380 -9.619 -9.513 1.00 0.00 H new ATOM 0 HA GLU A 65 6.725 -11.462 -7.623 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.952 -9.420 -7.805 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.875 -10.531 -6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.124 -11.248 -9.390 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.350 -11.432 -8.151 1.00 0.00 H new ATOM 898 N ASP A 66 5.587 -10.460 -5.680 1.00 0.00 N ATOM 899 CA ASP A 66 4.928 -9.920 -4.497 1.00 0.00 C ATOM 900 C ASP A 66 5.653 -10.351 -3.226 1.00 0.00 C ATOM 901 O ASP A 66 5.895 -9.541 -2.332 1.00 0.00 O ATOM 902 CB ASP A 66 3.469 -10.377 -4.446 1.00 0.00 C ATOM 903 CG ASP A 66 3.306 -11.836 -4.824 1.00 0.00 C ATOM 904 OD1 ASP A 66 3.261 -12.134 -6.036 1.00 0.00 O ATOM 905 OD2 ASP A 66 3.225 -12.681 -3.908 1.00 0.00 O ATOM 0 H ASP A 66 5.330 -11.421 -5.904 1.00 0.00 H new ATOM 0 HA ASP A 66 4.958 -8.832 -4.560 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.077 -10.219 -3.441 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.875 -9.761 -5.121 1.00 0.00 H new ATOM 910 N SER A 67 5.998 -11.633 -3.153 1.00 0.00 N ATOM 911 CA SER A 67 6.691 -12.173 -1.990 1.00 0.00 C ATOM 912 C SER A 67 8.017 -11.453 -1.765 1.00 0.00 C ATOM 913 O SER A 67 8.236 -10.841 -0.719 1.00 0.00 O ATOM 914 CB SER A 67 6.937 -13.673 -2.167 1.00 0.00 C ATOM 915 OG SER A 67 7.822 -14.166 -1.176 1.00 0.00 O ATOM 0 H SER A 67 5.809 -12.317 -3.886 1.00 0.00 H new ATOM 0 HA SER A 67 6.059 -12.016 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.989 -14.209 -2.112 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.353 -13.862 -3.157 1.00 0.00 H new ATOM 0 HG SER A 67 7.961 -15.127 -1.311 1.00 0.00 H new ATOM 921 N LYS A 68 8.901 -11.530 -2.755 1.00 0.00 N ATOM 922 CA LYS A 68 10.206 -10.886 -2.668 1.00 0.00 C ATOM 923 C LYS A 68 10.057 -9.385 -2.443 1.00 0.00 C ATOM 924 O LYS A 68 10.819 -8.783 -1.686 1.00 0.00 O ATOM 925 CB LYS A 68 11.010 -11.144 -3.944 1.00 0.00 C ATOM 926 CG LYS A 68 11.510 -12.573 -4.070 1.00 0.00 C ATOM 927 CD LYS A 68 12.794 -12.645 -4.879 1.00 0.00 C ATOM 928 CE LYS A 68 12.997 -14.028 -5.478 1.00 0.00 C ATOM 929 NZ LYS A 68 14.386 -14.215 -5.984 1.00 0.00 N ATOM 0 H LYS A 68 8.737 -12.033 -3.627 1.00 0.00 H new ATOM 0 HA LYS A 68 10.739 -11.312 -1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.389 -10.908 -4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.863 -10.466 -3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.681 -12.989 -3.077 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.745 -13.187 -4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.765 -11.902 -5.676 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.642 -12.395 -4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.780 -14.785 -4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.290 -14.178 -6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.484 -15.170 -6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.585 -13.508 -6.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.060 -14.097 -5.200 1.00 0.00 H new ATOM 943 N MET A 69 9.071 -8.786 -3.103 1.00 0.00 N ATOM 944 CA MET A 69 8.822 -7.356 -2.972 1.00 0.00 C ATOM 945 C MET A 69 8.960 -6.911 -1.519 1.00 0.00 C ATOM 946 O MET A 69 8.070 -7.146 -0.700 1.00 0.00 O ATOM 947 CB MET A 69 7.426 -7.010 -3.493 1.00 0.00 C ATOM 948 CG MET A 69 7.034 -5.558 -3.265 1.00 0.00 C ATOM 949 SD MET A 69 5.404 -5.166 -3.929 1.00 0.00 S ATOM 950 CE MET A 69 5.825 -3.921 -5.146 1.00 0.00 C ATOM 0 H MET A 69 8.432 -9.269 -3.734 1.00 0.00 H new ATOM 0 HA MET A 69 9.566 -6.827 -3.568 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.382 -7.226 -4.560 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.695 -7.656 -3.006 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.047 -5.346 -2.196 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.777 -4.908 -3.728 1.00 0.00 H new ATOM 0 HE1 MET A 69 5.644 -2.930 -4.730 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.877 -4.015 -5.414 1.00 0.00 H new ATOM 0 HE3 MET A 69 5.211 -4.059 -6.036 1.00 0.00 H new ATOM 960 N LEU A 70 10.079 -6.267 -1.206 1.00 0.00 N ATOM 961 CA LEU A 70 10.333 -5.790 0.149 1.00 0.00 C ATOM 962 C LEU A 70 9.391 -4.646 0.509 1.00 0.00 C ATOM 963 O LEU A 70 9.556 -3.520 0.039 1.00 0.00 O ATOM 964 CB LEU A 70 11.786 -5.330 0.284 1.00 0.00 C ATOM 965 CG LEU A 70 12.813 -6.426 0.572 1.00 0.00 C ATOM 966 CD1 LEU A 70 14.217 -5.941 0.247 1.00 0.00 C ATOM 967 CD2 LEU A 70 12.723 -6.873 2.024 1.00 0.00 C ATOM 0 H LEU A 70 10.825 -6.063 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 70 10.153 -6.615 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.073 -4.824 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.839 -4.591 1.083 1.00 0.00 H new ATOM 0 HG LEU A 70 12.591 -7.282 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.934 -6.734 0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.274 -5.672 -0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.451 -5.069 0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.461 -7.653 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.919 -6.024 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.725 -7.263 2.224 1.00 0.00 H new ATOM 979 N VAL A 71 8.403 -4.941 1.347 1.00 0.00 N ATOM 980 CA VAL A 71 7.435 -3.937 1.773 1.00 0.00 C ATOM 981 C VAL A 71 7.916 -3.205 3.021 1.00 0.00 C ATOM 982 O VAL A 71 7.934 -3.768 4.117 1.00 0.00 O ATOM 983 CB VAL A 71 6.060 -4.569 2.061 1.00 0.00 C ATOM 984 CG1 VAL A 71 5.073 -3.510 2.527 1.00 0.00 C ATOM 985 CG2 VAL A 71 5.538 -5.291 0.827 1.00 0.00 C ATOM 0 H VAL A 71 8.251 -5.868 1.745 1.00 0.00 H new ATOM 0 HA VAL A 71 7.335 -3.226 0.953 1.00 0.00 H new ATOM 0 HB VAL A 71 6.175 -5.301 2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.107 -3.975 2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.445 -3.042 3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.958 -2.753 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.566 -5.732 1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.437 -4.581 0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.237 -6.078 0.543 1.00 0.00 H new ATOM 995 N CYS A 72 8.306 -1.947 2.849 1.00 0.00 N ATOM 996 CA CYS A 72 8.788 -1.136 3.960 1.00 0.00 C ATOM 997 C CYS A 72 7.732 -1.033 5.057 1.00 0.00 C ATOM 998 O CYS A 72 6.543 -1.239 4.810 1.00 0.00 O ATOM 999 CB CYS A 72 9.168 0.263 3.471 1.00 0.00 C ATOM 1000 SG CYS A 72 10.131 1.235 4.674 1.00 0.00 S ATOM 0 H CYS A 72 8.298 -1.466 1.949 1.00 0.00 H new ATOM 0 HA CYS A 72 9.672 -1.622 4.374 1.00 0.00 H new ATOM 0 HB2 CYS A 72 9.744 0.170 2.550 1.00 0.00 H new ATOM 0 HB3 CYS A 72 8.258 0.810 3.224 1.00 0.00 H new ATOM 0 HG CYS A 72 10.874 2.095 4.042 1.00 0.00 H new ATOM 1005 N ASP A 73 8.174 -0.714 6.268 1.00 0.00 N ATOM 1006 CA ASP A 73 7.267 -0.582 7.403 1.00 0.00 C ATOM 1007 C ASP A 73 7.006 0.886 7.723 1.00 0.00 C ATOM 1008 O ASP A 73 5.881 1.275 8.036 1.00 0.00 O ATOM 1009 CB ASP A 73 7.845 -1.290 8.630 1.00 0.00 C ATOM 1010 CG ASP A 73 6.853 -1.370 9.773 1.00 0.00 C ATOM 1011 OD1 ASP A 73 5.825 -2.062 9.618 1.00 0.00 O ATOM 1012 OD2 ASP A 73 7.103 -0.741 10.822 1.00 0.00 O ATOM 0 H ASP A 73 9.155 -0.542 6.490 1.00 0.00 H new ATOM 0 HA ASP A 73 6.320 -1.050 7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.156 -2.297 8.352 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.738 -0.761 8.964 1.00 0.00 H new ATOM 1017 N THR A 74 8.055 1.699 7.643 1.00 0.00 N ATOM 1018 CA THR A 74 7.941 3.124 7.926 1.00 0.00 C ATOM 1019 C THR A 74 7.041 3.817 6.909 1.00 0.00 C ATOM 1020 O THR A 74 5.967 4.313 7.250 1.00 0.00 O ATOM 1021 CB THR A 74 9.320 3.810 7.925 1.00 0.00 C ATOM 1022 OG1 THR A 74 10.098 3.347 9.034 1.00 0.00 O ATOM 1023 CG2 THR A 74 9.173 5.322 7.998 1.00 0.00 C ATOM 0 H THR A 74 8.993 1.394 7.384 1.00 0.00 H new ATOM 0 HA THR A 74 7.500 3.214 8.919 1.00 0.00 H new ATOM 0 HB THR A 74 9.827 3.555 6.994 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.816 3.987 9.220 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.160 5.784 7.996 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.606 5.674 7.137 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.648 5.593 8.914 1.00 0.00 H new ATOM 1031 N CYS A 75 7.485 3.846 5.656 1.00 0.00 N ATOM 1032 CA CYS A 75 6.720 4.477 4.588 1.00 0.00 C ATOM 1033 C CYS A 75 5.709 3.501 3.993 1.00 0.00 C ATOM 1034 O CYS A 75 4.564 3.865 3.722 1.00 0.00 O ATOM 1035 CB CYS A 75 7.658 4.986 3.493 1.00 0.00 C ATOM 1036 SG CYS A 75 8.460 3.666 2.527 1.00 0.00 S ATOM 0 H CYS A 75 8.371 3.439 5.356 1.00 0.00 H new ATOM 0 HA CYS A 75 6.177 5.321 5.014 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.094 5.626 2.815 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.429 5.607 3.950 1.00 0.00 H new ATOM 0 HG CYS A 75 9.094 2.864 3.330 1.00 0.00 H new ATOM 1041 N ASP A 76 6.139 2.260 3.794 1.00 0.00 N ATOM 1042 CA ASP A 76 5.272 1.230 3.233 1.00 0.00 C ATOM 1043 C ASP A 76 5.038 1.470 1.744 1.00 0.00 C ATOM 1044 O ASP A 76 3.899 1.463 1.275 1.00 0.00 O ATOM 1045 CB ASP A 76 3.935 1.200 3.974 1.00 0.00 C ATOM 1046 CG ASP A 76 3.225 -0.132 3.833 1.00 0.00 C ATOM 1047 OD1 ASP A 76 3.473 -1.027 4.668 1.00 0.00 O ATOM 1048 OD2 ASP A 76 2.422 -0.280 2.888 1.00 0.00 O ATOM 0 H ASP A 76 7.083 1.943 4.013 1.00 0.00 H new ATOM 0 HA ASP A 76 5.767 0.266 3.354 1.00 0.00 H new ATOM 0 HB2 ASP A 76 4.104 1.409 5.030 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.293 1.993 3.591 1.00 0.00 H new ATOM 1053 N LYS A 77 6.122 1.681 1.006 1.00 0.00 N ATOM 1054 CA LYS A 77 6.036 1.923 -0.429 1.00 0.00 C ATOM 1055 C LYS A 77 6.038 0.608 -1.203 1.00 0.00 C ATOM 1056 O LYS A 77 5.019 0.202 -1.760 1.00 0.00 O ATOM 1057 CB LYS A 77 7.201 2.801 -0.890 1.00 0.00 C ATOM 1058 CG LYS A 77 7.079 4.251 -0.456 1.00 0.00 C ATOM 1059 CD LYS A 77 5.996 4.977 -1.235 1.00 0.00 C ATOM 1060 CE LYS A 77 6.525 5.518 -2.554 1.00 0.00 C ATOM 1061 NZ LYS A 77 5.453 6.169 -3.357 1.00 0.00 N ATOM 0 H LYS A 77 7.072 1.689 1.378 1.00 0.00 H new ATOM 0 HA LYS A 77 5.098 2.441 -0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.132 2.390 -0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.267 2.760 -1.977 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.854 4.295 0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.034 4.757 -0.601 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.166 4.297 -1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.603 5.798 -0.635 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.320 6.238 -2.359 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.966 4.704 -3.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.854 6.524 -4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.706 5.476 -3.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.049 6.962 -2.819 1.00 0.00 H new ATOM 1075 N GLY A 78 7.191 -0.054 -1.233 1.00 0.00 N ATOM 1076 CA GLY A 78 7.304 -1.316 -1.940 1.00 0.00 C ATOM 1077 C GLY A 78 8.408 -1.303 -2.978 1.00 0.00 C ATOM 1078 O GLY A 78 8.342 -0.557 -3.955 1.00 0.00 O ATOM 0 H GLY A 78 8.049 0.262 -0.780 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.493 -2.115 -1.223 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.355 -1.543 -2.426 1.00 0.00 H new ATOM 1082 N TYR A 79 9.427 -2.128 -2.766 1.00 0.00 N ATOM 1083 CA TYR A 79 10.553 -2.206 -3.689 1.00 0.00 C ATOM 1084 C TYR A 79 11.111 -3.624 -3.749 1.00 0.00 C ATOM 1085 O TYR A 79 11.339 -4.259 -2.719 1.00 0.00 O ATOM 1086 CB TYR A 79 11.653 -1.230 -3.267 1.00 0.00 C ATOM 1087 CG TYR A 79 11.149 0.167 -2.984 1.00 0.00 C ATOM 1088 CD1 TYR A 79 10.912 1.064 -4.018 1.00 0.00 C ATOM 1089 CD2 TYR A 79 10.907 0.589 -1.682 1.00 0.00 C ATOM 1090 CE1 TYR A 79 10.452 2.341 -3.764 1.00 0.00 C ATOM 1091 CE2 TYR A 79 10.445 1.864 -1.419 1.00 0.00 C ATOM 1092 CZ TYR A 79 10.219 2.736 -2.463 1.00 0.00 C ATOM 1093 OH TYR A 79 9.759 4.008 -2.206 1.00 0.00 O ATOM 0 H TYR A 79 9.497 -2.753 -1.963 1.00 0.00 H new ATOM 0 HA TYR A 79 10.196 -1.934 -4.682 1.00 0.00 H new ATOM 0 HB2 TYR A 79 12.147 -1.616 -2.375 1.00 0.00 H new ATOM 0 HB3 TYR A 79 12.406 -1.183 -4.054 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.091 0.757 -5.038 1.00 0.00 H new ATOM 0 HD2 TYR A 79 11.083 -0.091 -0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.276 3.027 -4.579 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.262 2.176 -0.401 1.00 0.00 H new ATOM 0 HH TYR A 79 9.218 4.319 -2.962 1.00 0.00 H new ATOM 1103 N HIS A 80 11.330 -4.115 -4.965 1.00 0.00 N ATOM 1104 CA HIS A 80 11.863 -5.459 -5.162 1.00 0.00 C ATOM 1105 C HIS A 80 13.344 -5.515 -4.798 1.00 0.00 C ATOM 1106 O HIS A 80 14.089 -4.564 -5.036 1.00 0.00 O ATOM 1107 CB HIS A 80 11.666 -5.901 -6.612 1.00 0.00 C ATOM 1108 CG HIS A 80 10.253 -5.771 -7.091 1.00 0.00 C ATOM 1109 ND1 HIS A 80 9.079 -6.013 -6.462 1.00 0.00 N flip ATOM 1110 CD2 HIS A 80 9.924 -5.347 -8.362 1.00 0.00 C flip ATOM 1111 CE1 HIS A 80 8.073 -5.733 -7.354 1.00 0.00 C flip ATOM 1112 NE2 HIS A 80 8.610 -5.333 -8.493 1.00 0.00 N flip ATOM 0 H HIS A 80 11.147 -3.603 -5.828 1.00 0.00 H new ATOM 0 HA HIS A 80 11.319 -6.138 -4.506 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.315 -5.307 -7.256 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.981 -6.940 -6.713 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.631 -5.070 -9.130 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.015 -5.825 -7.157 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.097 -5.060 -9.331 1.00 0.00 H new ATOM 1120 N THR A 81 13.764 -6.635 -4.218 1.00 0.00 N ATOM 1121 CA THR A 81 15.154 -6.814 -3.819 1.00 0.00 C ATOM 1122 C THR A 81 16.102 -6.481 -4.966 1.00 0.00 C ATOM 1123 O THR A 81 17.039 -5.699 -4.802 1.00 0.00 O ATOM 1124 CB THR A 81 15.422 -8.256 -3.349 1.00 0.00 C ATOM 1125 OG1 THR A 81 15.075 -9.182 -4.385 1.00 0.00 O ATOM 1126 CG2 THR A 81 14.625 -8.573 -2.092 1.00 0.00 C ATOM 0 H THR A 81 13.161 -7.432 -4.014 1.00 0.00 H new ATOM 0 HA THR A 81 15.336 -6.130 -2.990 1.00 0.00 H new ATOM 0 HB THR A 81 16.484 -8.348 -3.120 1.00 0.00 H new ATOM 0 HG1 THR A 81 15.250 -10.096 -4.079 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.831 -9.597 -1.779 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.912 -7.886 -1.296 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.560 -8.464 -2.299 1.00 0.00 H new ATOM 1134 N PHE A 82 15.853 -7.078 -6.126 1.00 0.00 N ATOM 1135 CA PHE A 82 16.686 -6.845 -7.300 1.00 0.00 C ATOM 1136 C PHE A 82 16.530 -5.412 -7.801 1.00 0.00 C ATOM 1137 O PHE A 82 17.348 -4.922 -8.580 1.00 0.00 O ATOM 1138 CB PHE A 82 16.321 -7.829 -8.414 1.00 0.00 C ATOM 1139 CG PHE A 82 14.855 -7.850 -8.739 1.00 0.00 C ATOM 1140 CD1 PHE A 82 14.316 -6.934 -9.628 1.00 0.00 C ATOM 1141 CD2 PHE A 82 14.016 -8.786 -8.156 1.00 0.00 C ATOM 1142 CE1 PHE A 82 12.967 -6.951 -9.929 1.00 0.00 C ATOM 1143 CE2 PHE A 82 12.666 -8.808 -8.453 1.00 0.00 C ATOM 1144 CZ PHE A 82 12.141 -7.890 -9.341 1.00 0.00 C ATOM 0 H PHE A 82 15.081 -7.727 -6.279 1.00 0.00 H new ATOM 0 HA PHE A 82 17.726 -7.000 -7.014 1.00 0.00 H new ATOM 0 HB2 PHE A 82 16.881 -7.571 -9.313 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.634 -8.831 -8.120 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.957 -6.198 -10.091 1.00 0.00 H new ATOM 0 HD2 PHE A 82 14.421 -9.507 -7.461 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.559 -6.231 -10.623 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.023 -9.542 -7.991 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.087 -7.906 -9.576 1.00 0.00 H new ATOM 1154 N CYS A 83 15.473 -4.745 -7.349 1.00 0.00 N ATOM 1155 CA CYS A 83 15.207 -3.369 -7.751 1.00 0.00 C ATOM 1156 C CYS A 83 15.751 -2.386 -6.718 1.00 0.00 C ATOM 1157 O CYS A 83 15.350 -1.223 -6.681 1.00 0.00 O ATOM 1158 CB CYS A 83 13.704 -3.151 -7.936 1.00 0.00 C ATOM 1159 SG CYS A 83 13.009 -3.974 -9.405 1.00 0.00 S ATOM 0 H CYS A 83 14.786 -5.136 -6.704 1.00 0.00 H new ATOM 0 HA CYS A 83 15.713 -3.190 -8.700 1.00 0.00 H new ATOM 0 HB2 CYS A 83 13.183 -3.513 -7.049 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.509 -2.081 -8.006 1.00 0.00 H new ATOM 0 HG CYS A 83 13.204 -5.256 -9.317 1.00 0.00 H new ATOM 1164 N LEU A 84 16.667 -2.862 -5.882 1.00 0.00 N ATOM 1165 CA LEU A 84 17.267 -2.026 -4.848 1.00 0.00 C ATOM 1166 C LEU A 84 18.749 -1.795 -5.128 1.00 0.00 C ATOM 1167 O LEU A 84 19.402 -2.611 -5.777 1.00 0.00 O ATOM 1168 CB LEU A 84 17.091 -2.675 -3.474 1.00 0.00 C ATOM 1169 CG LEU A 84 15.688 -2.600 -2.871 1.00 0.00 C ATOM 1170 CD1 LEU A 84 15.651 -3.290 -1.517 1.00 0.00 C ATOM 1171 CD2 LEU A 84 15.238 -1.152 -2.746 1.00 0.00 C ATOM 0 H LEU A 84 17.010 -3.822 -5.900 1.00 0.00 H new ATOM 0 HA LEU A 84 16.760 -1.061 -4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.376 -3.724 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.788 -2.205 -2.780 1.00 0.00 H new ATOM 0 HG LEU A 84 14.999 -3.118 -3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.644 -3.226 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.929 -4.337 -1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.353 -2.802 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.237 -1.118 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.930 -0.610 -2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.224 -0.689 -3.733 1.00 0.00 H new ATOM 1183 N GLN A 85 19.272 -0.678 -4.631 1.00 0.00 N ATOM 1184 CA GLN A 85 20.677 -0.341 -4.827 1.00 0.00 C ATOM 1185 C GLN A 85 21.340 0.017 -3.501 1.00 0.00 C ATOM 1186 O GLN A 85 21.148 1.103 -2.956 1.00 0.00 O ATOM 1187 CB GLN A 85 20.811 0.824 -5.809 1.00 0.00 C ATOM 1188 CG GLN A 85 20.045 2.067 -5.386 1.00 0.00 C ATOM 1189 CD GLN A 85 19.834 3.040 -6.530 1.00 0.00 C ATOM 1190 OE1 GLN A 85 18.880 2.913 -7.299 1.00 0.00 O ATOM 1191 NE2 GLN A 85 20.724 4.017 -6.649 1.00 0.00 N ATOM 0 H GLN A 85 18.745 0.008 -4.091 1.00 0.00 H new ATOM 0 HA GLN A 85 21.181 -1.215 -5.240 1.00 0.00 H new ATOM 0 HB2 GLN A 85 21.866 1.077 -5.918 1.00 0.00 H new ATOM 0 HB3 GLN A 85 20.457 0.505 -6.789 1.00 0.00 H new ATOM 0 HG2 GLN A 85 19.077 1.772 -4.981 1.00 0.00 H new ATOM 0 HG3 GLN A 85 20.587 2.568 -4.584 1.00 0.00 H new ATOM 0 HE21 GLN A 85 21.499 4.084 -5.989 1.00 0.00 H new ATOM 0 HE22 GLN A 85 20.633 4.701 -7.400 1.00 0.00 H new ATOM 1200 N PRO A 86 22.141 -0.918 -2.969 1.00 0.00 N ATOM 1201 CA PRO A 86 22.378 -2.216 -3.609 1.00 0.00 C ATOM 1202 C PRO A 86 21.145 -3.112 -3.575 1.00 0.00 C ATOM 1203 O PRO A 86 20.106 -2.736 -3.032 1.00 0.00 O ATOM 1204 CB PRO A 86 23.505 -2.824 -2.770 1.00 0.00 C ATOM 1205 CG PRO A 86 23.379 -2.174 -1.436 1.00 0.00 C ATOM 1206 CD PRO A 86 22.877 -0.781 -1.700 1.00 0.00 C ATOM 0 HA PRO A 86 22.624 -2.111 -4.666 1.00 0.00 H new ATOM 0 HB2 PRO A 86 23.402 -3.906 -2.694 1.00 0.00 H new ATOM 0 HB3 PRO A 86 24.480 -2.627 -3.215 1.00 0.00 H new ATOM 0 HG2 PRO A 86 22.687 -2.724 -0.798 1.00 0.00 H new ATOM 0 HG3 PRO A 86 24.339 -2.152 -0.920 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.230 -0.428 -0.897 1.00 0.00 H new ATOM 0 HD3 PRO A 86 23.697 -0.068 -1.786 1.00 0.00 H new ATOM 1214 N VAL A 87 21.267 -4.301 -4.158 1.00 0.00 N ATOM 1215 CA VAL A 87 20.163 -5.252 -4.193 1.00 0.00 C ATOM 1216 C VAL A 87 20.118 -6.089 -2.919 1.00 0.00 C ATOM 1217 O VAL A 87 21.132 -6.269 -2.246 1.00 0.00 O ATOM 1218 CB VAL A 87 20.270 -6.192 -5.408 1.00 0.00 C ATOM 1219 CG1 VAL A 87 19.550 -7.504 -5.134 1.00 0.00 C ATOM 1220 CG2 VAL A 87 19.712 -5.519 -6.653 1.00 0.00 C ATOM 0 H VAL A 87 22.120 -4.628 -4.612 1.00 0.00 H new ATOM 0 HA VAL A 87 19.246 -4.669 -4.274 1.00 0.00 H new ATOM 0 HB VAL A 87 21.323 -6.413 -5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.637 -8.155 -6.004 1.00 0.00 H new ATOM 0 HG12 VAL A 87 20.000 -7.992 -4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 87 18.497 -7.306 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 87 19.796 -6.198 -7.502 1.00 0.00 H new ATOM 0 HG22 VAL A 87 18.664 -5.267 -6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 87 20.276 -4.609 -6.859 1.00 0.00 H new ATOM 1230 N MET A 88 18.934 -6.599 -2.594 1.00 0.00 N ATOM 1231 CA MET A 88 18.757 -7.419 -1.401 1.00 0.00 C ATOM 1232 C MET A 88 18.685 -8.899 -1.765 1.00 0.00 C ATOM 1233 O MET A 88 17.632 -9.527 -1.648 1.00 0.00 O ATOM 1234 CB MET A 88 17.489 -7.003 -0.654 1.00 0.00 C ATOM 1235 CG MET A 88 17.627 -5.686 0.092 1.00 0.00 C ATOM 1236 SD MET A 88 18.703 -5.813 1.533 1.00 0.00 S ATOM 1237 CE MET A 88 17.507 -5.692 2.861 1.00 0.00 C ATOM 0 H MET A 88 18.084 -6.459 -3.140 1.00 0.00 H new ATOM 0 HA MET A 88 19.619 -7.264 -0.752 1.00 0.00 H new ATOM 0 HB2 MET A 88 16.667 -6.923 -1.366 1.00 0.00 H new ATOM 0 HB3 MET A 88 17.221 -7.786 0.055 1.00 0.00 H new ATOM 0 HG2 MET A 88 18.022 -4.929 -0.586 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.641 -5.347 0.409 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.808 -4.904 3.551 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.526 -5.457 2.447 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.458 -6.642 3.394 1.00 0.00 H new ATOM 1247 N LYS A 89 19.810 -9.450 -2.206 1.00 0.00 N ATOM 1248 CA LYS A 89 19.876 -10.857 -2.586 1.00 0.00 C ATOM 1249 C LYS A 89 19.048 -11.716 -1.636 1.00 0.00 C ATOM 1250 O LYS A 89 18.548 -12.775 -2.017 1.00 0.00 O ATOM 1251 CB LYS A 89 21.329 -11.338 -2.590 1.00 0.00 C ATOM 1252 CG LYS A 89 21.620 -12.383 -3.653 1.00 0.00 C ATOM 1253 CD LYS A 89 21.535 -11.794 -5.051 1.00 0.00 C ATOM 1254 CE LYS A 89 22.636 -10.772 -5.293 1.00 0.00 C ATOM 1255 NZ LYS A 89 22.274 -9.431 -4.758 1.00 0.00 N ATOM 0 H LYS A 89 20.690 -8.944 -2.309 1.00 0.00 H new ATOM 0 HA LYS A 89 19.464 -10.956 -3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 89 21.986 -10.482 -2.744 1.00 0.00 H new ATOM 0 HB3 LYS A 89 21.569 -11.752 -1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 89 22.614 -12.800 -3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 89 20.911 -13.206 -3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 89 21.610 -12.593 -5.789 1.00 0.00 H new ATOM 0 HD3 LYS A 89 20.562 -11.322 -5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 89 23.558 -11.114 -4.823 1.00 0.00 H new ATOM 0 HE3 LYS A 89 22.832 -10.696 -6.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 22.333 -8.726 -5.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 21.304 -9.457 -4.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 22.932 -9.173 -3.995 1.00 0.00 H new ATOM 1269 N SER A 90 18.904 -11.252 -0.398 1.00 0.00 N ATOM 1270 CA SER A 90 18.138 -11.980 0.607 1.00 0.00 C ATOM 1271 C SER A 90 17.105 -11.071 1.266 1.00 0.00 C ATOM 1272 O SER A 90 17.074 -9.866 1.018 1.00 0.00 O ATOM 1273 CB SER A 90 19.073 -12.563 1.668 1.00 0.00 C ATOM 1274 OG SER A 90 19.940 -13.533 1.107 1.00 0.00 O ATOM 0 H SER A 90 19.308 -10.376 -0.067 1.00 0.00 H new ATOM 0 HA SER A 90 17.613 -12.795 0.109 1.00 0.00 H new ATOM 0 HB2 SER A 90 19.660 -11.763 2.119 1.00 0.00 H new ATOM 0 HB3 SER A 90 18.485 -13.015 2.467 1.00 0.00 H new ATOM 0 HG SER A 90 20.528 -13.889 1.805 1.00 0.00 H new ATOM 1280 N VAL A 91 16.261 -11.658 2.108 1.00 0.00 N ATOM 1281 CA VAL A 91 15.227 -10.903 2.804 1.00 0.00 C ATOM 1282 C VAL A 91 15.570 -10.733 4.280 1.00 0.00 C ATOM 1283 O VAL A 91 15.986 -11.673 4.958 1.00 0.00 O ATOM 1284 CB VAL A 91 13.853 -11.588 2.683 1.00 0.00 C ATOM 1285 CG1 VAL A 91 12.786 -10.778 3.404 1.00 0.00 C ATOM 1286 CG2 VAL A 91 13.484 -11.788 1.221 1.00 0.00 C ATOM 0 H VAL A 91 16.273 -12.655 2.325 1.00 0.00 H new ATOM 0 HA VAL A 91 15.178 -9.923 2.330 1.00 0.00 H new ATOM 0 HB VAL A 91 13.913 -12.568 3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.822 -11.278 3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 91 13.046 -10.692 4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.724 -9.783 2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.510 -12.273 1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.442 -10.821 0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.235 -12.414 0.739 1.00 0.00 H new ATOM 1296 N PRO A 92 15.391 -9.506 4.792 1.00 0.00 N ATOM 1297 CA PRO A 92 15.675 -9.185 6.194 1.00 0.00 C ATOM 1298 C PRO A 92 14.681 -9.835 7.150 1.00 0.00 C ATOM 1299 O PRO A 92 13.489 -9.527 7.128 1.00 0.00 O ATOM 1300 CB PRO A 92 15.544 -7.660 6.241 1.00 0.00 C ATOM 1301 CG PRO A 92 14.626 -7.324 5.117 1.00 0.00 C ATOM 1302 CD PRO A 92 14.899 -8.339 4.042 1.00 0.00 C ATOM 0 HA PRO A 92 16.652 -9.553 6.507 1.00 0.00 H new ATOM 0 HB2 PRO A 92 15.139 -7.327 7.196 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.513 -7.175 6.119 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.585 -7.365 5.438 1.00 0.00 H new ATOM 0 HG3 PRO A 92 14.808 -6.312 4.754 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.999 -8.576 3.475 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.640 -7.979 3.328 1.00 0.00 H new ATOM 1310 N THR A 93 15.179 -10.736 7.991 1.00 0.00 N ATOM 1311 CA THR A 93 14.335 -11.430 8.955 1.00 0.00 C ATOM 1312 C THR A 93 13.216 -10.526 9.458 1.00 0.00 C ATOM 1313 O THR A 93 12.044 -10.901 9.434 1.00 0.00 O ATOM 1314 CB THR A 93 15.154 -11.932 10.160 1.00 0.00 C ATOM 1315 OG1 THR A 93 15.802 -10.830 10.805 1.00 0.00 O ATOM 1316 CG2 THR A 93 16.194 -12.952 9.720 1.00 0.00 C ATOM 0 H THR A 93 16.163 -11.002 8.024 1.00 0.00 H new ATOM 0 HA THR A 93 13.902 -12.286 8.437 1.00 0.00 H new ATOM 0 HB THR A 93 14.471 -12.412 10.861 1.00 0.00 H new ATOM 0 HG1 THR A 93 16.319 -11.157 11.571 1.00 0.00 H new ATOM 0 HG21 THR A 93 16.760 -13.292 10.587 1.00 0.00 H new ATOM 0 HG22 THR A 93 15.695 -13.803 9.256 1.00 0.00 H new ATOM 0 HG23 THR A 93 16.873 -12.493 9.001 1.00 0.00 H new ATOM 1324 N ASN A 94 13.584 -9.332 9.912 1.00 0.00 N ATOM 1325 CA ASN A 94 12.610 -8.373 10.420 1.00 0.00 C ATOM 1326 C ASN A 94 13.265 -7.022 10.686 1.00 0.00 C ATOM 1327 O ASN A 94 14.490 -6.907 10.711 1.00 0.00 O ATOM 1328 CB ASN A 94 11.964 -8.902 11.702 1.00 0.00 C ATOM 1329 CG ASN A 94 10.832 -9.872 11.423 1.00 0.00 C ATOM 1330 OD1 ASN A 94 10.890 -11.038 11.811 1.00 0.00 O ATOM 1331 ND2 ASN A 94 9.796 -9.392 10.745 1.00 0.00 N ATOM 0 H ASN A 94 14.550 -9.006 9.938 1.00 0.00 H new ATOM 0 HA ASN A 94 11.839 -8.239 9.662 1.00 0.00 H new ATOM 0 HB2 ASN A 94 12.722 -9.397 12.309 1.00 0.00 H new ATOM 0 HB3 ASN A 94 11.585 -8.064 12.287 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.005 -9.998 10.526 1.00 0.00 H new ATOM 0 HD22 ASN A 94 9.791 -8.418 10.443 1.00 0.00 H new ATOM 1338 N GLY A 95 12.439 -5.999 10.887 1.00 0.00 N ATOM 1339 CA GLY A 95 12.956 -4.669 11.150 1.00 0.00 C ATOM 1340 C GLY A 95 13.743 -4.111 9.981 1.00 0.00 C ATOM 1341 O GLY A 95 14.929 -3.806 10.111 1.00 0.00 O ATOM 0 H GLY A 95 11.421 -6.068 10.872 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.127 -3.999 11.379 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.595 -4.699 12.033 1.00 0.00 H new ATOM 1345 N TRP A 96 13.084 -3.979 8.835 1.00 0.00 N ATOM 1346 CA TRP A 96 13.731 -3.456 7.637 1.00 0.00 C ATOM 1347 C TRP A 96 13.253 -2.040 7.335 1.00 0.00 C ATOM 1348 O TRP A 96 12.120 -1.675 7.650 1.00 0.00 O ATOM 1349 CB TRP A 96 13.451 -4.368 6.442 1.00 0.00 C ATOM 1350 CG TRP A 96 14.118 -3.913 5.179 1.00 0.00 C ATOM 1351 CD1 TRP A 96 15.438 -4.044 4.856 1.00 0.00 C ATOM 1352 CD2 TRP A 96 13.495 -3.252 4.071 1.00 0.00 C ATOM 1353 NE1 TRP A 96 15.674 -3.505 3.614 1.00 0.00 N ATOM 1354 CE2 TRP A 96 14.498 -3.013 3.112 1.00 0.00 C ATOM 1355 CE3 TRP A 96 12.188 -2.841 3.796 1.00 0.00 C ATOM 1356 CZ2 TRP A 96 14.233 -2.381 1.900 1.00 0.00 C ATOM 1357 CZ3 TRP A 96 11.927 -2.213 2.593 1.00 0.00 C ATOM 1358 CH2 TRP A 96 12.945 -1.988 1.657 1.00 0.00 C ATOM 0 H TRP A 96 12.102 -4.227 8.710 1.00 0.00 H new ATOM 0 HA TRP A 96 14.805 -3.426 7.818 1.00 0.00 H new ATOM 0 HB2 TRP A 96 13.786 -5.378 6.678 1.00 0.00 H new ATOM 0 HB3 TRP A 96 12.375 -4.420 6.278 1.00 0.00 H new ATOM 0 HD1 TRP A 96 16.187 -4.504 5.484 1.00 0.00 H new ATOM 0 HE1 TRP A 96 16.578 -3.476 3.142 1.00 0.00 H new ATOM 0 HE3 TRP A 96 11.396 -3.011 4.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 15.016 -2.207 1.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 10.921 -1.890 2.370 1.00 0.00 H new ATOM 0 HH2 TRP A 96 12.709 -1.495 0.726 1.00 0.00 H new ATOM 1369 N LYS A 97 14.124 -1.244 6.722 1.00 0.00 N ATOM 1370 CA LYS A 97 13.791 0.132 6.376 1.00 0.00 C ATOM 1371 C LYS A 97 14.397 0.516 5.029 1.00 0.00 C ATOM 1372 O LYS A 97 15.596 0.350 4.807 1.00 0.00 O ATOM 1373 CB LYS A 97 14.289 1.088 7.462 1.00 0.00 C ATOM 1374 CG LYS A 97 13.449 2.347 7.596 1.00 0.00 C ATOM 1375 CD LYS A 97 14.139 3.388 8.462 1.00 0.00 C ATOM 1376 CE LYS A 97 13.765 3.228 9.928 1.00 0.00 C ATOM 1377 NZ LYS A 97 14.718 3.940 10.824 1.00 0.00 N ATOM 0 H LYS A 97 15.066 -1.529 6.455 1.00 0.00 H new ATOM 0 HA LYS A 97 12.706 0.209 6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.299 0.565 8.418 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.319 1.370 7.242 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.257 2.764 6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.481 2.095 8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.219 3.299 8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.864 4.386 8.122 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.758 3.612 10.090 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.747 2.169 10.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.429 3.807 11.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.675 3.556 10.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.716 4.955 10.596 1.00 0.00 H new ATOM 1391 N CYS A 98 13.560 1.031 4.135 1.00 0.00 N ATOM 1392 CA CYS A 98 14.013 1.440 2.811 1.00 0.00 C ATOM 1393 C CYS A 98 14.890 2.686 2.896 1.00 0.00 C ATOM 1394 O CYS A 98 14.710 3.527 3.777 1.00 0.00 O ATOM 1395 CB CYS A 98 12.814 1.709 1.899 1.00 0.00 C ATOM 1396 SG CYS A 98 12.075 3.361 2.110 1.00 0.00 S ATOM 0 H CYS A 98 12.564 1.175 4.303 1.00 0.00 H new ATOM 0 HA CYS A 98 14.606 0.628 2.391 1.00 0.00 H new ATOM 0 HB2 CYS A 98 13.127 1.593 0.861 1.00 0.00 H new ATOM 0 HB3 CYS A 98 12.051 0.954 2.088 1.00 0.00 H new ATOM 0 HG CYS A 98 10.784 3.248 2.218 1.00 0.00 H new ATOM 1401 N LYS A 99 15.841 2.798 1.975 1.00 0.00 N ATOM 1402 CA LYS A 99 16.746 3.940 1.943 1.00 0.00 C ATOM 1403 C LYS A 99 15.972 5.251 2.046 1.00 0.00 C ATOM 1404 O LYS A 99 16.273 6.096 2.887 1.00 0.00 O ATOM 1405 CB LYS A 99 17.576 3.925 0.657 1.00 0.00 C ATOM 1406 CG LYS A 99 18.453 5.153 0.484 1.00 0.00 C ATOM 1407 CD LYS A 99 19.062 5.212 -0.906 1.00 0.00 C ATOM 1408 CE LYS A 99 20.255 4.277 -1.032 1.00 0.00 C ATOM 1409 NZ LYS A 99 20.566 3.964 -2.454 1.00 0.00 N ATOM 0 H LYS A 99 16.005 2.110 1.240 1.00 0.00 H new ATOM 0 HA LYS A 99 17.415 3.865 2.800 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.206 3.035 0.652 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.904 3.845 -0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.862 6.051 0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 99 19.248 5.142 1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 99 18.308 4.944 -1.646 1.00 0.00 H new ATOM 0 HD3 LYS A 99 19.374 6.233 -1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 99 21.126 4.734 -0.562 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.050 3.352 -0.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 20.741 2.944 -2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 19.762 4.238 -3.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 21.413 4.491 -2.748 1.00 0.00 H new ATOM 1423 N ASN A 100 14.972 5.411 1.184 1.00 0.00 N ATOM 1424 CA ASN A 100 14.155 6.619 1.179 1.00 0.00 C ATOM 1425 C ASN A 100 13.695 6.971 2.590 1.00 0.00 C ATOM 1426 O ASN A 100 13.352 8.119 2.875 1.00 0.00 O ATOM 1427 CB ASN A 100 12.940 6.433 0.267 1.00 0.00 C ATOM 1428 CG ASN A 100 12.325 7.754 -0.153 1.00 0.00 C ATOM 1429 OD1 ASN A 100 11.242 8.120 0.304 1.00 0.00 O ATOM 1430 ND2 ASN A 100 13.015 8.477 -1.027 1.00 0.00 N ATOM 0 H ASN A 100 14.709 4.720 0.481 1.00 0.00 H new ATOM 0 HA ASN A 100 14.765 7.439 0.800 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.238 5.875 -0.621 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.190 5.834 0.783 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.651 9.375 -1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 100 13.909 8.134 -1.379 1.00 0.00 H new ATOM 1437 N CYS A 101 13.691 5.976 3.471 1.00 0.00 N ATOM 1438 CA CYS A 101 13.274 6.178 4.853 1.00 0.00 C ATOM 1439 C CYS A 101 14.479 6.447 5.751 1.00 0.00 C ATOM 1440 O CYS A 101 14.475 7.385 6.548 1.00 0.00 O ATOM 1441 CB CYS A 101 12.508 4.956 5.362 1.00 0.00 C ATOM 1442 SG CYS A 101 10.714 5.023 5.056 1.00 0.00 S ATOM 0 H CYS A 101 13.972 5.020 3.252 1.00 0.00 H new ATOM 0 HA CYS A 101 12.618 7.048 4.884 1.00 0.00 H new ATOM 0 HB2 CYS A 101 12.914 4.063 4.887 1.00 0.00 H new ATOM 0 HB3 CYS A 101 12.679 4.853 6.434 1.00 0.00 H new ATOM 0 HG CYS A 101 10.439 4.401 3.948 1.00 0.00 H new ATOM 1447 N ARG A 102 15.508 5.617 5.614 1.00 0.00 N ATOM 1448 CA ARG A 102 16.719 5.764 6.412 1.00 0.00 C ATOM 1449 C ARG A 102 17.239 7.197 6.353 1.00 0.00 C ATOM 1450 O ARG A 102 17.826 7.695 7.315 1.00 0.00 O ATOM 1451 CB ARG A 102 17.799 4.798 5.922 1.00 0.00 C ATOM 1452 CG ARG A 102 18.669 5.369 4.813 1.00 0.00 C ATOM 1453 CD ARG A 102 19.911 4.521 4.587 1.00 0.00 C ATOM 1454 NE ARG A 102 20.962 4.821 5.557 1.00 0.00 N ATOM 1455 CZ ARG A 102 22.257 4.658 5.311 1.00 0.00 C ATOM 1456 NH1 ARG A 102 22.659 4.202 4.132 1.00 0.00 N ATOM 1457 NH2 ARG A 102 23.153 4.953 6.244 1.00 0.00 N ATOM 0 H ARG A 102 15.527 4.836 4.958 1.00 0.00 H new ATOM 0 HA ARG A 102 16.472 5.528 7.447 1.00 0.00 H new ATOM 0 HB2 ARG A 102 18.434 4.519 6.763 1.00 0.00 H new ATOM 0 HB3 ARG A 102 17.323 3.885 5.565 1.00 0.00 H new ATOM 0 HG2 ARG A 102 18.093 5.426 3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 102 18.964 6.387 5.068 1.00 0.00 H new ATOM 0 HD2 ARG A 102 19.647 3.466 4.654 1.00 0.00 H new ATOM 0 HD3 ARG A 102 20.288 4.692 3.579 1.00 0.00 H new ATOM 0 HE ARG A 102 20.686 5.175 6.473 1.00 0.00 H new ATOM 0 HH11 ARG A 102 21.973 3.976 3.412 1.00 0.00 H new ATOM 0 HH12 ARG A 102 23.654 4.078 3.946 1.00 0.00 H new ATOM 0 HH21 ARG A 102 22.848 5.305 7.151 1.00 0.00 H new ATOM 0 HH22 ARG A 102 24.147 4.827 6.054 1.00 0.00 H new ATOM 1471 N ILE A 103 17.020 7.855 5.220 1.00 0.00 N ATOM 1472 CA ILE A 103 17.465 9.230 5.036 1.00 0.00 C ATOM 1473 C ILE A 103 17.394 10.010 6.345 1.00 0.00 C ATOM 1474 O ILE A 103 16.319 10.179 6.921 1.00 0.00 O ATOM 1475 CB ILE A 103 16.623 9.958 3.972 1.00 0.00 C ATOM 1476 CG1 ILE A 103 16.702 9.218 2.634 1.00 0.00 C ATOM 1477 CG2 ILE A 103 17.093 11.396 3.817 1.00 0.00 C ATOM 1478 CD1 ILE A 103 18.091 8.718 2.302 1.00 0.00 C ATOM 0 H ILE A 103 16.536 7.457 4.415 1.00 0.00 H new ATOM 0 HA ILE A 103 18.500 9.184 4.698 1.00 0.00 H new ATOM 0 HB ILE A 103 15.583 9.970 4.298 1.00 0.00 H new ATOM 0 HG12 ILE A 103 16.015 8.372 2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 103 16.364 9.883 1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 103 16.488 11.897 3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 103 16.990 11.917 4.769 1.00 0.00 H new ATOM 0 HG23 ILE A 103 18.139 11.406 3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 103 18.073 8.204 1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 103 18.779 9.562 2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 103 18.424 8.027 3.077 1.00 0.00 H new