USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 621 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 20 LYS NZ :NH3+ 171:sc= 1.22 (180deg=1.2) USER MOD Set 1.2: A 88 THR OG1 : rot -110:sc= 0.97 USER MOD Set 2.1: A 78 HIS : no HE2:sc= -0.515 K(o=0.7,f=-7.4!) USER MOD Set 2.2: B 208 THR OG1 : rot 108:sc= 1.22 USER MOD Set 3.1: A 69 ASN : amide:sc= 0.551 K(o=0.42,f=-7.9!) USER MOD Set 3.2: A 93 HIS : no HD1:sc= -0.127 X(o=0.42,f=0.55) USER MOD Single : A 13 THR OG1 : rot -29:sc= 0.275 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -36:sc= 0.26 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0297 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.563 USER MOD Single : A 43 TYR OH : rot 180:sc= 0.287 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -36:sc= 0.32 USER MOD Single : A 60 HIS : no HD1:sc= -2.15! C(o=-2.1!,f=-2.5!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 121:sc= 1.28 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.676 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 84 THR OG1 : rot 98:sc= 1.3 USER MOD Single : A 87 ASN : amide:sc= -0.0557 K(o=-0.056,f=-1.2) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 209 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 13 -6.871 -8.065 -5.974 1.00 0.00 N ATOM 74 CA THR A 13 -6.101 -6.860 -5.968 1.00 0.00 C ATOM 75 C THR A 13 -6.911 -5.628 -6.179 1.00 0.00 C ATOM 76 O THR A 13 -7.869 -5.591 -6.950 1.00 0.00 O ATOM 77 CB THR A 13 -4.975 -6.870 -6.958 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.351 -7.483 -8.182 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.808 -7.686 -6.378 1.00 0.00 C ATOM 0 HA THR A 13 -5.687 -6.832 -4.960 1.00 0.00 H new ATOM 0 HB THR A 13 -4.696 -5.833 -7.148 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.042 -8.156 -8.012 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.984 -7.699 -7.091 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.474 -7.231 -5.445 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.138 -8.707 -6.186 1.00 0.00 H new ATOM 87 N PHE A 14 -6.535 -4.539 -5.485 1.00 0.00 N ATOM 88 CA PHE A 14 -7.101 -3.235 -5.640 1.00 0.00 C ATOM 89 C PHE A 14 -5.998 -2.241 -5.762 1.00 0.00 C ATOM 90 O PHE A 14 -5.171 -2.073 -4.867 1.00 0.00 O ATOM 91 CB PHE A 14 -8.150 -2.750 -4.626 1.00 0.00 C ATOM 92 CG PHE A 14 -8.013 -3.126 -3.190 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.870 -4.430 -2.780 1.00 0.00 C ATOM 94 CD2 PHE A 14 -8.146 -2.160 -2.221 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.727 -4.756 -1.453 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.984 -2.465 -0.890 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.761 -3.765 -0.499 1.00 0.00 C ATOM 0 H PHE A 14 -5.799 -4.570 -4.780 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.700 -3.328 -6.546 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.175 -1.661 -4.677 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.122 -3.107 -4.966 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.870 -5.218 -3.519 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.381 -1.146 -2.509 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.588 -5.786 -1.160 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.032 -1.681 -0.149 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.614 -4.005 0.544 1.00 0.00 H new ATOM 107 N GLU A 15 -5.945 -1.538 -6.907 1.00 0.00 N ATOM 108 CA GLU A 15 -5.055 -0.449 -7.167 1.00 0.00 C ATOM 109 C GLU A 15 -5.723 0.829 -6.790 1.00 0.00 C ATOM 110 O GLU A 15 -6.390 1.482 -7.591 1.00 0.00 O ATOM 111 CB GLU A 15 -4.563 -0.431 -8.624 1.00 0.00 C ATOM 112 CG GLU A 15 -4.655 -1.753 -9.389 1.00 0.00 C ATOM 113 CD GLU A 15 -6.000 -1.940 -10.077 1.00 0.00 C ATOM 114 OE1 GLU A 15 -7.042 -2.055 -9.378 1.00 0.00 O ATOM 115 OE2 GLU A 15 -6.024 -1.986 -11.335 1.00 0.00 O ATOM 0 H GLU A 15 -6.558 -1.741 -7.696 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.161 -0.577 -6.556 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.136 0.320 -9.169 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.523 -0.105 -8.630 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.861 -1.793 -10.135 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.486 -2.580 -8.699 1.00 0.00 H new ATOM 122 N VAL A 16 -5.599 1.193 -5.502 1.00 0.00 N ATOM 123 CA VAL A 16 -6.106 2.380 -4.886 1.00 0.00 C ATOM 124 C VAL A 16 -5.192 3.526 -5.159 1.00 0.00 C ATOM 125 O VAL A 16 -4.006 3.330 -5.419 1.00 0.00 O ATOM 126 CB VAL A 16 -6.201 2.140 -3.409 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.855 3.303 -2.642 1.00 0.00 C ATOM 128 CG2 VAL A 16 -7.032 0.872 -3.154 1.00 0.00 C ATOM 0 H VAL A 16 -5.100 0.605 -4.835 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.089 2.621 -5.290 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.179 2.037 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.892 3.063 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.270 4.211 -2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.868 3.460 -3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.104 0.694 -2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.032 1.003 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.550 0.019 -3.632 1.00 0.00 H new ATOM 138 N GLU A 17 -5.660 4.785 -5.100 1.00 0.00 N ATOM 139 CA GLU A 17 -4.817 5.940 -5.074 1.00 0.00 C ATOM 140 C GLU A 17 -5.222 6.753 -3.894 1.00 0.00 C ATOM 141 O GLU A 17 -6.405 6.951 -3.619 1.00 0.00 O ATOM 142 CB GLU A 17 -4.826 6.711 -6.406 1.00 0.00 C ATOM 143 CG GLU A 17 -5.673 7.985 -6.448 1.00 0.00 C ATOM 144 CD GLU A 17 -5.942 8.507 -7.852 1.00 0.00 C ATOM 145 OE1 GLU A 17 -4.989 8.862 -8.596 1.00 0.00 O ATOM 146 OE2 GLU A 17 -7.144 8.625 -8.209 1.00 0.00 O ATOM 0 H GLU A 17 -6.655 5.007 -5.069 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.772 5.652 -4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.798 6.975 -6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.180 6.039 -7.188 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.626 7.791 -5.955 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.169 8.762 -5.873 1.00 0.00 H new ATOM 153 N LEU A 18 -4.239 7.204 -3.093 1.00 0.00 N ATOM 154 CA LEU A 18 -4.478 7.958 -1.902 1.00 0.00 C ATOM 155 C LEU A 18 -3.637 9.189 -1.913 1.00 0.00 C ATOM 156 O LEU A 18 -2.544 9.215 -2.477 1.00 0.00 O ATOM 157 CB LEU A 18 -4.071 7.176 -0.642 1.00 0.00 C ATOM 158 CG LEU A 18 -4.791 5.831 -0.440 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.179 5.131 0.785 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.316 5.976 -0.315 1.00 0.00 C ATOM 0 H LEU A 18 -3.250 7.039 -3.280 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.544 8.183 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.997 6.992 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.257 7.803 0.230 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.640 5.219 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.677 4.175 0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.116 4.962 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.310 5.759 1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.765 4.993 -0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.552 6.608 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.714 6.430 -1.223 1.00 0.00 H new ATOM 172 N ALA A 19 -4.104 10.237 -1.212 1.00 0.00 N ATOM 173 CA ALA A 19 -3.333 11.394 -0.877 1.00 0.00 C ATOM 174 C ALA A 19 -3.223 11.493 0.605 1.00 0.00 C ATOM 175 O ALA A 19 -4.198 11.736 1.314 1.00 0.00 O ATOM 176 CB ALA A 19 -3.939 12.659 -1.509 1.00 0.00 C ATOM 0 H ALA A 19 -5.062 10.280 -0.863 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.327 11.301 -1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.335 13.525 -1.240 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.956 12.551 -2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.956 12.798 -1.142 1.00 0.00 H new ATOM 182 N LYS A 20 -2.010 11.255 1.135 1.00 0.00 N ATOM 183 CA LYS A 20 -1.633 11.296 2.515 1.00 0.00 C ATOM 184 C LYS A 20 -1.832 12.616 3.177 1.00 0.00 C ATOM 185 O LYS A 20 -1.601 13.681 2.608 1.00 0.00 O ATOM 186 CB LYS A 20 -0.162 10.870 2.662 1.00 0.00 C ATOM 187 CG LYS A 20 0.767 11.537 1.647 1.00 0.00 C ATOM 188 CD LYS A 20 2.257 11.254 1.847 1.00 0.00 C ATOM 189 CE LYS A 20 2.692 9.862 1.386 1.00 0.00 C ATOM 190 NZ LYS A 20 4.111 9.654 1.752 1.00 0.00 N ATOM 0 H LYS A 20 -1.219 11.011 0.539 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.302 10.601 3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.179 11.110 3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.092 9.788 2.552 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.482 11.210 0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.609 12.615 1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.835 12.002 1.305 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.500 11.368 2.903 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.068 9.099 1.851 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.563 9.765 0.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.372 8.662 1.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.713 10.274 1.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.247 9.880 2.758 1.00 0.00 H new ATOM 204 N THR A 21 -2.279 12.598 4.446 1.00 0.00 N ATOM 205 CA THR A 21 -2.623 13.774 5.181 1.00 0.00 C ATOM 206 C THR A 21 -1.514 14.114 6.115 1.00 0.00 C ATOM 207 O THR A 21 -1.140 13.340 6.995 1.00 0.00 O ATOM 208 CB THR A 21 -3.982 13.676 5.812 1.00 0.00 C ATOM 209 OG1 THR A 21 -4.497 14.957 6.140 1.00 0.00 O ATOM 210 CG2 THR A 21 -4.053 12.783 7.062 1.00 0.00 C ATOM 0 H THR A 21 -2.405 11.736 4.977 1.00 0.00 H new ATOM 0 HA THR A 21 -2.726 14.618 4.499 1.00 0.00 H new ATOM 0 HB THR A 21 -4.592 13.200 5.045 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.383 14.859 6.547 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.073 12.775 7.446 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.755 11.767 6.801 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.381 13.173 7.826 1.00 0.00 H new ATOM 218 N ASP A 22 -0.851 15.259 5.870 1.00 0.00 N ATOM 219 CA ASP A 22 0.365 15.741 6.449 1.00 0.00 C ATOM 220 C ASP A 22 1.590 14.904 6.311 1.00 0.00 C ATOM 221 O ASP A 22 2.709 15.390 6.463 1.00 0.00 O ATOM 222 CB ASP A 22 0.186 16.196 7.907 1.00 0.00 C ATOM 223 CG ASP A 22 -0.879 17.279 8.003 1.00 0.00 C ATOM 224 OD1 ASP A 22 -0.712 18.340 7.345 1.00 0.00 O ATOM 225 OD2 ASP A 22 -1.891 17.077 8.726 1.00 0.00 O ATOM 0 H ASP A 22 -1.213 15.922 5.185 1.00 0.00 H new ATOM 0 HA ASP A 22 0.570 16.598 5.808 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.096 15.345 8.527 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.132 16.573 8.295 1.00 0.00 H new ATOM 230 N GLY A 23 1.459 13.604 5.993 1.00 0.00 N ATOM 231 CA GLY A 23 2.528 12.665 5.850 1.00 0.00 C ATOM 232 C GLY A 23 2.165 11.397 6.544 1.00 0.00 C ATOM 233 O GLY A 23 2.855 10.965 7.465 1.00 0.00 O ATOM 0 H GLY A 23 0.546 13.182 5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.720 12.473 4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.446 13.074 6.272 1.00 0.00 H new ATOM 237 N SER A 24 1.054 10.764 6.127 1.00 0.00 N ATOM 238 CA SER A 24 0.464 9.611 6.734 1.00 0.00 C ATOM 239 C SER A 24 -0.708 9.279 5.876 1.00 0.00 C ATOM 240 O SER A 24 -1.598 10.093 5.633 1.00 0.00 O ATOM 241 CB SER A 24 0.072 9.718 8.217 1.00 0.00 C ATOM 242 OG SER A 24 -0.938 10.677 8.494 1.00 0.00 O ATOM 0 H SER A 24 0.533 11.080 5.309 1.00 0.00 H new ATOM 0 HA SER A 24 1.220 8.827 6.777 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.269 8.741 8.560 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.960 9.968 8.797 1.00 0.00 H new ATOM 0 HG SER A 24 -0.822 11.453 7.907 1.00 0.00 H new ATOM 248 N LEU A 25 -0.710 8.055 5.318 1.00 0.00 N ATOM 249 CA LEU A 25 -1.807 7.429 4.648 1.00 0.00 C ATOM 250 C LEU A 25 -2.708 6.900 5.710 1.00 0.00 C ATOM 251 O LEU A 25 -3.934 6.975 5.641 1.00 0.00 O ATOM 252 CB LEU A 25 -1.271 6.240 3.834 1.00 0.00 C ATOM 253 CG LEU A 25 -0.097 6.546 2.888 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.685 5.246 2.640 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.528 7.237 1.584 1.00 0.00 C ATOM 0 H LEU A 25 0.118 7.460 5.338 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.324 8.127 3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.958 5.461 4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.091 5.830 3.243 1.00 0.00 H new ATOM 0 HG LEU A 25 0.556 7.273 3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.521 5.447 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.063 4.862 3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.026 4.506 2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.349 7.423 0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.224 6.594 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.015 8.184 1.818 1.00 0.00 H new ATOM 267 N GLY A 26 -2.080 6.347 6.763 1.00 0.00 N ATOM 268 CA GLY A 26 -2.717 5.935 7.975 1.00 0.00 C ATOM 269 C GLY A 26 -2.575 4.470 8.210 1.00 0.00 C ATOM 270 O GLY A 26 -3.425 3.848 8.846 1.00 0.00 O ATOM 0 H GLY A 26 -1.074 6.179 6.769 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.286 6.480 8.815 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.775 6.195 7.935 1.00 0.00 H new ATOM 274 N ILE A 27 -1.476 3.878 7.711 1.00 0.00 N ATOM 275 CA ILE A 27 -1.192 2.501 7.974 1.00 0.00 C ATOM 276 C ILE A 27 0.049 2.367 8.787 1.00 0.00 C ATOM 277 O ILE A 27 1.082 2.964 8.489 1.00 0.00 O ATOM 278 CB ILE A 27 -1.149 1.679 6.719 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.170 2.235 5.671 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.597 1.629 6.204 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.003 1.311 4.465 1.00 0.00 C ATOM 0 H ILE A 27 -0.786 4.350 7.127 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.016 2.097 8.563 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.768 0.679 6.924 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.524 3.208 5.331 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.802 2.395 6.138 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.637 1.042 5.286 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.235 1.168 6.958 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.947 2.642 6.002 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.699 1.756 3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.379 0.345 4.797 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.968 1.172 3.977 1.00 0.00 H new ATOM 293 N SER A 28 -0.025 1.570 9.869 1.00 0.00 N ATOM 294 CA SER A 28 1.125 1.042 10.533 1.00 0.00 C ATOM 295 C SER A 28 1.607 -0.199 9.863 1.00 0.00 C ATOM 296 O SER A 28 0.904 -1.207 9.833 1.00 0.00 O ATOM 297 CB SER A 28 0.927 0.610 11.996 1.00 0.00 C ATOM 298 OG SER A 28 0.760 1.742 12.835 1.00 0.00 O ATOM 0 H SER A 28 -0.908 1.286 10.293 1.00 0.00 H new ATOM 0 HA SER A 28 1.816 1.884 10.491 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.054 -0.039 12.074 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.787 0.029 12.328 1.00 0.00 H new ATOM 0 HG SER A 28 0.634 1.447 13.761 1.00 0.00 H new ATOM 304 N VAL A 29 2.838 -0.178 9.320 1.00 0.00 N ATOM 305 CA VAL A 29 3.352 -1.264 8.546 1.00 0.00 C ATOM 306 C VAL A 29 4.017 -2.348 9.323 1.00 0.00 C ATOM 307 O VAL A 29 4.844 -2.115 10.203 1.00 0.00 O ATOM 308 CB VAL A 29 4.208 -0.755 7.424 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.344 0.152 6.531 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.444 -0.003 7.947 1.00 0.00 C ATOM 0 H VAL A 29 3.485 0.604 9.420 1.00 0.00 H new ATOM 0 HA VAL A 29 2.476 -1.759 8.126 1.00 0.00 H new ATOM 0 HB VAL A 29 4.583 -1.599 6.845 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.948 0.534 5.708 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.507 -0.421 6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.964 0.987 7.120 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.039 0.350 7.104 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.125 0.849 8.548 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.046 -0.674 8.560 1.00 0.00 H new ATOM 320 N THR A 30 3.661 -3.610 9.021 1.00 0.00 N ATOM 321 CA THR A 30 4.230 -4.815 9.541 1.00 0.00 C ATOM 322 C THR A 30 4.611 -5.714 8.416 1.00 0.00 C ATOM 323 O THR A 30 4.188 -5.544 7.274 1.00 0.00 O ATOM 324 CB THR A 30 3.356 -5.539 10.523 1.00 0.00 C ATOM 325 OG1 THR A 30 3.950 -6.687 11.109 1.00 0.00 O ATOM 326 CG2 THR A 30 2.030 -5.993 9.888 1.00 0.00 C ATOM 0 H THR A 30 2.911 -3.801 8.356 1.00 0.00 H new ATOM 0 HA THR A 30 5.113 -4.518 10.107 1.00 0.00 H new ATOM 0 HB THR A 30 3.190 -4.797 11.304 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.319 -7.098 11.735 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.428 -6.513 10.634 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.484 -5.123 9.524 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.237 -6.666 9.056 1.00 0.00 H new ATOM 334 N GLY A 31 5.457 -6.718 8.712 1.00 0.00 N ATOM 335 CA GLY A 31 5.978 -7.662 7.774 1.00 0.00 C ATOM 336 C GLY A 31 7.338 -7.278 7.300 1.00 0.00 C ATOM 337 O GLY A 31 8.197 -6.851 8.069 1.00 0.00 O ATOM 0 H GLY A 31 5.796 -6.879 9.661 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.019 -8.649 8.236 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.303 -7.737 6.921 1.00 0.00 H new ATOM 341 N GLY A 32 7.570 -7.423 5.983 1.00 0.00 N ATOM 342 CA GLY A 32 8.806 -7.097 5.344 1.00 0.00 C ATOM 343 C GLY A 32 9.613 -8.330 5.121 1.00 0.00 C ATOM 344 O GLY A 32 9.483 -9.324 5.834 1.00 0.00 O ATOM 0 H GLY A 32 6.867 -7.782 5.337 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.612 -6.604 4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.367 -6.393 5.959 1.00 0.00 H new ATOM 348 N VAL A 33 10.524 -8.313 4.131 1.00 0.00 N ATOM 349 CA VAL A 33 11.346 -9.425 3.769 1.00 0.00 C ATOM 350 C VAL A 33 12.258 -9.885 4.854 1.00 0.00 C ATOM 351 O VAL A 33 12.719 -11.024 4.875 1.00 0.00 O ATOM 352 CB VAL A 33 12.068 -9.152 2.482 1.00 0.00 C ATOM 353 CG1 VAL A 33 13.292 -8.239 2.667 1.00 0.00 C ATOM 354 CG2 VAL A 33 12.440 -10.468 1.779 1.00 0.00 C ATOM 0 H VAL A 33 10.695 -7.487 3.558 1.00 0.00 H new ATOM 0 HA VAL A 33 10.675 -10.269 3.609 1.00 0.00 H new ATOM 0 HB VAL A 33 11.380 -8.603 1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.774 -8.077 1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 33 12.973 -7.282 3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.998 -8.711 3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.963 -10.248 0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 33 13.088 -11.057 2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.534 -11.033 1.562 1.00 0.00 H new ATOM 467 N GLY A 41 7.046 -8.111 1.036 1.00 0.00 N ATOM 468 CA GLY A 41 6.272 -6.918 0.895 1.00 0.00 C ATOM 469 C GLY A 41 5.696 -6.594 2.231 1.00 0.00 C ATOM 470 O GLY A 41 6.057 -7.230 3.219 1.00 0.00 O ATOM 0 HA2 GLY A 41 6.894 -6.098 0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.479 -7.060 0.161 1.00 0.00 H new ATOM 474 N ILE A 42 4.806 -5.589 2.309 1.00 0.00 N ATOM 475 CA ILE A 42 4.426 -5.034 3.571 1.00 0.00 C ATOM 476 C ILE A 42 2.955 -5.195 3.751 1.00 0.00 C ATOM 477 O ILE A 42 2.223 -5.530 2.822 1.00 0.00 O ATOM 478 CB ILE A 42 5.011 -3.667 3.768 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.478 -3.417 5.211 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.112 -2.497 3.337 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.734 -4.198 5.595 1.00 0.00 C ATOM 0 H ILE A 42 4.351 -5.162 1.502 1.00 0.00 H new ATOM 0 HA ILE A 42 4.864 -5.583 4.405 1.00 0.00 H new ATOM 0 HB ILE A 42 5.868 -3.683 3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.669 -2.352 5.342 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.672 -3.683 5.895 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.628 -1.555 3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.885 -2.585 2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.185 -2.521 3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.003 -3.970 6.627 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.542 -5.267 5.497 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.554 -3.915 4.935 1.00 0.00 H new ATOM 493 N TYR A 43 2.465 -5.079 4.998 1.00 0.00 N ATOM 494 CA TYR A 43 1.110 -5.384 5.338 1.00 0.00 C ATOM 495 C TYR A 43 0.716 -4.356 6.344 1.00 0.00 C ATOM 496 O TYR A 43 1.567 -3.739 6.982 1.00 0.00 O ATOM 497 CB TYR A 43 0.984 -6.717 6.094 1.00 0.00 C ATOM 498 CG TYR A 43 1.371 -7.909 5.290 1.00 0.00 C ATOM 499 CD1 TYR A 43 2.686 -8.147 4.966 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.410 -8.812 4.898 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.015 -9.202 4.148 1.00 0.00 C ATOM 502 CE2 TYR A 43 0.749 -9.926 4.167 1.00 0.00 C ATOM 503 CZ TYR A 43 2.052 -10.106 3.767 1.00 0.00 C ATOM 504 OH TYR A 43 2.404 -11.184 2.927 1.00 0.00 O ATOM 0 H TYR A 43 3.025 -4.765 5.790 1.00 0.00 H new ATOM 0 HA TYR A 43 0.518 -5.419 4.424 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.607 -6.676 6.987 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.046 -6.837 6.429 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.462 -7.504 5.355 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.622 -8.644 5.167 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.032 -9.321 3.804 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.004 -10.656 3.908 1.00 0.00 H new ATOM 0 HH TYR A 43 1.612 -11.733 2.750 1.00 0.00 H new ATOM 514 N VAL A 44 -0.594 -4.159 6.578 1.00 0.00 N ATOM 515 CA VAL A 44 -1.037 -3.309 7.639 1.00 0.00 C ATOM 516 C VAL A 44 -1.179 -4.054 8.921 1.00 0.00 C ATOM 517 O VAL A 44 -1.791 -5.119 8.979 1.00 0.00 O ATOM 518 CB VAL A 44 -2.359 -2.667 7.342 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.520 -1.481 8.309 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.427 -2.195 5.879 1.00 0.00 C ATOM 0 H VAL A 44 -1.344 -4.587 6.035 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.269 -2.541 7.731 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.168 -3.384 7.479 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.474 -0.987 8.123 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.493 -1.843 9.337 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.707 -0.772 8.153 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.396 -1.733 5.690 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.636 -1.468 5.694 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.297 -3.049 5.215 1.00 0.00 H new ATOM 530 N LYS A 45 -0.641 -3.514 10.029 1.00 0.00 N ATOM 531 CA LYS A 45 -0.857 -4.014 11.351 1.00 0.00 C ATOM 532 C LYS A 45 -2.068 -3.390 11.955 1.00 0.00 C ATOM 533 O LYS A 45 -2.916 -4.071 12.530 1.00 0.00 O ATOM 534 CB LYS A 45 0.354 -3.745 12.262 1.00 0.00 C ATOM 535 CG LYS A 45 0.617 -4.787 13.351 1.00 0.00 C ATOM 536 CD LYS A 45 -0.466 -4.946 14.419 1.00 0.00 C ATOM 537 CE LYS A 45 -0.015 -5.755 15.638 1.00 0.00 C ATOM 538 NZ LYS A 45 -1.181 -6.120 16.473 1.00 0.00 N ATOM 0 H LYS A 45 -0.031 -2.697 10.003 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.000 -5.091 11.268 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.244 -3.668 11.637 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.216 -2.775 12.740 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.766 -5.754 12.870 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.552 -4.531 13.849 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.787 -3.958 14.748 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.335 -5.431 13.973 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.504 -6.656 15.313 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.694 -5.173 16.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.860 -6.668 17.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.660 -5.256 16.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.844 -6.693 15.912 1.00 0.00 H new ATOM 552 N ALA A 46 -2.203 -2.056 11.851 1.00 0.00 N ATOM 553 CA ALA A 46 -3.308 -1.331 12.398 1.00 0.00 C ATOM 554 C ALA A 46 -3.681 -0.198 11.503 1.00 0.00 C ATOM 555 O ALA A 46 -2.829 0.549 11.026 1.00 0.00 O ATOM 556 CB ALA A 46 -2.960 -0.807 13.802 1.00 0.00 C ATOM 0 H ALA A 46 -1.524 -1.464 11.373 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.160 -2.006 12.478 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.810 -0.257 14.206 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.727 -1.647 14.456 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.096 -0.145 13.740 1.00 0.00 H new ATOM 562 N ILE A 47 -4.989 -0.033 11.239 1.00 0.00 N ATOM 563 CA ILE A 47 -5.557 1.061 10.513 1.00 0.00 C ATOM 564 C ILE A 47 -5.985 2.108 11.483 1.00 0.00 C ATOM 565 O ILE A 47 -6.718 1.822 12.427 1.00 0.00 O ATOM 566 CB ILE A 47 -6.784 0.646 9.757 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.504 -0.476 8.743 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.459 1.836 9.055 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.662 0.010 7.565 1.00 0.00 C ATOM 0 H ILE A 47 -5.692 -0.703 11.551 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.802 1.422 9.815 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.471 0.253 10.506 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.988 -1.295 9.243 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.449 -0.873 8.373 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.343 1.489 8.520 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.752 2.578 9.798 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.761 2.286 8.349 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.490 -0.816 6.875 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.189 0.811 7.047 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.705 0.383 7.931 1.00 0.00 H new ATOM 581 N ILE A 48 -5.576 3.373 11.277 1.00 0.00 N ATOM 582 CA ILE A 48 -6.074 4.444 12.083 1.00 0.00 C ATOM 583 C ILE A 48 -7.388 4.925 11.572 1.00 0.00 C ATOM 584 O ILE A 48 -7.532 5.126 10.367 1.00 0.00 O ATOM 585 CB ILE A 48 -5.133 5.601 12.245 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.733 6.287 10.929 1.00 0.00 C ATOM 587 CG2 ILE A 48 -3.937 5.073 13.057 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.457 7.122 11.026 1.00 0.00 C ATOM 0 H ILE A 48 -4.907 3.652 10.560 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.190 4.014 13.078 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.631 6.413 12.775 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.599 5.526 10.160 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.551 6.929 10.603 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.216 5.876 13.206 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.285 4.713 14.025 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.462 4.255 12.515 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.243 7.573 10.057 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.592 7.907 11.770 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.625 6.482 11.321 1.00 0.00 H new ATOM 643 N ALA A 52 -6.304 8.419 5.255 1.00 0.00 N ATOM 644 CA ALA A 52 -6.517 8.273 3.849 1.00 0.00 C ATOM 645 C ALA A 52 -6.742 6.848 3.473 1.00 0.00 C ATOM 646 O ALA A 52 -7.595 6.530 2.646 1.00 0.00 O ATOM 647 CB ALA A 52 -5.280 8.853 3.142 1.00 0.00 C ATOM 0 HA ALA A 52 -7.417 8.808 3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.401 8.761 2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.169 9.905 3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.392 8.305 3.455 1.00 0.00 H new ATOM 653 N ALA A 53 -6.005 5.910 4.093 1.00 0.00 N ATOM 654 CA ALA A 53 -6.077 4.506 3.833 1.00 0.00 C ATOM 655 C ALA A 53 -7.369 3.884 4.238 1.00 0.00 C ATOM 656 O ALA A 53 -8.035 3.216 3.447 1.00 0.00 O ATOM 657 CB ALA A 53 -4.887 3.829 4.532 1.00 0.00 C ATOM 0 H ALA A 53 -5.323 6.144 4.814 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.026 4.359 2.754 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.920 2.755 4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.955 4.236 4.140 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.941 4.015 5.605 1.00 0.00 H new ATOM 663 N GLU A 54 -7.829 4.156 5.473 1.00 0.00 N ATOM 664 CA GLU A 54 -9.151 3.871 5.936 1.00 0.00 C ATOM 665 C GLU A 54 -10.201 4.503 5.088 1.00 0.00 C ATOM 666 O GLU A 54 -11.267 3.940 4.842 1.00 0.00 O ATOM 667 CB GLU A 54 -9.291 4.396 7.375 1.00 0.00 C ATOM 668 CG GLU A 54 -10.663 4.279 8.041 1.00 0.00 C ATOM 669 CD GLU A 54 -11.294 2.899 8.159 1.00 0.00 C ATOM 670 OE1 GLU A 54 -10.600 1.848 8.145 1.00 0.00 O ATOM 671 OE2 GLU A 54 -12.546 2.856 8.295 1.00 0.00 O ATOM 0 H GLU A 54 -7.247 4.598 6.185 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.296 2.792 5.888 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.569 3.867 7.997 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.004 5.448 7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.581 4.694 9.046 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.355 4.915 7.489 1.00 0.00 H new ATOM 678 N SER A 55 -9.908 5.699 4.549 1.00 0.00 N ATOM 679 CA SER A 55 -10.775 6.403 3.656 1.00 0.00 C ATOM 680 C SER A 55 -10.921 5.804 2.300 1.00 0.00 C ATOM 681 O SER A 55 -11.771 6.239 1.526 1.00 0.00 O ATOM 682 CB SER A 55 -10.376 7.882 3.514 1.00 0.00 C ATOM 683 OG SER A 55 -11.416 8.685 2.978 1.00 0.00 O ATOM 0 H SER A 55 -9.037 6.194 4.741 1.00 0.00 H new ATOM 0 HA SER A 55 -11.750 6.318 4.136 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.090 8.271 4.491 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.498 7.956 2.872 1.00 0.00 H new ATOM 0 HG SER A 55 -11.910 8.173 2.304 1.00 0.00 H new ATOM 689 N ASP A 56 -10.190 4.739 1.923 1.00 0.00 N ATOM 690 CA ASP A 56 -10.613 3.906 0.842 1.00 0.00 C ATOM 691 C ASP A 56 -11.818 3.149 1.286 1.00 0.00 C ATOM 692 O ASP A 56 -12.953 3.525 0.996 1.00 0.00 O ATOM 693 CB ASP A 56 -9.475 2.976 0.390 1.00 0.00 C ATOM 694 CG ASP A 56 -9.947 2.163 -0.806 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.202 2.781 -1.875 1.00 0.00 O ATOM 696 OD2 ASP A 56 -10.167 0.931 -0.657 1.00 0.00 O ATOM 0 H ASP A 56 -9.314 4.457 2.363 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.873 4.511 -0.027 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.594 3.560 0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.184 2.313 1.205 1.00 0.00 H new ATOM 701 N GLY A 57 -11.610 2.073 2.064 1.00 0.00 N ATOM 702 CA GLY A 57 -12.680 1.398 2.729 1.00 0.00 C ATOM 703 C GLY A 57 -12.524 -0.081 2.630 1.00 0.00 C ATOM 704 O GLY A 57 -13.098 -0.842 3.406 1.00 0.00 O ATOM 0 H GLY A 57 -10.690 1.667 2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.706 1.695 3.777 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.632 1.697 2.290 1.00 0.00 H new ATOM 708 N ARG A 58 -11.728 -0.537 1.646 1.00 0.00 N ATOM 709 CA ARG A 58 -11.429 -1.922 1.449 1.00 0.00 C ATOM 710 C ARG A 58 -10.283 -2.360 2.295 1.00 0.00 C ATOM 711 O ARG A 58 -10.254 -3.498 2.761 1.00 0.00 O ATOM 712 CB ARG A 58 -11.141 -2.159 -0.043 1.00 0.00 C ATOM 713 CG ARG A 58 -12.362 -1.922 -0.934 1.00 0.00 C ATOM 714 CD ARG A 58 -12.031 -1.836 -2.425 1.00 0.00 C ATOM 715 NE ARG A 58 -11.316 -0.547 -2.650 1.00 0.00 N ATOM 716 CZ ARG A 58 -11.083 -0.036 -3.893 1.00 0.00 C ATOM 717 NH1 ARG A 58 -11.391 -0.735 -5.024 1.00 0.00 N ATOM 718 NH2 ARG A 58 -10.517 1.199 -4.026 1.00 0.00 N ATOM 0 H ARG A 58 -11.279 0.077 0.966 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.288 -2.520 1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.333 -1.499 -0.360 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.790 -3.182 -0.181 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.077 -2.729 -0.776 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.851 -0.998 -0.626 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.409 -2.678 -2.729 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.941 -1.879 -3.023 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.987 -0.024 -1.838 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.806 -1.664 -4.952 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.206 -0.329 -5.941 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.269 1.738 -3.197 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.342 1.583 -4.955 1.00 0.00 H new ATOM 732 N ILE A 59 -9.303 -1.477 2.556 1.00 0.00 N ATOM 733 CA ILE A 59 -8.153 -1.722 3.370 1.00 0.00 C ATOM 734 C ILE A 59 -8.489 -1.946 4.804 1.00 0.00 C ATOM 735 O ILE A 59 -9.139 -1.116 5.437 1.00 0.00 O ATOM 736 CB ILE A 59 -7.185 -0.578 3.323 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.002 -0.045 1.892 1.00 0.00 C ATOM 738 CG2 ILE A 59 -5.848 -1.054 3.917 1.00 0.00 C ATOM 739 CD1 ILE A 59 -5.942 1.051 1.784 1.00 0.00 C ATOM 0 H ILE A 59 -9.315 -0.531 2.174 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.710 -2.626 2.952 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.577 0.253 3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.728 -0.872 1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.955 0.344 1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.128 -0.236 3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.001 -1.373 4.948 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.467 -1.891 3.331 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.864 1.381 0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.225 1.894 2.414 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.979 0.660 2.113 1.00 0.00 H new ATOM 751 N HIS A 60 -8.039 -3.069 5.389 1.00 0.00 N ATOM 752 CA HIS A 60 -8.146 -3.324 6.792 1.00 0.00 C ATOM 753 C HIS A 60 -6.870 -3.900 7.303 1.00 0.00 C ATOM 754 O HIS A 60 -5.907 -4.118 6.570 1.00 0.00 O ATOM 755 CB HIS A 60 -9.360 -4.207 7.128 1.00 0.00 C ATOM 756 CG HIS A 60 -9.744 -4.297 8.575 1.00 0.00 C ATOM 757 ND1 HIS A 60 -9.732 -3.165 9.364 1.00 0.00 N ATOM 758 CD2 HIS A 60 -10.213 -5.362 9.278 1.00 0.00 C ATOM 759 CE1 HIS A 60 -10.215 -3.555 10.530 1.00 0.00 C ATOM 760 NE2 HIS A 60 -10.515 -4.881 10.535 1.00 0.00 N ATOM 0 H HIS A 60 -7.587 -3.823 4.871 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.318 -2.376 7.301 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.218 -3.833 6.570 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.159 -5.215 6.765 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.326 -6.376 8.925 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.355 -2.900 11.377 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -10.891 -5.417 11.317 1.00 0.00 H new ATOM 768 N LYS A 61 -6.782 -4.161 8.619 1.00 0.00 N ATOM 769 CA LYS A 61 -5.585 -4.571 9.285 1.00 0.00 C ATOM 770 C LYS A 61 -5.238 -6.013 9.143 1.00 0.00 C ATOM 771 O LYS A 61 -5.067 -6.766 10.102 1.00 0.00 O ATOM 772 CB LYS A 61 -5.600 -4.124 10.757 1.00 0.00 C ATOM 773 CG LYS A 61 -6.922 -4.303 11.506 1.00 0.00 C ATOM 774 CD LYS A 61 -6.749 -4.027 13.002 1.00 0.00 C ATOM 775 CE LYS A 61 -8.075 -3.814 13.735 1.00 0.00 C ATOM 776 NZ LYS A 61 -7.834 -3.670 15.188 1.00 0.00 N ATOM 0 H LYS A 61 -7.582 -4.083 9.247 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.777 -4.057 8.764 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.827 -4.677 11.290 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.324 -3.070 10.798 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.672 -3.628 11.093 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.292 -5.318 11.361 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.219 -4.862 13.460 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.124 -3.143 13.132 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.573 -2.924 13.351 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.741 -4.657 13.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.740 -3.526 15.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.377 -4.531 15.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.215 -2.852 15.358 1.00 0.00 H new ATOM 790 N GLY A 62 -5.066 -6.440 7.879 1.00 0.00 N ATOM 791 CA GLY A 62 -4.653 -7.756 7.503 1.00 0.00 C ATOM 792 C GLY A 62 -4.214 -7.851 6.082 1.00 0.00 C ATOM 793 O GLY A 62 -3.658 -8.871 5.677 1.00 0.00 O ATOM 0 H GLY A 62 -5.224 -5.832 7.075 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.835 -8.072 8.151 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.477 -8.450 7.669 1.00 0.00 H new ATOM 797 N ASP A 63 -4.441 -6.805 5.266 1.00 0.00 N ATOM 798 CA ASP A 63 -4.192 -6.835 3.859 1.00 0.00 C ATOM 799 C ASP A 63 -2.753 -6.666 3.508 1.00 0.00 C ATOM 800 O ASP A 63 -1.978 -6.027 4.219 1.00 0.00 O ATOM 801 CB ASP A 63 -4.969 -5.715 3.146 1.00 0.00 C ATOM 802 CG ASP A 63 -6.468 -5.954 3.254 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.971 -7.037 2.852 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.188 -5.039 3.736 1.00 0.00 O ATOM 0 H ASP A 63 -4.809 -5.913 5.596 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.519 -7.822 3.532 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.716 -4.751 3.587 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.676 -5.672 2.097 1.00 0.00 H new ATOM 809 N ARG A 64 -2.358 -7.193 2.336 1.00 0.00 N ATOM 810 CA ARG A 64 -1.052 -7.063 1.767 1.00 0.00 C ATOM 811 C ARG A 64 -1.011 -5.767 1.033 1.00 0.00 C ATOM 812 O ARG A 64 -1.969 -5.402 0.353 1.00 0.00 O ATOM 813 CB ARG A 64 -0.817 -8.199 0.757 1.00 0.00 C ATOM 814 CG ARG A 64 0.537 -8.909 0.723 1.00 0.00 C ATOM 815 CD ARG A 64 1.788 -8.035 0.598 1.00 0.00 C ATOM 816 NE ARG A 64 2.689 -8.626 -0.430 1.00 0.00 N ATOM 817 CZ ARG A 64 3.852 -9.302 -0.192 1.00 0.00 C ATOM 818 NH1 ARG A 64 4.121 -9.890 1.010 1.00 0.00 N ATOM 819 NH2 ARG A 64 4.767 -9.385 -1.201 1.00 0.00 N ATOM 0 H ARG A 64 -2.988 -7.742 1.751 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.292 -7.105 2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.579 -8.958 0.936 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.998 -7.794 -0.238 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.630 -9.501 1.633 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.530 -9.608 -0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.511 -7.019 0.317 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.301 -7.972 1.558 1.00 0.00 H new ATOM 0 HE ARG A 64 2.411 -8.515 -1.405 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.442 -9.833 1.769 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.001 -10.386 1.149 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.573 -8.949 -2.102 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.645 -9.883 -1.054 1.00 0.00 H new ATOM 833 N VAL A 65 0.089 -4.997 1.121 1.00 0.00 N ATOM 834 CA VAL A 65 0.396 -3.954 0.192 1.00 0.00 C ATOM 835 C VAL A 65 1.621 -4.401 -0.528 1.00 0.00 C ATOM 836 O VAL A 65 2.678 -4.645 0.051 1.00 0.00 O ATOM 837 CB VAL A 65 0.451 -2.570 0.767 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.051 -2.585 2.183 1.00 0.00 C ATOM 839 CG2 VAL A 65 1.197 -1.591 -0.156 1.00 0.00 C ATOM 0 H VAL A 65 0.785 -5.103 1.860 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.427 -3.818 -0.510 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.574 -2.208 0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.079 -1.569 2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.436 -3.209 2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.063 -2.988 2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.213 -0.601 0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.220 -1.938 -0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.688 -1.539 -1.119 1.00 0.00 H new ATOM 849 N LEU A 66 1.486 -4.625 -1.847 1.00 0.00 N ATOM 850 CA LEU A 66 2.498 -5.205 -2.673 1.00 0.00 C ATOM 851 C LEU A 66 3.254 -4.202 -3.476 1.00 0.00 C ATOM 852 O LEU A 66 4.426 -4.434 -3.766 1.00 0.00 O ATOM 853 CB LEU A 66 1.972 -6.311 -3.604 1.00 0.00 C ATOM 854 CG LEU A 66 0.754 -6.000 -4.490 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.834 -6.806 -5.797 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.546 -6.379 -3.760 1.00 0.00 C ATOM 0 H LEU A 66 0.635 -4.392 -2.359 1.00 0.00 H new ATOM 0 HA LEU A 66 3.184 -5.659 -1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.790 -6.612 -4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.723 -7.174 -2.987 1.00 0.00 H new ATOM 0 HG LEU A 66 0.755 -4.932 -4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.033 -6.579 -6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.745 -6.540 -6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.847 -7.871 -5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.401 -6.154 -4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.536 -7.444 -3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.624 -5.808 -2.835 1.00 0.00 H new ATOM 868 N ALA A 67 2.630 -3.077 -3.870 1.00 0.00 N ATOM 869 CA ALA A 67 3.326 -2.101 -4.649 1.00 0.00 C ATOM 870 C ALA A 67 2.847 -0.715 -4.390 1.00 0.00 C ATOM 871 O ALA A 67 1.714 -0.507 -3.960 1.00 0.00 O ATOM 872 CB ALA A 67 3.222 -2.428 -6.149 1.00 0.00 C ATOM 0 H ALA A 67 1.660 -2.846 -3.654 1.00 0.00 H new ATOM 0 HA ALA A 67 4.371 -2.143 -4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.758 -1.673 -6.724 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.660 -3.408 -6.339 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.174 -2.435 -6.448 1.00 0.00 H new ATOM 878 N VAL A 68 3.717 0.289 -4.603 1.00 0.00 N ATOM 879 CA VAL A 68 3.428 1.658 -4.309 1.00 0.00 C ATOM 880 C VAL A 68 3.860 2.571 -5.403 1.00 0.00 C ATOM 881 O VAL A 68 5.048 2.609 -5.721 1.00 0.00 O ATOM 882 CB VAL A 68 4.093 2.126 -3.048 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.512 3.489 -2.637 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.867 1.114 -1.913 1.00 0.00 C ATOM 0 H VAL A 68 4.649 0.144 -4.991 1.00 0.00 H new ATOM 0 HA VAL A 68 2.345 1.696 -4.193 1.00 0.00 H new ATOM 0 HB VAL A 68 5.164 2.219 -3.231 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.995 3.829 -1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.689 4.214 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.440 3.391 -2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.356 1.469 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.798 1.005 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.286 0.149 -2.197 1.00 0.00 H new ATOM 894 N ASN A 69 2.962 3.349 -6.031 1.00 0.00 N ATOM 895 CA ASN A 69 3.211 4.081 -7.234 1.00 0.00 C ATOM 896 C ASN A 69 3.700 3.246 -8.367 1.00 0.00 C ATOM 897 O ASN A 69 4.516 3.668 -9.184 1.00 0.00 O ATOM 898 CB ASN A 69 4.105 5.312 -7.014 1.00 0.00 C ATOM 899 CG ASN A 69 3.383 6.296 -6.104 1.00 0.00 C ATOM 900 OD1 ASN A 69 2.156 6.362 -6.097 1.00 0.00 O ATOM 901 ND2 ASN A 69 4.140 7.126 -5.336 1.00 0.00 N ATOM 0 H ASN A 69 2.012 3.474 -5.681 1.00 0.00 H new ATOM 0 HA ASN A 69 2.228 4.444 -7.533 1.00 0.00 H new ATOM 0 HB2 ASN A 69 5.053 5.013 -6.567 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.337 5.784 -7.969 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.690 7.820 -4.739 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.157 7.054 -5.357 1.00 0.00 H new ATOM 908 N GLY A 70 3.230 1.988 -8.453 1.00 0.00 N ATOM 909 CA GLY A 70 3.661 1.031 -9.423 1.00 0.00 C ATOM 910 C GLY A 70 4.992 0.432 -9.118 1.00 0.00 C ATOM 911 O GLY A 70 5.592 -0.236 -9.959 1.00 0.00 O ATOM 0 H GLY A 70 2.519 1.623 -7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.920 0.235 -9.490 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.703 1.511 -10.401 1.00 0.00 H new ATOM 915 N VAL A 71 5.504 0.657 -7.896 1.00 0.00 N ATOM 916 CA VAL A 71 6.795 0.212 -7.468 1.00 0.00 C ATOM 917 C VAL A 71 6.575 -0.937 -6.546 1.00 0.00 C ATOM 918 O VAL A 71 6.225 -0.789 -5.377 1.00 0.00 O ATOM 919 CB VAL A 71 7.658 1.237 -6.793 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.062 0.660 -6.552 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.760 2.485 -7.685 1.00 0.00 C ATOM 0 H VAL A 71 4.998 1.171 -7.175 1.00 0.00 H new ATOM 0 HA VAL A 71 7.350 -0.049 -8.369 1.00 0.00 H new ATOM 0 HB VAL A 71 7.214 1.508 -5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.684 1.409 -6.062 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.988 -0.223 -5.917 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.511 0.384 -7.506 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.387 3.231 -7.196 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.201 2.212 -8.644 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.765 2.898 -7.848 1.00 0.00 H new ATOM 931 N SER A 72 6.751 -2.158 -7.084 1.00 0.00 N ATOM 932 CA SER A 72 6.700 -3.403 -6.382 1.00 0.00 C ATOM 933 C SER A 72 7.726 -3.516 -5.306 1.00 0.00 C ATOM 934 O SER A 72 8.892 -3.162 -5.471 1.00 0.00 O ATOM 935 CB SER A 72 6.808 -4.598 -7.342 1.00 0.00 C ATOM 936 OG SER A 72 7.766 -4.368 -8.365 1.00 0.00 O ATOM 0 H SER A 72 6.942 -2.282 -8.078 1.00 0.00 H new ATOM 0 HA SER A 72 5.724 -3.424 -5.898 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.083 -5.491 -6.781 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.834 -4.791 -7.793 1.00 0.00 H new ATOM 0 HG SER A 72 8.461 -5.058 -8.323 1.00 0.00 H new ATOM 942 N LEU A 73 7.302 -4.008 -4.128 1.00 0.00 N ATOM 943 CA LEU A 73 8.149 -4.148 -2.984 1.00 0.00 C ATOM 944 C LEU A 73 9.183 -5.204 -3.167 1.00 0.00 C ATOM 945 O LEU A 73 10.361 -4.929 -2.942 1.00 0.00 O ATOM 946 CB LEU A 73 7.326 -4.361 -1.702 1.00 0.00 C ATOM 947 CG LEU A 73 6.492 -3.146 -1.262 1.00 0.00 C ATOM 948 CD1 LEU A 73 5.702 -3.420 0.027 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.330 -1.879 -1.024 1.00 0.00 C ATOM 0 H LEU A 73 6.343 -4.317 -3.967 1.00 0.00 H new ATOM 0 HA LEU A 73 8.691 -3.209 -2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.657 -5.208 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.004 -4.631 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 73 5.814 -2.975 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.129 -2.533 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.022 -4.257 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.394 -3.665 0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.676 -1.063 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.064 -2.070 -0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.844 -1.605 -1.945 1.00 0.00 H new ATOM 961 N GLU A 74 8.792 -6.412 -3.610 1.00 0.00 N ATOM 962 CA GLU A 74 9.603 -7.478 -4.110 1.00 0.00 C ATOM 963 C GLU A 74 10.831 -7.863 -3.359 1.00 0.00 C ATOM 964 O GLU A 74 11.787 -8.410 -3.907 1.00 0.00 O ATOM 965 CB GLU A 74 9.883 -7.308 -5.614 1.00 0.00 C ATOM 966 CG GLU A 74 10.842 -6.179 -5.993 1.00 0.00 C ATOM 967 CD GLU A 74 11.017 -6.049 -7.500 1.00 0.00 C ATOM 968 OE1 GLU A 74 10.146 -5.434 -8.171 1.00 0.00 O ATOM 969 OE2 GLU A 74 12.037 -6.542 -8.051 1.00 0.00 O ATOM 0 H GLU A 74 7.804 -6.665 -3.617 1.00 0.00 H new ATOM 0 HA GLU A 74 8.967 -8.345 -3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.287 -8.245 -5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.934 -7.139 -6.123 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.468 -5.238 -5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.813 -6.360 -5.531 1.00 0.00 H new ATOM 976 N GLY A 75 10.846 -7.641 -2.033 1.00 0.00 N ATOM 977 CA GLY A 75 12.002 -7.737 -1.198 1.00 0.00 C ATOM 978 C GLY A 75 12.223 -6.517 -0.372 1.00 0.00 C ATOM 979 O GLY A 75 13.356 -6.222 0.009 1.00 0.00 O ATOM 0 H GLY A 75 10.006 -7.381 -1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.899 -8.601 -0.541 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.880 -7.913 -1.820 1.00 0.00 H new ATOM 983 N ALA A 76 11.163 -5.766 -0.026 1.00 0.00 N ATOM 984 CA ALA A 76 11.265 -4.630 0.837 1.00 0.00 C ATOM 985 C ALA A 76 11.158 -5.042 2.265 1.00 0.00 C ATOM 986 O ALA A 76 10.461 -5.996 2.607 1.00 0.00 O ATOM 987 CB ALA A 76 10.217 -3.559 0.490 1.00 0.00 C ATOM 0 H ALA A 76 10.215 -5.951 -0.352 1.00 0.00 H new ATOM 0 HA ALA A 76 12.247 -4.184 0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.325 -2.711 1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.365 -3.225 -0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.217 -3.981 0.594 1.00 0.00 H new ATOM 993 N THR A 77 11.874 -4.354 3.172 1.00 0.00 N ATOM 994 CA THR A 77 11.916 -4.618 4.578 1.00 0.00 C ATOM 995 C THR A 77 10.923 -3.749 5.268 1.00 0.00 C ATOM 996 O THR A 77 10.112 -3.085 4.624 1.00 0.00 O ATOM 997 CB THR A 77 13.258 -4.351 5.194 1.00 0.00 C ATOM 998 OG1 THR A 77 13.704 -3.013 5.038 1.00 0.00 O ATOM 999 CG2 THR A 77 14.337 -5.214 4.517 1.00 0.00 C ATOM 0 H THR A 77 12.461 -3.563 2.906 1.00 0.00 H new ATOM 0 HA THR A 77 11.694 -5.678 4.700 1.00 0.00 H new ATOM 0 HB THR A 77 13.124 -4.576 6.252 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.581 -2.909 5.463 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.305 -5.010 4.974 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.091 -6.268 4.643 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.380 -4.976 3.454 1.00 0.00 H new ATOM 1007 N HIS A 78 10.963 -3.647 6.609 1.00 0.00 N ATOM 1008 CA HIS A 78 10.270 -2.627 7.333 1.00 0.00 C ATOM 1009 C HIS A 78 10.740 -1.261 6.968 1.00 0.00 C ATOM 1010 O HIS A 78 9.921 -0.400 6.653 1.00 0.00 O ATOM 1011 CB HIS A 78 10.372 -2.806 8.858 1.00 0.00 C ATOM 1012 CG HIS A 78 9.877 -1.661 9.693 1.00 0.00 C ATOM 1013 ND1 HIS A 78 10.342 -1.462 10.966 1.00 0.00 N ATOM 1014 CD2 HIS A 78 9.029 -0.632 9.429 1.00 0.00 C ATOM 1015 CE1 HIS A 78 9.829 -0.345 11.448 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.019 0.168 10.540 1.00 0.00 N ATOM 0 H HIS A 78 11.489 -4.288 7.203 1.00 0.00 H new ATOM 0 HA HIS A 78 9.224 -2.732 7.044 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.814 -3.700 9.136 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.416 -2.990 9.113 1.00 0.00 H new ATOM 0 HD1 HIS A 78 10.984 -2.080 11.463 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.470 -0.476 8.518 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.037 0.077 12.420 1.00 0.00 H new ATOM 1025 N LYS A 79 12.060 -1.003 6.975 1.00 0.00 N ATOM 1026 CA LYS A 79 12.618 0.244 6.552 1.00 0.00 C ATOM 1027 C LYS A 79 12.372 0.544 5.114 1.00 0.00 C ATOM 1028 O LYS A 79 11.884 1.623 4.779 1.00 0.00 O ATOM 1029 CB LYS A 79 14.132 0.311 6.821 1.00 0.00 C ATOM 1030 CG LYS A 79 14.477 0.486 8.301 1.00 0.00 C ATOM 1031 CD LYS A 79 15.986 0.639 8.500 1.00 0.00 C ATOM 1032 CE LYS A 79 16.378 1.019 9.929 1.00 0.00 C ATOM 1033 NZ LYS A 79 17.841 1.234 9.996 1.00 0.00 N ATOM 0 H LYS A 79 12.758 -1.680 7.283 1.00 0.00 H new ATOM 0 HA LYS A 79 12.103 0.998 7.147 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.600 -0.601 6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.558 1.140 6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.964 1.363 8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.118 -0.374 8.866 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.476 -0.298 8.234 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.359 1.400 7.815 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.852 1.924 10.234 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.083 0.230 10.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.110 1.493 10.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.333 0.360 9.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.109 2.001 9.347 1.00 0.00 H new ATOM 1047 N GLN A 80 12.649 -0.406 4.203 1.00 0.00 N ATOM 1048 CA GLN A 80 12.449 -0.229 2.798 1.00 0.00 C ATOM 1049 C GLN A 80 11.021 -0.008 2.429 1.00 0.00 C ATOM 1050 O GLN A 80 10.714 0.828 1.581 1.00 0.00 O ATOM 1051 CB GLN A 80 13.066 -1.420 2.047 1.00 0.00 C ATOM 1052 CG GLN A 80 13.857 -1.086 0.781 1.00 0.00 C ATOM 1053 CD GLN A 80 12.984 -0.739 -0.417 1.00 0.00 C ATOM 1054 OE1 GLN A 80 12.357 -1.605 -1.024 1.00 0.00 O ATOM 1055 NE2 GLN A 80 12.960 0.564 -0.805 1.00 0.00 N ATOM 0 H GLN A 80 13.022 -1.322 4.450 1.00 0.00 H new ATOM 0 HA GLN A 80 12.957 0.687 2.497 1.00 0.00 H new ATOM 0 HB2 GLN A 80 13.726 -1.952 2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.264 -2.108 1.778 1.00 0.00 H new ATOM 0 HG2 GLN A 80 14.521 -0.247 0.990 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.489 -1.936 0.524 1.00 0.00 H new ATOM 0 HE21 GLN A 80 13.490 1.262 -0.283 1.00 0.00 H new ATOM 0 HE22 GLN A 80 12.412 0.844 -1.618 1.00 0.00 H new ATOM 1064 N ALA A 81 10.062 -0.691 3.079 1.00 0.00 N ATOM 1065 CA ALA A 81 8.668 -0.427 2.898 1.00 0.00 C ATOM 1066 C ALA A 81 8.220 0.922 3.344 1.00 0.00 C ATOM 1067 O ALA A 81 7.443 1.576 2.650 1.00 0.00 O ATOM 1068 CB ALA A 81 7.821 -1.462 3.657 1.00 0.00 C ATOM 0 H ALA A 81 10.258 -1.440 3.743 1.00 0.00 H new ATOM 0 HA ALA A 81 8.524 -0.483 1.819 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.763 -1.246 3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.044 -2.461 3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.055 -1.414 4.721 1.00 0.00 H new ATOM 1074 N VAL A 82 8.716 1.408 4.496 1.00 0.00 N ATOM 1075 CA VAL A 82 8.476 2.738 4.964 1.00 0.00 C ATOM 1076 C VAL A 82 8.955 3.736 3.966 1.00 0.00 C ATOM 1077 O VAL A 82 8.140 4.527 3.497 1.00 0.00 O ATOM 1078 CB VAL A 82 9.039 3.055 6.318 1.00 0.00 C ATOM 1079 CG1 VAL A 82 8.966 4.553 6.656 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.230 2.286 7.376 1.00 0.00 C ATOM 0 H VAL A 82 9.303 0.857 5.122 1.00 0.00 H new ATOM 0 HA VAL A 82 7.394 2.799 5.082 1.00 0.00 H new ATOM 0 HB VAL A 82 10.089 2.764 6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.387 4.723 7.647 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.533 5.121 5.918 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.926 4.879 6.643 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.626 2.505 8.367 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.185 2.591 7.328 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.305 1.216 7.184 1.00 0.00 H new ATOM 1090 N GLU A 83 10.224 3.694 3.521 1.00 0.00 N ATOM 1091 CA GLU A 83 10.763 4.544 2.505 1.00 0.00 C ATOM 1092 C GLU A 83 9.944 4.621 1.264 1.00 0.00 C ATOM 1093 O GLU A 83 9.692 5.702 0.734 1.00 0.00 O ATOM 1094 CB GLU A 83 12.200 4.128 2.146 1.00 0.00 C ATOM 1095 CG GLU A 83 13.214 4.408 3.257 1.00 0.00 C ATOM 1096 CD GLU A 83 14.641 4.044 2.867 1.00 0.00 C ATOM 1097 OE1 GLU A 83 15.138 4.554 1.829 1.00 0.00 O ATOM 1098 OE2 GLU A 83 15.305 3.283 3.619 1.00 0.00 O ATOM 0 H GLU A 83 10.908 3.033 3.889 1.00 0.00 H new ATOM 0 HA GLU A 83 10.754 5.542 2.943 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.214 3.063 1.913 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.507 4.656 1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.174 5.465 3.520 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.932 3.847 4.148 1.00 0.00 H new ATOM 1105 N THR A 84 9.439 3.466 0.794 1.00 0.00 N ATOM 1106 CA THR A 84 8.654 3.281 -0.387 1.00 0.00 C ATOM 1107 C THR A 84 7.290 3.878 -0.333 1.00 0.00 C ATOM 1108 O THR A 84 6.743 4.273 -1.361 1.00 0.00 O ATOM 1109 CB THR A 84 8.642 1.826 -0.750 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.977 1.376 -0.924 1.00 0.00 O ATOM 1111 CG2 THR A 84 7.957 1.474 -2.082 1.00 0.00 C ATOM 0 H THR A 84 9.595 2.586 1.285 1.00 0.00 H new ATOM 0 HA THR A 84 9.136 3.847 -1.184 1.00 0.00 H new ATOM 0 HB THR A 84 8.091 1.361 0.067 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.284 0.937 -0.103 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.007 0.397 -2.243 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.914 1.788 -2.049 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.464 1.987 -2.899 1.00 0.00 H new ATOM 1119 N LEU A 85 6.673 4.025 0.853 1.00 0.00 N ATOM 1120 CA LEU A 85 5.467 4.763 1.065 1.00 0.00 C ATOM 1121 C LEU A 85 5.692 6.191 1.425 1.00 0.00 C ATOM 1122 O LEU A 85 4.981 7.091 0.983 1.00 0.00 O ATOM 1123 CB LEU A 85 4.682 4.133 2.229 1.00 0.00 C ATOM 1124 CG LEU A 85 4.167 2.712 1.946 1.00 0.00 C ATOM 1125 CD1 LEU A 85 3.915 1.950 3.257 1.00 0.00 C ATOM 1126 CD2 LEU A 85 2.884 2.716 1.099 1.00 0.00 C ATOM 0 H LEU A 85 7.035 3.606 1.710 1.00 0.00 H new ATOM 0 HA LEU A 85 4.927 4.726 0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.321 4.107 3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.834 4.774 2.469 1.00 0.00 H new ATOM 0 HG LEU A 85 4.946 2.206 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.551 0.948 3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.845 1.880 3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.170 2.481 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.559 1.690 0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.101 3.260 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.081 3.201 0.143 1.00 0.00 H new ATOM 1138 N ARG A 86 6.688 6.450 2.291 1.00 0.00 N ATOM 1139 CA ARG A 86 6.976 7.689 2.942 1.00 0.00 C ATOM 1140 C ARG A 86 7.669 8.686 2.079 1.00 0.00 C ATOM 1141 O ARG A 86 7.194 9.813 1.940 1.00 0.00 O ATOM 1142 CB ARG A 86 7.806 7.378 4.198 1.00 0.00 C ATOM 1143 CG ARG A 86 8.131 8.569 5.101 1.00 0.00 C ATOM 1144 CD ARG A 86 9.569 9.029 4.854 1.00 0.00 C ATOM 1145 NE ARG A 86 9.864 10.115 5.829 1.00 0.00 N ATOM 1146 CZ ARG A 86 10.032 9.869 7.161 1.00 0.00 C ATOM 1147 NH1 ARG A 86 10.374 8.632 7.629 1.00 0.00 N ATOM 1148 NH2 ARG A 86 9.841 10.877 8.061 1.00 0.00 N ATOM 0 H ARG A 86 7.351 5.723 2.558 1.00 0.00 H new ATOM 0 HA ARG A 86 6.028 8.161 3.199 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.269 6.636 4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.744 6.919 3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.439 9.387 4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.003 8.290 6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.264 8.199 4.982 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.686 9.389 3.832 1.00 0.00 H new ATOM 0 HE ARG A 86 9.943 11.074 5.491 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.511 7.860 6.977 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.492 8.480 8.631 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.575 11.807 7.737 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.965 10.701 9.058 1.00 0.00 H new ATOM 1162 N ASN A 87 8.806 8.336 1.451 1.00 0.00 N ATOM 1163 CA ASN A 87 9.682 9.252 0.790 1.00 0.00 C ATOM 1164 C ASN A 87 9.284 9.479 -0.628 1.00 0.00 C ATOM 1165 O ASN A 87 10.090 9.642 -1.541 1.00 0.00 O ATOM 1166 CB ASN A 87 11.129 8.747 0.920 1.00 0.00 C ATOM 1167 CG ASN A 87 12.163 9.831 0.648 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.904 11.031 0.726 1.00 0.00 O ATOM 1169 ND2 ASN A 87 13.405 9.391 0.316 1.00 0.00 N ATOM 0 H ASN A 87 9.129 7.370 1.402 1.00 0.00 H new ATOM 0 HA ASN A 87 9.609 10.227 1.273 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.281 8.351 1.924 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.284 7.922 0.225 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.149 10.062 0.124 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.593 8.390 0.258 1.00 0.00 H new ATOM 1176 N THR A 88 7.958 9.500 -0.852 1.00 0.00 N ATOM 1177 CA THR A 88 7.265 9.733 -2.080 1.00 0.00 C ATOM 1178 C THR A 88 6.924 11.179 -2.196 1.00 0.00 C ATOM 1179 O THR A 88 7.356 12.012 -1.401 1.00 0.00 O ATOM 1180 CB THR A 88 6.048 8.855 -2.115 1.00 0.00 C ATOM 1181 OG1 THR A 88 5.190 9.077 -1.006 1.00 0.00 O ATOM 1182 CG2 THR A 88 6.519 7.398 -1.978 1.00 0.00 C ATOM 0 H THR A 88 7.304 9.335 -0.087 1.00 0.00 H new ATOM 0 HA THR A 88 7.891 9.482 -2.936 1.00 0.00 H new ATOM 0 HB THR A 88 5.516 9.069 -3.042 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.223 8.302 -0.407 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.656 6.733 -2.000 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.187 7.152 -2.803 1.00 0.00 H new ATOM 0 HG23 THR A 88 7.049 7.274 -1.033 1.00 0.00 H new ATOM 1190 N GLY A 89 6.134 11.570 -3.213 1.00 0.00 N ATOM 1191 CA GLY A 89 5.648 12.906 -3.355 1.00 0.00 C ATOM 1192 C GLY A 89 4.470 13.182 -2.486 1.00 0.00 C ATOM 1193 O GLY A 89 4.606 13.597 -1.335 1.00 0.00 O ATOM 0 H GLY A 89 5.826 10.941 -3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.446 13.607 -3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.376 13.081 -4.396 1.00 0.00 H new ATOM 1197 N GLN A 90 3.258 12.943 -3.017 1.00 0.00 N ATOM 1198 CA GLN A 90 2.015 13.223 -2.369 1.00 0.00 C ATOM 1199 C GLN A 90 1.023 12.158 -2.687 1.00 0.00 C ATOM 1200 O GLN A 90 0.413 11.586 -1.785 1.00 0.00 O ATOM 1201 CB GLN A 90 1.470 14.607 -2.762 1.00 0.00 C ATOM 1202 CG GLN A 90 0.107 14.926 -2.143 1.00 0.00 C ATOM 1203 CD GLN A 90 -0.188 16.419 -2.178 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -0.292 17.053 -3.227 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -0.321 17.022 -0.966 1.00 0.00 N ATOM 0 H GLN A 90 3.139 12.534 -3.944 1.00 0.00 H new ATOM 0 HA GLN A 90 2.191 13.236 -1.293 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.186 15.370 -2.457 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.389 14.662 -3.848 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.673 14.388 -2.681 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.084 14.574 -1.112 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.230 16.474 -0.111 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.512 18.023 -0.912 1.00 0.00 H new ATOM 1214 N VAL A 91 0.826 11.801 -3.968 1.00 0.00 N ATOM 1215 CA VAL A 91 0.015 10.685 -4.346 1.00 0.00 C ATOM 1216 C VAL A 91 0.762 9.413 -4.134 1.00 0.00 C ATOM 1217 O VAL A 91 1.908 9.244 -4.547 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.483 10.720 -5.759 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.227 9.432 -6.151 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.420 11.934 -5.877 1.00 0.00 C ATOM 0 H VAL A 91 1.238 12.297 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.865 10.745 -3.705 1.00 0.00 H new ATOM 0 HB VAL A 91 0.364 10.800 -6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.567 9.508 -7.184 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.555 8.579 -6.052 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.087 9.294 -5.495 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.807 11.998 -6.894 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.250 11.822 -5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.868 12.844 -5.641 1.00 0.00 H new ATOM 1230 N VAL A 92 0.081 8.461 -3.472 1.00 0.00 N ATOM 1231 CA VAL A 92 0.507 7.101 -3.352 1.00 0.00 C ATOM 1232 C VAL A 92 -0.581 6.252 -3.915 1.00 0.00 C ATOM 1233 O VAL A 92 -1.685 6.158 -3.379 1.00 0.00 O ATOM 1234 CB VAL A 92 0.883 6.768 -1.938 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.686 5.276 -1.618 1.00 0.00 C ATOM 1236 CG2 VAL A 92 2.340 7.200 -1.706 1.00 0.00 C ATOM 0 H VAL A 92 -0.804 8.647 -3.000 1.00 0.00 H new ATOM 0 HA VAL A 92 1.420 6.914 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 92 0.223 7.310 -1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.972 5.085 -0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.361 5.008 -1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.308 4.676 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.630 6.965 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.992 6.668 -2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.432 8.273 -1.872 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.312 5.586 -5.052 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.088 4.491 -5.549 1.00 0.00 C ATOM 1248 C HIS A 93 -0.761 3.272 -4.757 1.00 0.00 C ATOM 1249 O HIS A 93 0.363 2.776 -4.827 1.00 0.00 O ATOM 1250 CB HIS A 93 -0.838 4.150 -7.027 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.222 5.227 -7.998 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -0.277 6.091 -8.512 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -2.446 5.481 -8.533 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -0.943 6.863 -9.351 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -2.263 6.539 -9.400 1.00 0.00 N ATOM 0 H HIS A 93 0.480 5.820 -5.651 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.129 4.801 -5.456 1.00 0.00 H new ATOM 0 HB2 HIS A 93 0.220 3.923 -7.158 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.391 3.244 -7.274 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.370 4.962 -8.323 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.493 7.657 -9.929 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -2.980 6.991 -9.968 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.707 2.734 -3.967 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.519 1.564 -3.167 1.00 0.00 C ATOM 1265 C LEU A 94 -2.005 0.379 -3.929 1.00 0.00 C ATOM 1266 O LEU A 94 -3.202 0.217 -4.160 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.309 1.645 -1.852 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.687 2.419 -0.677 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.260 1.897 0.652 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.165 2.228 -0.577 1.00 0.00 C ATOM 0 H LEU A 94 -2.643 3.131 -3.882 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.458 1.481 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.277 2.095 -2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.501 0.626 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.919 3.469 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.816 2.448 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.341 2.035 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.029 0.837 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.218 2.797 0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.061 1.171 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.307 2.580 -1.494 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.088 -0.524 -4.322 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.457 -1.794 -4.865 1.00 0.00 C ATOM 1284 C LEU A 95 -1.580 -2.753 -3.731 1.00 0.00 C ATOM 1285 O LEU A 95 -0.586 -3.206 -3.164 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.418 -2.269 -5.895 1.00 0.00 C ATOM 1287 CG LEU A 95 -1.029 -2.983 -7.111 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.116 -3.501 -7.999 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -1.984 -4.127 -6.727 1.00 0.00 C ATOM 0 H LEU A 95 -0.081 -0.371 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.409 -1.722 -5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.156 -1.409 -6.241 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.284 -2.944 -5.404 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.640 -2.262 -7.654 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.300 -4.011 -8.868 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.728 -2.662 -8.329 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.732 -4.197 -7.430 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.381 -4.589 -7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.443 -4.873 -6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.806 -3.730 -6.132 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.841 -3.031 -3.355 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.252 -3.870 -2.273 1.00 0.00 C ATOM 1303 C LEU A 96 -3.699 -5.205 -2.761 1.00 0.00 C ATOM 1304 O LEU A 96 -4.218 -5.328 -3.869 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.446 -3.232 -1.542 1.00 0.00 C ATOM 1306 CG LEU A 96 -4.066 -2.022 -0.673 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.834 -0.752 -1.076 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -4.339 -2.365 0.801 1.00 0.00 C ATOM 0 H LEU A 96 -3.639 -2.634 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.394 -3.985 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.187 -2.920 -2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.920 -3.985 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.007 -1.811 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.532 0.075 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.611 -0.506 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.905 -0.924 -0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.073 -1.514 1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.396 -2.595 0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.741 -3.229 1.090 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.535 -6.250 -1.929 1.00 0.00 N ATOM 1321 CA GLU A 97 -4.096 -7.548 -2.146 1.00 0.00 C ATOM 1322 C GLU A 97 -4.850 -7.957 -0.928 1.00 0.00 C ATOM 1323 O GLU A 97 -4.407 -7.775 0.205 1.00 0.00 O ATOM 1324 CB GLU A 97 -3.013 -8.590 -2.477 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.480 -10.013 -2.789 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.318 -10.962 -3.043 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -1.146 -10.524 -3.195 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.564 -12.197 -3.069 1.00 0.00 O ATOM 0 H GLU A 97 -2.989 -6.188 -1.070 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.767 -7.498 -3.004 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.445 -8.226 -3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.323 -8.639 -1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.076 -10.387 -1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.129 -9.996 -3.664 1.00 0.00 H new ATOM 1335 N LYS A 98 -6.049 -8.524 -1.148 1.00 0.00 N ATOM 1336 CA LYS A 98 -7.013 -8.917 -0.168 1.00 0.00 C ATOM 1337 C LYS A 98 -6.535 -9.960 0.784 1.00 0.00 C ATOM 1338 O LYS A 98 -6.032 -11.010 0.389 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.252 -9.436 -0.918 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.428 -9.960 -0.091 1.00 0.00 C ATOM 1341 CD LYS A 98 -10.117 -8.908 0.780 1.00 0.00 C ATOM 1342 CE LYS A 98 -11.000 -7.920 0.015 1.00 0.00 C ATOM 1343 NZ LYS A 98 -11.513 -6.902 0.957 1.00 0.00 N ATOM 0 H LYS A 98 -6.370 -8.724 -2.095 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.231 -8.042 0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.622 -8.628 -1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.928 -10.237 -1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.166 -10.392 -0.767 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.073 -10.767 0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.728 -9.417 1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.354 -8.348 1.321 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.428 -7.442 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.829 -8.445 -0.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.115 -6.226 0.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.071 -7.367 1.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.714 -6.395 1.390 1.00 0.00 H new ATOM 1434 N LEU B 206 9.257 -2.222 14.929 1.00 0.00 N ATOM 1435 CA LEU B 206 8.216 -2.402 13.966 1.00 0.00 C ATOM 1436 C LEU B 206 7.097 -1.435 14.146 1.00 0.00 C ATOM 1437 O LEU B 206 6.919 -0.847 15.211 1.00 0.00 O ATOM 1438 CB LEU B 206 7.701 -3.844 13.818 1.00 0.00 C ATOM 1439 CG LEU B 206 6.934 -4.217 12.538 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.749 -3.911 11.270 1.00 0.00 C ATOM 1441 CD2 LEU B 206 6.671 -5.731 12.597 1.00 0.00 C ATOM 0 HA LEU B 206 8.703 -2.181 13.016 1.00 0.00 H new ATOM 0 HB2 LEU B 206 8.558 -4.513 13.899 1.00 0.00 H new ATOM 0 HB3 LEU B 206 7.051 -4.054 14.668 1.00 0.00 H new ATOM 0 HG LEU B 206 6.014 -3.634 12.488 1.00 0.00 H new ATOM 0 HD11 LEU B 206 7.170 -4.190 10.389 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.977 -2.846 11.232 1.00 0.00 H new ATOM 0 HD13 LEU B 206 8.678 -4.481 11.288 1.00 0.00 H new ATOM 0 HD21 LEU B 206 6.127 -6.041 11.705 1.00 0.00 H new ATOM 0 HD22 LEU B 206 7.621 -6.264 12.646 1.00 0.00 H new ATOM 0 HD23 LEU B 206 6.079 -5.963 13.482 1.00 0.00 H new ATOM 1453 N VAL B 207 6.295 -1.241 13.084 1.00 0.00 N ATOM 1454 CA VAL B 207 5.075 -0.498 13.112 1.00 0.00 C ATOM 1455 C VAL B 207 5.283 0.978 13.106 1.00 0.00 C ATOM 1456 O VAL B 207 5.666 1.633 14.074 1.00 0.00 O ATOM 1457 CB VAL B 207 4.044 -1.078 14.034 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.172 -0.040 14.759 1.00 0.00 C ATOM 1459 CG2 VAL B 207 3.237 -2.123 13.245 1.00 0.00 C ATOM 0 H VAL B 207 6.508 -1.621 12.162 1.00 0.00 H new ATOM 0 HA VAL B 207 4.578 -0.634 12.152 1.00 0.00 H new ATOM 0 HB VAL B 207 4.556 -1.563 14.865 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.457 -0.552 15.403 1.00 0.00 H new ATOM 0 HG12 VAL B 207 3.806 0.608 15.364 1.00 0.00 H new ATOM 0 HG13 VAL B 207 2.635 0.560 14.025 1.00 0.00 H new ATOM 0 HG21 VAL B 207 2.478 -2.562 13.893 1.00 0.00 H new ATOM 0 HG22 VAL B 207 2.754 -1.643 12.394 1.00 0.00 H new ATOM 0 HG23 VAL B 207 3.906 -2.906 12.888 1.00 0.00 H new ATOM 1469 N THR B 208 5.071 1.556 11.910 1.00 0.00 N ATOM 1470 CA THR B 208 5.372 2.921 11.608 1.00 0.00 C ATOM 1471 C THR B 208 4.179 3.379 10.840 1.00 0.00 C ATOM 1472 O THR B 208 3.875 2.790 9.803 1.00 0.00 O ATOM 1473 CB THR B 208 6.574 3.089 10.727 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.725 2.503 11.315 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.898 4.570 10.469 1.00 0.00 C ATOM 0 H THR B 208 4.672 1.050 11.119 1.00 0.00 H new ATOM 0 HA THR B 208 5.587 3.471 12.524 1.00 0.00 H new ATOM 0 HB THR B 208 6.326 2.595 9.787 1.00 0.00 H new ATOM 0 HG1 THR B 208 7.956 1.682 10.833 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.775 4.644 9.827 1.00 0.00 H new ATOM 0 HG22 THR B 208 6.049 5.048 9.980 1.00 0.00 H new ATOM 0 HG23 THR B 208 7.099 5.069 11.417 1.00 0.00 H new ATOM 1483 N SER B 209 3.471 4.401 11.350 1.00 0.00 N ATOM 1484 CA SER B 209 2.371 5.043 10.698 1.00 0.00 C ATOM 1485 C SER B 209 2.889 5.924 9.613 1.00 0.00 C ATOM 1486 O SER B 209 3.830 6.690 9.808 1.00 0.00 O ATOM 1487 CB SER B 209 1.443 5.802 11.663 1.00 0.00 C ATOM 1488 OG SER B 209 2.149 6.713 12.492 1.00 0.00 O ATOM 0 H SER B 209 3.676 4.801 12.266 1.00 0.00 H new ATOM 0 HA SER B 209 1.743 4.265 10.264 1.00 0.00 H new ATOM 0 HB2 SER B 209 0.693 6.345 11.089 1.00 0.00 H new ATOM 0 HB3 SER B 209 0.909 5.086 12.288 1.00 0.00 H new ATOM 0 HG SER B 209 1.518 7.172 13.085 1.00 0.00 H new ATOM 1494 N VAL B 210 2.341 5.789 8.392 1.00 0.00 N ATOM 1495 CA VAL B 210 2.959 6.274 7.196 1.00 0.00 C ATOM 1496 C VAL B 210 1.807 6.416 6.212 1.00 0.00 C ATOM 1497 O VAL B 210 0.696 5.875 6.458 1.00 0.00 O ATOM 1498 CB VAL B 210 4.046 5.365 6.704 1.00 0.00 C ATOM 1499 CG1 VAL B 210 3.522 3.954 6.387 1.00 0.00 C ATOM 1500 CG2 VAL B 210 4.751 5.971 5.479 1.00 0.00 C ATOM 1501 OXT VAL B 210 1.982 7.186 5.229 1.00 0.00 O ATOM 0 H VAL B 210 1.444 5.330 8.232 1.00 0.00 H new ATOM 0 HA VAL B 210 3.475 7.221 7.350 1.00 0.00 H new ATOM 0 HB VAL B 210 4.772 5.266 7.511 1.00 0.00 H new ATOM 0 HG11 VAL B 210 4.344 3.331 6.034 1.00 0.00 H new ATOM 0 HG12 VAL B 210 3.094 3.514 7.288 1.00 0.00 H new ATOM 0 HG13 VAL B 210 2.756 4.016 5.614 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.535 5.295 5.139 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.027 6.118 4.678 1.00 0.00 H new ATOM 0 HG23 VAL B 210 5.191 6.930 5.750 1.00 0.00 H new