USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 719 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 86 GLN : amide:sc= -0.374 K(o=-0.37,f=-2.7) USER MOD Set 1.2: A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 32 ASN : amide:sc= -2.29 X(o=-5,f=-4.8) USER MOD Set 2.2: A 41 GLN : amide:sc= -2.72 K(o=-5,f=-3.5!) USER MOD Set 2.3: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 2 SER OG : rot -5:sc= 1.82 USER MOD Set 3.2: A 5 THR OG1 : rot 140:sc= 1.29 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -1.27 K(o=-1.3,f=-6!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.272 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= -0.707 (180deg=-0.941) USER MOD Single : A 53 GLN : amide:sc= -2.73 K(o=-2.7,f=-4.5) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 143:sc= -2.66 (180deg=-5.61!) USER MOD Single : A 74 SER OG : rot -81:sc= -0.169 USER MOD Single : A 76 LYS NZ :NH3+ -178:sc= 0.144 (180deg=0.143) USER MOD Single : A 77 THR OG1 : rot 73:sc= 0.263 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 63:sc= 1.2 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 1.515 2.006 -0.224 1.00 0.00 N ATOM 19 CA SER A 2 2.312 3.186 -0.537 1.00 0.00 C ATOM 20 C SER A 2 1.790 4.408 0.211 1.00 0.00 C ATOM 21 O SER A 2 0.691 4.893 -0.058 1.00 0.00 O ATOM 22 CB SER A 2 2.298 3.452 -2.044 1.00 0.00 C ATOM 23 OG SER A 2 1.224 2.773 -2.671 1.00 0.00 O ATOM 0 HA SER A 2 3.337 2.997 -0.218 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.212 4.523 -2.227 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.242 3.129 -2.482 1.00 0.00 H new ATOM 0 HG SER A 2 0.766 2.208 -2.014 1.00 0.00 H new ATOM 29 N VAL A 3 2.587 4.903 1.153 1.00 0.00 N ATOM 30 CA VAL A 3 2.207 6.070 1.941 1.00 0.00 C ATOM 31 C VAL A 3 1.752 7.215 1.043 1.00 0.00 C ATOM 32 O VAL A 3 0.825 7.949 1.380 1.00 0.00 O ATOM 33 CB VAL A 3 3.373 6.555 2.823 1.00 0.00 C ATOM 34 CG1 VAL A 3 3.002 7.847 3.535 1.00 0.00 C ATOM 35 CG2 VAL A 3 3.769 5.479 3.823 1.00 0.00 C ATOM 0 H VAL A 3 3.500 4.514 1.389 1.00 0.00 H new ATOM 0 HA VAL A 3 1.380 5.764 2.581 1.00 0.00 H new ATOM 0 HB VAL A 3 4.232 6.755 2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.838 8.175 4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.773 8.616 2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.129 7.677 4.165 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.594 5.839 4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.917 5.244 4.461 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.080 4.582 3.288 1.00 0.00 H new ATOM 45 N GLU A 4 2.412 7.360 -0.102 1.00 0.00 N ATOM 46 CA GLU A 4 2.075 8.416 -1.049 1.00 0.00 C ATOM 47 C GLU A 4 0.626 8.291 -1.510 1.00 0.00 C ATOM 48 O GLU A 4 -0.105 9.280 -1.576 1.00 0.00 O ATOM 49 CB GLU A 4 3.012 8.367 -2.257 1.00 0.00 C ATOM 50 CG GLU A 4 4.157 9.364 -2.180 1.00 0.00 C ATOM 51 CD GLU A 4 4.908 9.289 -0.865 1.00 0.00 C ATOM 52 OE1 GLU A 4 5.340 10.351 -0.368 1.00 0.00 O ATOM 53 OE2 GLU A 4 5.064 8.171 -0.333 1.00 0.00 O ATOM 0 H GLU A 4 3.183 6.760 -0.396 1.00 0.00 H new ATOM 0 HA GLU A 4 2.196 9.374 -0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.422 7.361 -2.347 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.435 8.558 -3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.850 9.180 -3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.765 10.372 -2.314 1.00 0.00 H new ATOM 60 N THR A 5 0.216 7.067 -1.829 1.00 0.00 N ATOM 61 CA THR A 5 -1.144 6.811 -2.286 1.00 0.00 C ATOM 62 C THR A 5 -2.161 7.151 -1.203 1.00 0.00 C ATOM 63 O THR A 5 -3.354 7.281 -1.478 1.00 0.00 O ATOM 64 CB THR A 5 -1.329 5.341 -2.705 1.00 0.00 C ATOM 65 OG1 THR A 5 -0.154 4.871 -3.376 1.00 0.00 O ATOM 66 CG2 THR A 5 -2.536 5.185 -3.618 1.00 0.00 C ATOM 0 H THR A 5 0.807 6.237 -1.779 1.00 0.00 H new ATOM 0 HA THR A 5 -1.312 7.451 -3.152 1.00 0.00 H new ATOM 0 HB THR A 5 -1.495 4.749 -1.805 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.036 3.951 -3.097 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.646 4.138 -3.900 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.433 5.516 -3.095 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.395 5.790 -4.514 1.00 0.00 H new ATOM 74 N ILE A 6 -1.682 7.294 0.028 1.00 0.00 N ATOM 75 CA ILE A 6 -2.550 7.620 1.152 1.00 0.00 C ATOM 76 C ILE A 6 -2.800 9.122 1.236 1.00 0.00 C ATOM 77 O ILE A 6 -3.947 9.571 1.243 1.00 0.00 O ATOM 78 CB ILE A 6 -1.951 7.136 2.486 1.00 0.00 C ATOM 79 CG1 ILE A 6 -1.194 5.822 2.283 1.00 0.00 C ATOM 80 CG2 ILE A 6 -3.046 6.968 3.529 1.00 0.00 C ATOM 81 CD1 ILE A 6 -2.033 4.734 1.649 1.00 0.00 C ATOM 0 H ILE A 6 -0.697 7.189 0.272 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.495 7.105 0.980 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.247 7.887 2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.321 6.008 1.657 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.826 5.471 3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.607 6.626 4.466 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.545 7.924 3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.772 6.234 3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.433 3.831 1.535 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.892 4.520 2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.379 5.065 0.670 1.00 0.00 H new ATOM 93 N ILE A 7 -1.720 9.894 1.296 1.00 0.00 N ATOM 94 CA ILE A 7 -1.823 11.345 1.376 1.00 0.00 C ATOM 95 C ILE A 7 -2.398 11.928 0.089 1.00 0.00 C ATOM 96 O ILE A 7 -3.226 12.836 0.124 1.00 0.00 O ATOM 97 CB ILE A 7 -0.453 11.992 1.652 1.00 0.00 C ATOM 98 CG1 ILE A 7 0.058 11.587 3.036 1.00 0.00 C ATOM 99 CG2 ILE A 7 -0.549 13.506 1.540 1.00 0.00 C ATOM 100 CD1 ILE A 7 -0.856 12.007 4.165 1.00 0.00 C ATOM 0 H ILE A 7 -0.764 9.538 1.291 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.495 11.568 2.205 1.00 0.00 H new ATOM 0 HB ILE A 7 0.256 11.636 0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.184 10.505 3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.043 12.027 3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.427 13.948 1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.873 13.777 0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.270 13.880 2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.430 11.687 5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.963 13.092 4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.835 11.546 4.032 1.00 0.00 H new ATOM 112 N GLU A 8 -1.953 11.396 -1.045 1.00 0.00 N ATOM 113 CA GLU A 8 -2.425 11.863 -2.343 1.00 0.00 C ATOM 114 C GLU A 8 -3.948 11.947 -2.370 1.00 0.00 C ATOM 115 O GLU A 8 -4.518 12.883 -2.931 1.00 0.00 O ATOM 116 CB GLU A 8 -1.935 10.931 -3.454 1.00 0.00 C ATOM 117 CG GLU A 8 -0.665 11.412 -4.136 1.00 0.00 C ATOM 118 CD GLU A 8 -0.909 11.878 -5.559 1.00 0.00 C ATOM 119 OE1 GLU A 8 -2.008 12.405 -5.830 1.00 0.00 O ATOM 120 OE2 GLU A 8 -0.001 11.715 -6.401 1.00 0.00 O ATOM 0 H GLU A 8 -1.267 10.642 -1.091 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.020 12.861 -2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.759 9.940 -3.035 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.721 10.826 -4.202 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.234 12.230 -3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.068 10.605 -4.142 1.00 0.00 H new ATOM 127 N ARG A 9 -4.600 10.962 -1.762 1.00 0.00 N ATOM 128 CA ARG A 9 -6.057 10.924 -1.717 1.00 0.00 C ATOM 129 C ARG A 9 -6.598 11.952 -0.728 1.00 0.00 C ATOM 130 O ARG A 9 -7.677 12.511 -0.927 1.00 0.00 O ATOM 131 CB ARG A 9 -6.540 9.525 -1.331 1.00 0.00 C ATOM 132 CG ARG A 9 -7.499 8.911 -2.338 1.00 0.00 C ATOM 133 CD ARG A 9 -7.053 7.518 -2.755 1.00 0.00 C ATOM 134 NE ARG A 9 -6.457 7.510 -4.088 1.00 0.00 N ATOM 135 CZ ARG A 9 -7.162 7.618 -5.209 1.00 0.00 C ATOM 136 NH1 ARG A 9 -8.481 7.742 -5.157 1.00 0.00 N ATOM 137 NH2 ARG A 9 -6.547 7.603 -6.384 1.00 0.00 N ATOM 0 H ARG A 9 -4.143 10.180 -1.294 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.433 11.169 -2.710 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.676 8.870 -1.219 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.030 9.575 -0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.498 8.860 -1.906 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.564 9.552 -3.217 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.331 7.137 -2.033 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.908 6.843 -2.736 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.444 7.416 -4.163 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.957 7.755 -4.255 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.020 7.825 -6.019 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.532 7.508 -6.427 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.089 7.686 -7.244 1.00 0.00 H new ATOM 151 N ILE A 10 -5.843 12.194 0.338 1.00 0.00 N ATOM 152 CA ILE A 10 -6.246 13.155 1.357 1.00 0.00 C ATOM 153 C ILE A 10 -6.171 14.583 0.828 1.00 0.00 C ATOM 154 O ILE A 10 -7.155 15.322 0.861 1.00 0.00 O ATOM 155 CB ILE A 10 -5.369 13.040 2.618 1.00 0.00 C ATOM 156 CG1 ILE A 10 -5.656 11.725 3.347 1.00 0.00 C ATOM 157 CG2 ILE A 10 -5.609 14.226 3.540 1.00 0.00 C ATOM 158 CD1 ILE A 10 -4.653 11.405 4.433 1.00 0.00 C ATOM 0 H ILE A 10 -4.949 11.738 0.519 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.278 12.921 1.619 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.322 13.046 2.316 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.652 11.773 3.786 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.666 10.911 2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.982 14.130 4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.360 15.149 3.017 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.657 14.249 3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.919 10.460 4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.657 11.325 3.997 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.659 12.199 5.179 1.00 0.00 H new ATOM 170 N LYS A 11 -4.997 14.964 0.337 1.00 0.00 N ATOM 171 CA LYS A 11 -4.792 16.303 -0.204 1.00 0.00 C ATOM 172 C LYS A 11 -5.699 16.550 -1.405 1.00 0.00 C ATOM 173 O LYS A 11 -6.344 17.593 -1.503 1.00 0.00 O ATOM 174 CB LYS A 11 -3.328 16.493 -0.609 1.00 0.00 C ATOM 175 CG LYS A 11 -2.340 15.974 0.421 1.00 0.00 C ATOM 176 CD LYS A 11 -0.911 16.346 0.059 1.00 0.00 C ATOM 177 CE LYS A 11 -0.739 17.853 -0.053 1.00 0.00 C ATOM 178 NZ LYS A 11 -0.462 18.277 -1.453 1.00 0.00 N ATOM 0 H LYS A 11 -4.172 14.365 0.302 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.044 17.024 0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.153 15.984 -1.557 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.141 17.554 -0.777 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.586 16.382 1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.427 14.890 0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.230 15.956 0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.640 15.876 -0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.641 18.349 0.305 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.079 18.174 0.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.351 19.311 -1.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.413 17.824 -1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.254 17.993 -2.065 1.00 0.00 H new ATOM 192 N ALA A 12 -5.744 15.582 -2.315 1.00 0.00 N ATOM 193 CA ALA A 12 -6.575 15.694 -3.507 1.00 0.00 C ATOM 194 C ALA A 12 -8.013 16.048 -3.143 1.00 0.00 C ATOM 195 O ALA A 12 -8.649 16.864 -3.811 1.00 0.00 O ATOM 196 CB ALA A 12 -6.534 14.397 -4.302 1.00 0.00 C ATOM 0 H ALA A 12 -5.215 14.712 -2.249 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.176 16.499 -4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.159 14.494 -5.190 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.508 14.187 -4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.906 13.580 -3.684 1.00 0.00 H new ATOM 202 N ARG A 13 -8.519 15.430 -2.081 1.00 0.00 N ATOM 203 CA ARG A 13 -9.883 15.680 -1.630 1.00 0.00 C ATOM 204 C ARG A 13 -9.957 16.962 -0.806 1.00 0.00 C ATOM 205 O ARG A 13 -10.972 17.659 -0.812 1.00 0.00 O ATOM 206 CB ARG A 13 -10.393 14.499 -0.803 1.00 0.00 C ATOM 207 CG ARG A 13 -10.774 13.288 -1.639 1.00 0.00 C ATOM 208 CD ARG A 13 -12.279 13.201 -1.839 1.00 0.00 C ATOM 209 NE ARG A 13 -12.771 11.833 -1.697 1.00 0.00 N ATOM 210 CZ ARG A 13 -12.688 10.919 -2.657 1.00 0.00 C ATOM 211 NH1 ARG A 13 -12.134 11.225 -3.822 1.00 0.00 N ATOM 212 NH2 ARG A 13 -13.158 9.695 -2.452 1.00 0.00 N ATOM 0 H ARG A 13 -8.005 14.753 -1.517 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.515 15.798 -2.511 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.624 14.208 -0.088 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.261 14.819 -0.226 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.280 13.344 -2.609 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.418 12.381 -1.151 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.779 13.843 -1.114 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.536 13.578 -2.829 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.202 11.565 -0.812 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.770 12.164 -3.983 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.072 10.521 -4.558 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.584 9.455 -1.556 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.094 8.994 -3.190 1.00 0.00 H new ATOM 226 N VAL A 14 -8.875 17.267 -0.097 1.00 0.00 N ATOM 227 CA VAL A 14 -8.816 18.465 0.732 1.00 0.00 C ATOM 228 C VAL A 14 -8.939 19.726 -0.115 1.00 0.00 C ATOM 229 O VAL A 14 -9.577 20.698 0.287 1.00 0.00 O ATOM 230 CB VAL A 14 -7.505 18.526 1.538 1.00 0.00 C ATOM 231 CG1 VAL A 14 -7.318 19.907 2.148 1.00 0.00 C ATOM 232 CG2 VAL A 14 -7.491 17.452 2.615 1.00 0.00 C ATOM 0 H VAL A 14 -8.027 16.701 -0.080 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.657 18.413 1.424 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.673 18.338 0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.387 19.932 2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.280 20.653 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.153 20.127 2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.557 17.510 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.331 17.606 3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.575 16.470 2.150 1.00 0.00 H new ATOM 242 N GLY A 15 -8.322 19.703 -1.293 1.00 0.00 N ATOM 243 CA GLY A 15 -8.374 20.851 -2.180 1.00 0.00 C ATOM 244 C GLY A 15 -9.714 20.985 -2.876 1.00 0.00 C ATOM 245 O GLY A 15 -9.961 21.966 -3.578 1.00 0.00 O ATOM 0 H GLY A 15 -7.787 18.910 -1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.172 21.757 -1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.586 20.764 -2.928 1.00 0.00 H new ATOM 249 N ALA A 16 -10.581 19.996 -2.684 1.00 0.00 N ATOM 250 CA ALA A 16 -11.902 20.008 -3.299 1.00 0.00 C ATOM 251 C ALA A 16 -13.000 19.981 -2.241 1.00 0.00 C ATOM 252 O ALA A 16 -14.144 20.347 -2.509 1.00 0.00 O ATOM 253 CB ALA A 16 -12.053 18.830 -4.249 1.00 0.00 C ATOM 0 H ALA A 16 -10.392 19.176 -2.107 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.003 20.933 -3.867 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.045 18.852 -4.701 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.296 18.894 -5.031 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.926 17.899 -3.697 1.00 0.00 H new ATOM 398 N LEU A 26 -13.035 22.176 13.534 1.00 0.00 N ATOM 399 CA LEU A 26 -11.913 22.873 12.916 1.00 0.00 C ATOM 400 C LEU A 26 -10.678 22.817 13.809 1.00 0.00 C ATOM 401 O LEU A 26 -10.657 23.396 14.894 1.00 0.00 O ATOM 402 CB LEU A 26 -12.285 24.329 12.631 1.00 0.00 C ATOM 403 CG LEU A 26 -12.789 25.138 13.827 1.00 0.00 C ATOM 404 CD1 LEU A 26 -12.129 26.508 13.860 1.00 0.00 C ATOM 405 CD2 LEU A 26 -14.304 25.275 13.778 1.00 0.00 C ATOM 0 HA LEU A 26 -11.681 22.373 11.975 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.411 24.833 12.219 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.054 24.342 11.858 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.522 24.606 14.740 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.499 27.070 14.717 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.049 26.389 13.943 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.365 27.048 12.943 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -14.645 25.853 14.637 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.594 25.785 12.859 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -14.760 24.285 13.803 1.00 0.00 H new ATOM 417 N GLY A 27 -9.648 22.116 13.344 1.00 0.00 N ATOM 418 CA GLY A 27 -8.423 21.999 14.113 1.00 0.00 C ATOM 419 C GLY A 27 -7.310 21.329 13.331 1.00 0.00 C ATOM 420 O GLY A 27 -7.131 21.592 12.142 1.00 0.00 O ATOM 0 H GLY A 27 -9.640 21.627 12.449 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.097 22.991 14.425 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.620 21.428 15.020 1.00 0.00 H new ATOM 424 N VAL A 28 -6.558 20.461 14.001 1.00 0.00 N ATOM 425 CA VAL A 28 -5.456 19.752 13.362 1.00 0.00 C ATOM 426 C VAL A 28 -5.303 18.346 13.933 1.00 0.00 C ATOM 427 O VAL A 28 -5.583 18.108 15.107 1.00 0.00 O ATOM 428 CB VAL A 28 -4.127 20.511 13.531 1.00 0.00 C ATOM 429 CG1 VAL A 28 -3.090 20.000 12.542 1.00 0.00 C ATOM 430 CG2 VAL A 28 -4.343 22.007 13.364 1.00 0.00 C ATOM 0 H VAL A 28 -6.692 20.232 14.986 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.695 19.686 12.301 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.752 20.331 14.539 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.158 20.548 12.677 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.915 18.938 12.715 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.454 20.147 11.525 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.393 22.528 13.487 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.741 22.208 12.370 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.049 22.359 14.116 1.00 0.00 H new ATOM 440 N PHE A 29 -4.855 17.419 13.093 1.00 0.00 N ATOM 441 CA PHE A 29 -4.664 16.035 13.514 1.00 0.00 C ATOM 442 C PHE A 29 -3.267 15.543 13.147 1.00 0.00 C ATOM 443 O PHE A 29 -2.661 16.022 12.189 1.00 0.00 O ATOM 444 CB PHE A 29 -5.720 15.134 12.870 1.00 0.00 C ATOM 445 CG PHE A 29 -6.913 14.887 13.748 1.00 0.00 C ATOM 446 CD1 PHE A 29 -7.632 15.947 14.277 1.00 0.00 C ATOM 447 CD2 PHE A 29 -7.316 13.595 14.046 1.00 0.00 C ATOM 448 CE1 PHE A 29 -8.731 15.724 15.085 1.00 0.00 C ATOM 449 CE2 PHE A 29 -8.414 13.365 14.853 1.00 0.00 C ATOM 450 CZ PHE A 29 -9.122 14.431 15.374 1.00 0.00 C ATOM 0 H PHE A 29 -4.618 17.600 12.118 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.772 15.992 14.598 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.053 15.588 11.937 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.263 14.178 12.614 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.330 16.960 14.055 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.765 12.758 13.643 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.283 16.559 15.490 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.718 12.353 15.076 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.980 14.254 16.006 1.00 0.00 H new ATOM 460 N GLN A 30 -2.763 14.584 13.916 1.00 0.00 N ATOM 461 CA GLN A 30 -1.438 14.027 13.673 1.00 0.00 C ATOM 462 C GLN A 30 -1.517 12.528 13.404 1.00 0.00 C ATOM 463 O GLN A 30 -1.700 11.730 14.324 1.00 0.00 O ATOM 464 CB GLN A 30 -0.522 14.295 14.869 1.00 0.00 C ATOM 465 CG GLN A 30 0.943 13.997 14.592 1.00 0.00 C ATOM 466 CD GLN A 30 1.406 14.543 13.256 1.00 0.00 C ATOM 467 OE1 GLN A 30 0.976 15.613 12.826 1.00 0.00 O ATOM 468 NE2 GLN A 30 2.289 13.807 12.590 1.00 0.00 N ATOM 0 H GLN A 30 -3.252 14.176 14.713 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.024 14.514 12.790 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.622 15.339 15.166 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.854 13.690 15.713 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.554 14.425 15.387 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.101 12.919 14.614 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.619 12.926 12.984 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.637 14.123 11.685 1.00 0.00 H new ATOM 477 N LEU A 31 -1.380 12.152 12.137 1.00 0.00 N ATOM 478 CA LEU A 31 -1.437 10.748 11.746 1.00 0.00 C ATOM 479 C LEU A 31 -0.036 10.184 11.534 1.00 0.00 C ATOM 480 O LEU A 31 0.842 10.863 11.003 1.00 0.00 O ATOM 481 CB LEU A 31 -2.263 10.587 10.468 1.00 0.00 C ATOM 482 CG LEU A 31 -1.568 10.985 9.166 1.00 0.00 C ATOM 483 CD1 LEU A 31 -0.828 9.798 8.571 1.00 0.00 C ATOM 484 CD2 LEU A 31 -2.578 11.540 8.171 1.00 0.00 C ATOM 0 H LEU A 31 -1.229 12.800 11.364 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.914 10.191 12.552 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.572 9.545 10.388 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.171 11.182 10.569 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.840 11.765 9.389 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.340 10.101 7.645 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.077 9.445 9.278 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.536 8.995 8.363 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.066 11.818 7.250 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.329 10.781 7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.063 12.419 8.596 1.00 0.00 H new ATOM 496 N ASN A 32 0.165 8.938 11.950 1.00 0.00 N ATOM 497 CA ASN A 32 1.459 8.282 11.804 1.00 0.00 C ATOM 498 C ASN A 32 1.307 6.923 11.127 1.00 0.00 C ATOM 499 O ASN A 32 0.485 6.103 11.537 1.00 0.00 O ATOM 500 CB ASN A 32 2.126 8.113 13.170 1.00 0.00 C ATOM 501 CG ASN A 32 1.842 9.277 14.100 1.00 0.00 C ATOM 502 OD1 ASN A 32 1.988 10.439 13.721 1.00 0.00 O ATOM 503 ND2 ASN A 32 1.434 8.968 15.326 1.00 0.00 N ATOM 0 H ASN A 32 -0.552 8.362 12.391 1.00 0.00 H new ATOM 0 HA ASN A 32 2.089 8.912 11.176 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.775 7.189 13.631 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.203 8.013 13.036 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.228 9.708 15.997 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.327 7.990 15.597 1.00 0.00 H new ATOM 510 N ILE A 33 2.105 6.692 10.091 1.00 0.00 N ATOM 511 CA ILE A 33 2.061 5.432 9.359 1.00 0.00 C ATOM 512 C ILE A 33 2.965 4.388 10.006 1.00 0.00 C ATOM 513 O ILE A 33 3.922 4.726 10.703 1.00 0.00 O ATOM 514 CB ILE A 33 2.481 5.619 7.889 1.00 0.00 C ATOM 515 CG1 ILE A 33 1.872 6.902 7.321 1.00 0.00 C ATOM 516 CG2 ILE A 33 2.062 4.415 7.060 1.00 0.00 C ATOM 517 CD1 ILE A 33 0.364 6.857 7.209 1.00 0.00 C ATOM 0 H ILE A 33 2.790 7.361 9.739 1.00 0.00 H new ATOM 0 HA ILE A 33 1.028 5.085 9.391 1.00 0.00 H new ATOM 0 HB ILE A 33 3.567 5.704 7.846 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.156 7.741 7.956 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.296 7.090 6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.366 4.563 6.024 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.540 3.518 7.454 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.979 4.300 7.107 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.001 7.800 6.799 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.072 6.039 6.551 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.070 6.700 8.197 1.00 0.00 H new ATOM 529 N LYS A 34 2.656 3.118 9.769 1.00 0.00 N ATOM 530 CA LYS A 34 3.441 2.023 10.326 1.00 0.00 C ATOM 531 C LYS A 34 4.080 1.193 9.217 1.00 0.00 C ATOM 532 O LYS A 34 3.401 0.436 8.523 1.00 0.00 O ATOM 533 CB LYS A 34 2.559 1.129 11.202 1.00 0.00 C ATOM 534 CG LYS A 34 3.152 -0.246 11.458 1.00 0.00 C ATOM 535 CD LYS A 34 2.910 -0.699 12.888 1.00 0.00 C ATOM 536 CE LYS A 34 1.510 -1.266 13.064 1.00 0.00 C ATOM 537 NZ LYS A 34 1.171 -1.472 14.500 1.00 0.00 N ATOM 0 H LYS A 34 1.867 2.821 9.195 1.00 0.00 H new ATOM 0 HA LYS A 34 4.234 2.453 10.938 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.388 1.625 12.157 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.586 1.013 10.725 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.714 -0.967 10.768 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.223 -0.224 11.258 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.647 -1.455 13.161 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.051 0.143 13.566 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.785 -0.589 12.613 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.433 -2.215 12.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.209 -1.859 14.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.848 -2.138 14.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.219 -0.562 15.002 1.00 0.00 H new ATOM 551 N THR A 35 5.392 1.340 9.055 1.00 0.00 N ATOM 552 CA THR A 35 6.122 0.604 8.031 1.00 0.00 C ATOM 553 C THR A 35 7.348 -0.085 8.618 1.00 0.00 C ATOM 554 O THR A 35 7.741 0.187 9.752 1.00 0.00 O ATOM 555 CB THR A 35 6.569 1.531 6.884 1.00 0.00 C ATOM 556 OG1 THR A 35 7.206 0.766 5.855 1.00 0.00 O ATOM 557 CG2 THR A 35 7.524 2.600 7.393 1.00 0.00 C ATOM 0 H THR A 35 5.970 1.962 9.620 1.00 0.00 H new ATOM 0 HA THR A 35 5.440 -0.149 7.636 1.00 0.00 H new ATOM 0 HB THR A 35 5.684 2.021 6.477 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.485 1.362 5.129 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.826 3.242 6.566 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.026 3.200 8.155 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.405 2.125 7.824 1.00 0.00 H new ATOM 565 N ALA A 36 7.948 -0.979 7.839 1.00 0.00 N ATOM 566 CA ALA A 36 9.132 -1.706 8.282 1.00 0.00 C ATOM 567 C ALA A 36 10.328 -0.771 8.427 1.00 0.00 C ATOM 568 O ALA A 36 11.275 -1.067 9.155 1.00 0.00 O ATOM 569 CB ALA A 36 9.454 -2.832 7.311 1.00 0.00 C ATOM 0 H ALA A 36 7.634 -1.217 6.898 1.00 0.00 H new ATOM 0 HA ALA A 36 8.919 -2.135 9.261 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.340 -3.366 7.654 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.611 -3.522 7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.642 -2.416 6.321 1.00 0.00 H new ATOM 575 N SER A 37 10.279 0.358 7.727 1.00 0.00 N ATOM 576 CA SER A 37 11.361 1.334 7.774 1.00 0.00 C ATOM 577 C SER A 37 11.230 2.231 9.001 1.00 0.00 C ATOM 578 O SER A 37 12.180 2.908 9.393 1.00 0.00 O ATOM 579 CB SER A 37 11.363 2.186 6.503 1.00 0.00 C ATOM 580 OG SER A 37 12.601 2.081 5.821 1.00 0.00 O ATOM 0 H SER A 37 9.501 0.619 7.121 1.00 0.00 H new ATOM 0 HA SER A 37 12.304 0.792 7.841 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.554 1.867 5.846 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.173 3.228 6.760 1.00 0.00 H new ATOM 0 HG SER A 37 12.576 2.633 5.012 1.00 0.00 H new ATOM 586 N GLY A 38 10.045 2.231 9.603 1.00 0.00 N ATOM 587 CA GLY A 38 9.810 3.048 10.779 1.00 0.00 C ATOM 588 C GLY A 38 8.379 3.542 10.865 1.00 0.00 C ATOM 589 O GLY A 38 7.438 2.748 10.849 1.00 0.00 O ATOM 0 H GLY A 38 9.243 1.680 9.297 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.046 2.470 11.672 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.486 3.903 10.765 1.00 0.00 H new ATOM 593 N VAL A 39 8.214 4.858 10.959 1.00 0.00 N ATOM 594 CA VAL A 39 6.888 5.457 11.050 1.00 0.00 C ATOM 595 C VAL A 39 6.847 6.810 10.349 1.00 0.00 C ATOM 596 O VAL A 39 7.550 7.743 10.738 1.00 0.00 O ATOM 597 CB VAL A 39 6.452 5.637 12.516 1.00 0.00 C ATOM 598 CG1 VAL A 39 5.291 6.616 12.612 1.00 0.00 C ATOM 599 CG2 VAL A 39 6.081 4.296 13.130 1.00 0.00 C ATOM 0 H VAL A 39 8.982 5.529 10.974 1.00 0.00 H new ATOM 0 HA VAL A 39 6.198 4.774 10.555 1.00 0.00 H new ATOM 0 HB VAL A 39 7.290 6.049 13.078 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.997 6.730 13.655 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.597 7.583 12.213 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.447 6.237 12.036 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.775 4.442 14.166 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.258 3.854 12.568 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.943 3.630 13.097 1.00 0.00 H new ATOM 609 N GLU A 40 6.019 6.910 9.314 1.00 0.00 N ATOM 610 CA GLU A 40 5.888 8.151 8.558 1.00 0.00 C ATOM 611 C GLU A 40 4.848 9.068 9.196 1.00 0.00 C ATOM 612 O GLU A 40 3.655 8.767 9.193 1.00 0.00 O ATOM 613 CB GLU A 40 5.499 7.852 7.109 1.00 0.00 C ATOM 614 CG GLU A 40 6.692 7.645 6.190 1.00 0.00 C ATOM 615 CD GLU A 40 6.315 7.707 4.722 1.00 0.00 C ATOM 616 OE1 GLU A 40 6.457 6.678 4.030 1.00 0.00 O ATOM 617 OE2 GLU A 40 5.878 8.784 4.266 1.00 0.00 O ATOM 0 H GLU A 40 5.429 6.148 8.980 1.00 0.00 H new ATOM 0 HA GLU A 40 6.852 8.659 8.571 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.874 6.959 7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.895 8.674 6.727 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.444 8.405 6.401 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.147 6.678 6.404 1.00 0.00 H new ATOM 624 N GLN A 41 5.312 10.188 9.742 1.00 0.00 N ATOM 625 CA GLN A 41 4.423 11.149 10.385 1.00 0.00 C ATOM 626 C GLN A 41 3.875 12.147 9.370 1.00 0.00 C ATOM 627 O GLN A 41 4.587 12.578 8.464 1.00 0.00 O ATOM 628 CB GLN A 41 5.161 11.891 11.501 1.00 0.00 C ATOM 629 CG GLN A 41 5.942 10.974 12.428 1.00 0.00 C ATOM 630 CD GLN A 41 5.489 11.080 13.871 1.00 0.00 C ATOM 631 OE1 GLN A 41 5.887 11.995 14.593 1.00 0.00 O ATOM 632 NE2 GLN A 41 4.653 10.143 14.300 1.00 0.00 N ATOM 0 H GLN A 41 6.297 10.452 9.752 1.00 0.00 H new ATOM 0 HA GLN A 41 3.586 10.600 10.816 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.846 12.612 11.055 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.439 12.458 12.088 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.831 9.943 12.091 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.003 11.218 12.365 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.349 9.403 13.668 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.315 10.163 15.262 1.00 0.00 H new ATOM 641 N TRP A 42 2.607 12.508 9.529 1.00 0.00 N ATOM 642 CA TRP A 42 1.964 13.455 8.626 1.00 0.00 C ATOM 643 C TRP A 42 1.082 14.431 9.398 1.00 0.00 C ATOM 644 O TRP A 42 0.534 14.089 10.447 1.00 0.00 O ATOM 645 CB TRP A 42 1.129 12.711 7.583 1.00 0.00 C ATOM 646 CG TRP A 42 1.946 12.153 6.457 1.00 0.00 C ATOM 647 CD1 TRP A 42 2.430 10.881 6.346 1.00 0.00 C ATOM 648 CD2 TRP A 42 2.376 12.851 5.283 1.00 0.00 C ATOM 649 NE1 TRP A 42 3.135 10.746 5.175 1.00 0.00 N ATOM 650 CE2 TRP A 42 3.116 11.940 4.504 1.00 0.00 C ATOM 651 CE3 TRP A 42 2.206 14.156 4.813 1.00 0.00 C ATOM 652 CZ2 TRP A 42 3.685 12.295 3.283 1.00 0.00 C ATOM 653 CZ3 TRP A 42 2.772 14.507 3.601 1.00 0.00 C ATOM 654 CH2 TRP A 42 3.503 13.579 2.847 1.00 0.00 C ATOM 0 H TRP A 42 2.004 12.160 10.274 1.00 0.00 H new ATOM 0 HA TRP A 42 2.745 14.022 8.119 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.592 11.898 8.071 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.379 13.390 7.177 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.280 10.096 7.073 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.598 9.895 4.857 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.643 14.878 5.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.250 11.582 2.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.649 15.513 3.229 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.931 13.883 1.903 1.00 0.00 H new ATOM 665 N ILE A 43 0.950 15.645 8.874 1.00 0.00 N ATOM 666 CA ILE A 43 0.133 16.668 9.515 1.00 0.00 C ATOM 667 C ILE A 43 -1.070 17.031 8.651 1.00 0.00 C ATOM 668 O ILE A 43 -0.938 17.261 7.449 1.00 0.00 O ATOM 669 CB ILE A 43 0.950 17.942 9.801 1.00 0.00 C ATOM 670 CG1 ILE A 43 2.135 17.621 10.713 1.00 0.00 C ATOM 671 CG2 ILE A 43 0.065 19.008 10.429 1.00 0.00 C ATOM 672 CD1 ILE A 43 3.432 18.259 10.266 1.00 0.00 C ATOM 0 H ILE A 43 1.398 15.944 8.008 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.215 16.250 10.460 1.00 0.00 H new ATOM 0 HB ILE A 43 1.337 18.327 8.857 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.905 17.955 11.725 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.267 16.540 10.756 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.656 19.902 10.625 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.749 19.254 9.747 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.348 18.633 11.366 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.228 17.988 10.959 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.685 17.906 9.266 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.318 19.343 10.250 1.00 0.00 H new ATOM 684 N VAL A 44 -2.243 17.084 9.273 1.00 0.00 N ATOM 685 CA VAL A 44 -3.470 17.423 8.562 1.00 0.00 C ATOM 686 C VAL A 44 -4.278 18.466 9.327 1.00 0.00 C ATOM 687 O VAL A 44 -4.386 18.407 10.552 1.00 0.00 O ATOM 688 CB VAL A 44 -4.347 16.178 8.331 1.00 0.00 C ATOM 689 CG1 VAL A 44 -5.182 15.876 9.566 1.00 0.00 C ATOM 690 CG2 VAL A 44 -5.235 16.371 7.111 1.00 0.00 C ATOM 0 H VAL A 44 -2.370 16.897 10.268 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.174 17.833 7.597 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.694 15.325 8.146 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.795 14.993 9.384 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.523 15.691 10.414 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.827 16.727 9.786 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.848 15.482 6.963 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.881 17.235 7.264 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.613 16.534 6.231 1.00 0.00 H new ATOM 700 N ASP A 45 -4.845 19.419 8.596 1.00 0.00 N ATOM 701 CA ASP A 45 -5.646 20.475 9.205 1.00 0.00 C ATOM 702 C ASP A 45 -7.103 20.376 8.763 1.00 0.00 C ATOM 703 O ASP A 45 -7.392 20.044 7.613 1.00 0.00 O ATOM 704 CB ASP A 45 -5.081 21.848 8.838 1.00 0.00 C ATOM 705 CG ASP A 45 -5.288 22.872 9.937 1.00 0.00 C ATOM 706 OD1 ASP A 45 -4.281 23.349 10.501 1.00 0.00 O ATOM 707 OD2 ASP A 45 -6.457 23.196 10.234 1.00 0.00 O ATOM 0 H ASP A 45 -4.765 19.482 7.581 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.604 20.351 10.287 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.015 21.755 8.628 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.556 22.200 7.923 1.00 0.00 H new ATOM 712 N LEU A 46 -8.015 20.665 9.683 1.00 0.00 N ATOM 713 CA LEU A 46 -9.443 20.608 9.389 1.00 0.00 C ATOM 714 C LEU A 46 -9.986 21.993 9.052 1.00 0.00 C ATOM 715 O LEU A 46 -10.778 22.152 8.123 1.00 0.00 O ATOM 716 CB LEU A 46 -10.206 20.026 10.581 1.00 0.00 C ATOM 717 CG LEU A 46 -9.375 19.224 11.583 1.00 0.00 C ATOM 718 CD1 LEU A 46 -10.220 18.834 12.786 1.00 0.00 C ATOM 719 CD2 LEU A 46 -8.787 17.987 10.919 1.00 0.00 C ATOM 0 H LEU A 46 -7.792 20.941 10.639 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.585 19.962 8.523 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.688 20.846 11.113 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.999 19.383 10.200 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.554 19.851 11.929 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.612 18.264 13.488 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.593 19.734 13.276 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.062 18.225 12.457 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.199 17.428 11.647 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.594 17.357 10.544 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.147 18.289 10.090 1.00 0.00 H new ATOM 731 N LYS A 47 -9.552 22.994 9.810 1.00 0.00 N ATOM 732 CA LYS A 47 -9.990 24.367 9.590 1.00 0.00 C ATOM 733 C LYS A 47 -9.970 24.713 8.105 1.00 0.00 C ATOM 734 O LYS A 47 -11.012 24.975 7.506 1.00 0.00 O ATOM 735 CB LYS A 47 -9.097 25.339 10.364 1.00 0.00 C ATOM 736 CG LYS A 47 -8.841 24.919 11.801 1.00 0.00 C ATOM 737 CD LYS A 47 -9.171 26.036 12.776 1.00 0.00 C ATOM 738 CE LYS A 47 -7.926 26.811 13.179 1.00 0.00 C ATOM 739 NZ LYS A 47 -8.161 27.652 14.385 1.00 0.00 N ATOM 0 H LYS A 47 -8.896 22.880 10.583 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.014 24.458 9.952 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.142 25.433 9.846 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.560 26.326 10.360 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.441 24.040 12.037 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.796 24.631 11.916 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.892 26.715 12.322 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.643 25.617 13.664 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.112 26.113 13.376 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.609 27.445 12.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.289 28.164 14.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.920 28.335 14.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.439 27.045 15.183 1.00 0.00 H new ATOM 753 N GLN A 48 -8.777 24.712 7.518 1.00 0.00 N ATOM 754 CA GLN A 48 -8.623 25.025 6.102 1.00 0.00 C ATOM 755 C GLN A 48 -8.342 23.764 5.293 1.00 0.00 C ATOM 756 O GLN A 48 -8.510 22.647 5.785 1.00 0.00 O ATOM 757 CB GLN A 48 -7.492 26.036 5.902 1.00 0.00 C ATOM 758 CG GLN A 48 -7.562 27.222 6.850 1.00 0.00 C ATOM 759 CD GLN A 48 -6.546 28.297 6.516 1.00 0.00 C ATOM 760 OE1 GLN A 48 -5.425 28.288 7.025 1.00 0.00 O ATOM 761 NE2 GLN A 48 -6.934 29.231 5.656 1.00 0.00 N ATOM 0 H GLN A 48 -7.904 24.498 8.001 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.558 25.461 5.748 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.536 25.530 6.036 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.519 26.400 4.875 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.564 27.651 6.816 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.398 26.877 7.871 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.873 29.200 5.258 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.293 29.980 5.393 1.00 0.00 H new ATOM 770 N LEU A 49 -7.915 23.948 4.048 1.00 0.00 N ATOM 771 CA LEU A 49 -7.611 22.824 3.169 1.00 0.00 C ATOM 772 C LEU A 49 -6.121 22.774 2.845 1.00 0.00 C ATOM 773 O LEU A 49 -5.703 23.129 1.743 1.00 0.00 O ATOM 774 CB LEU A 49 -8.423 22.928 1.877 1.00 0.00 C ATOM 775 CG LEU A 49 -9.944 22.909 2.036 1.00 0.00 C ATOM 776 CD1 LEU A 49 -10.372 21.761 2.937 1.00 0.00 C ATOM 777 CD2 LEU A 49 -10.438 24.237 2.591 1.00 0.00 C ATOM 0 H LEU A 49 -7.772 24.865 3.625 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.882 21.904 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.143 23.850 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.136 22.104 1.224 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.391 22.759 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.457 21.763 3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -10.051 20.816 2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.915 21.880 3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.522 24.206 2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.982 24.416 3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.164 25.041 1.908 1.00 0.00 H new ATOM 789 N LYS A 50 -5.325 22.329 3.811 1.00 0.00 N ATOM 790 CA LYS A 50 -3.882 22.228 3.629 1.00 0.00 C ATOM 791 C LYS A 50 -3.355 20.907 4.178 1.00 0.00 C ATOM 792 O LYS A 50 -4.038 20.224 4.942 1.00 0.00 O ATOM 793 CB LYS A 50 -3.177 23.398 4.320 1.00 0.00 C ATOM 794 CG LYS A 50 -3.264 23.350 5.835 1.00 0.00 C ATOM 795 CD LYS A 50 -2.067 22.636 6.440 1.00 0.00 C ATOM 796 CE LYS A 50 -0.949 23.610 6.779 1.00 0.00 C ATOM 797 NZ LYS A 50 -0.312 24.171 5.555 1.00 0.00 N ATOM 0 H LYS A 50 -5.655 22.032 4.729 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.672 22.266 2.560 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.128 23.405 4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.613 24.333 3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.321 24.365 6.229 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.181 22.841 6.132 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.375 22.107 7.342 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.698 21.886 5.741 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.347 24.423 7.386 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.195 23.102 7.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.607 24.591 5.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.169 23.412 4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.928 24.903 5.147 1.00 0.00 H new ATOM 811 N VAL A 51 -2.136 20.552 3.786 1.00 0.00 N ATOM 812 CA VAL A 51 -1.517 19.313 4.241 1.00 0.00 C ATOM 813 C VAL A 51 -0.005 19.467 4.362 1.00 0.00 C ATOM 814 O VAL A 51 0.632 20.120 3.535 1.00 0.00 O ATOM 815 CB VAL A 51 -1.828 18.145 3.286 1.00 0.00 C ATOM 816 CG1 VAL A 51 -0.896 16.973 3.554 1.00 0.00 C ATOM 817 CG2 VAL A 51 -3.283 17.722 3.419 1.00 0.00 C ATOM 0 H VAL A 51 -1.557 21.105 3.154 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.937 19.091 5.222 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.663 18.481 2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.131 16.158 2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.137 17.287 3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.025 16.633 4.582 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.486 16.896 2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.477 17.403 4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.931 18.563 3.172 1.00 0.00 H new ATOM 827 N ASP A 52 0.565 18.860 5.398 1.00 0.00 N ATOM 828 CA ASP A 52 2.003 18.928 5.628 1.00 0.00 C ATOM 829 C ASP A 52 2.545 17.578 6.085 1.00 0.00 C ATOM 830 O ASP A 52 1.795 16.728 6.564 1.00 0.00 O ATOM 831 CB ASP A 52 2.325 20.000 6.671 1.00 0.00 C ATOM 832 CG ASP A 52 1.284 21.102 6.709 1.00 0.00 C ATOM 833 OD1 ASP A 52 0.179 20.857 7.237 1.00 0.00 O ATOM 834 OD2 ASP A 52 1.574 22.209 6.211 1.00 0.00 O ATOM 0 H ASP A 52 0.052 18.315 6.092 1.00 0.00 H new ATOM 0 HA ASP A 52 2.484 19.192 4.686 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.395 19.536 7.655 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.301 20.433 6.453 1.00 0.00 H new ATOM 839 N GLN A 53 3.852 17.387 5.931 1.00 0.00 N ATOM 840 CA GLN A 53 4.493 16.139 6.327 1.00 0.00 C ATOM 841 C GLN A 53 5.305 16.324 7.604 1.00 0.00 C ATOM 842 O GLN A 53 5.923 17.367 7.812 1.00 0.00 O ATOM 843 CB GLN A 53 5.397 15.627 5.204 1.00 0.00 C ATOM 844 CG GLN A 53 5.731 14.149 5.318 1.00 0.00 C ATOM 845 CD GLN A 53 6.374 13.597 4.060 1.00 0.00 C ATOM 846 OE1 GLN A 53 6.432 14.272 3.032 1.00 0.00 O ATOM 847 NE2 GLN A 53 6.860 12.364 4.136 1.00 0.00 N ATOM 0 H GLN A 53 4.487 18.080 5.535 1.00 0.00 H new ATOM 0 HA GLN A 53 3.711 15.404 6.519 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.910 15.808 4.246 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.323 16.201 5.204 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.403 13.996 6.162 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.820 13.590 5.531 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.790 11.841 5.009 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.304 11.940 3.321 1.00 0.00 H new ATOM 856 N GLY A 54 5.297 15.305 8.458 1.00 0.00 N ATOM 857 CA GLY A 54 6.036 15.376 9.705 1.00 0.00 C ATOM 858 C GLY A 54 5.126 15.404 10.917 1.00 0.00 C ATOM 859 O GLY A 54 3.976 14.970 10.849 1.00 0.00 O ATOM 0 H GLY A 54 4.792 14.432 8.308 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.705 14.519 9.777 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.661 16.269 9.703 1.00 0.00 H new ATOM 863 N VAL A 55 5.642 15.915 12.031 1.00 0.00 N ATOM 864 CA VAL A 55 4.868 15.997 13.264 1.00 0.00 C ATOM 865 C VAL A 55 4.605 17.448 13.652 1.00 0.00 C ATOM 866 O VAL A 55 5.535 18.205 13.933 1.00 0.00 O ATOM 867 CB VAL A 55 5.588 15.289 14.427 1.00 0.00 C ATOM 868 CG1 VAL A 55 6.985 15.859 14.617 1.00 0.00 C ATOM 869 CG2 VAL A 55 4.776 15.408 15.707 1.00 0.00 C ATOM 0 H VAL A 55 6.592 16.278 12.105 1.00 0.00 H new ATOM 0 HA VAL A 55 3.918 15.496 13.076 1.00 0.00 H new ATOM 0 HB VAL A 55 5.684 14.231 14.182 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.478 15.346 15.443 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.563 15.716 13.704 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.916 16.924 14.840 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.299 14.902 16.518 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.646 16.460 15.959 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.799 14.947 15.562 1.00 0.00 H new ATOM 879 N PHE A 56 3.332 17.829 13.665 1.00 0.00 N ATOM 880 CA PHE A 56 2.946 19.190 14.019 1.00 0.00 C ATOM 881 C PHE A 56 3.569 19.605 15.348 1.00 0.00 C ATOM 882 O PHE A 56 3.777 18.776 16.234 1.00 0.00 O ATOM 883 CB PHE A 56 1.422 19.306 14.098 1.00 0.00 C ATOM 884 CG PHE A 56 0.916 20.706 13.895 1.00 0.00 C ATOM 885 CD1 PHE A 56 1.378 21.478 12.841 1.00 0.00 C ATOM 886 CD2 PHE A 56 -0.020 21.250 14.760 1.00 0.00 C ATOM 887 CE1 PHE A 56 0.914 22.766 12.652 1.00 0.00 C ATOM 888 CE2 PHE A 56 -0.488 22.537 14.575 1.00 0.00 C ATOM 889 CZ PHE A 56 -0.020 23.297 13.521 1.00 0.00 C ATOM 0 H PHE A 56 2.551 17.215 13.435 1.00 0.00 H new ATOM 0 HA PHE A 56 3.315 19.859 13.242 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.977 18.655 13.346 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.088 18.945 15.071 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.109 21.068 12.160 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.388 20.662 15.588 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.281 23.357 11.826 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.220 22.949 15.255 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.383 24.304 13.376 1.00 0.00 H new ATOM 899 N ALA A 57 3.864 20.894 15.480 1.00 0.00 N ATOM 900 CA ALA A 57 4.462 21.420 16.701 1.00 0.00 C ATOM 901 C ALA A 57 3.547 21.195 17.901 1.00 0.00 C ATOM 902 O ALA A 57 4.012 21.080 19.035 1.00 0.00 O ATOM 903 CB ALA A 57 4.772 22.901 16.542 1.00 0.00 C ATOM 0 H ALA A 57 3.699 21.593 14.756 1.00 0.00 H new ATOM 0 HA ALA A 57 5.393 20.883 16.881 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.218 23.280 17.461 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.470 23.040 15.716 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.851 23.445 16.334 1.00 0.00 H new ATOM 909 N SER A 58 2.245 21.133 17.643 1.00 0.00 N ATOM 910 CA SER A 58 1.265 20.927 18.702 1.00 0.00 C ATOM 911 C SER A 58 -0.100 20.572 18.119 1.00 0.00 C ATOM 912 O SER A 58 -1.025 21.383 18.099 1.00 0.00 O ATOM 913 CB SER A 58 1.150 22.181 19.572 1.00 0.00 C ATOM 914 OG SER A 58 0.607 21.871 20.844 1.00 0.00 O ATOM 0 H SER A 58 1.844 21.223 16.709 1.00 0.00 H new ATOM 0 HA SER A 58 1.605 20.095 19.319 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.134 22.634 19.694 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.519 22.917 19.073 1.00 0.00 H new ATOM 0 HG SER A 58 0.545 22.688 21.381 1.00 0.00 H new ATOM 920 N PRO A 59 -0.228 19.329 17.631 1.00 0.00 N ATOM 921 CA PRO A 59 -1.475 18.836 17.038 1.00 0.00 C ATOM 922 C PRO A 59 -2.576 18.648 18.076 1.00 0.00 C ATOM 923 O PRO A 59 -2.304 18.549 19.273 1.00 0.00 O ATOM 924 CB PRO A 59 -1.073 17.488 16.435 1.00 0.00 C ATOM 925 CG PRO A 59 0.104 17.051 17.237 1.00 0.00 C ATOM 926 CD PRO A 59 0.833 18.309 17.622 1.00 0.00 C ATOM 0 HA PRO A 59 -1.886 19.538 16.312 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.887 16.766 16.501 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.819 17.586 15.380 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.210 16.496 18.121 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.747 16.389 16.657 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.308 18.215 18.598 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.619 18.553 16.907 1.00 0.00 H new ATOM 934 N ASP A 60 -3.819 18.600 17.611 1.00 0.00 N ATOM 935 CA ASP A 60 -4.962 18.422 18.500 1.00 0.00 C ATOM 936 C ASP A 60 -5.060 16.976 18.975 1.00 0.00 C ATOM 937 O ASP A 60 -5.374 16.713 20.136 1.00 0.00 O ATOM 938 CB ASP A 60 -6.255 18.828 17.791 1.00 0.00 C ATOM 939 CG ASP A 60 -7.183 19.621 18.689 1.00 0.00 C ATOM 940 OD1 ASP A 60 -7.114 19.440 19.923 1.00 0.00 O ATOM 941 OD2 ASP A 60 -7.979 20.425 18.158 1.00 0.00 O ATOM 0 H ASP A 60 -4.061 18.682 16.624 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.818 19.063 19.370 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.012 19.422 16.910 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.770 17.934 17.440 1.00 0.00 H new ATOM 946 N VAL A 61 -4.791 16.041 18.070 1.00 0.00 N ATOM 947 CA VAL A 61 -4.850 14.621 18.396 1.00 0.00 C ATOM 948 C VAL A 61 -3.797 13.836 17.623 1.00 0.00 C ATOM 949 O VAL A 61 -3.403 14.220 16.521 1.00 0.00 O ATOM 950 CB VAL A 61 -6.240 14.032 18.092 1.00 0.00 C ATOM 951 CG1 VAL A 61 -6.377 12.645 18.701 1.00 0.00 C ATOM 952 CG2 VAL A 61 -7.334 14.957 18.603 1.00 0.00 C ATOM 0 H VAL A 61 -4.530 16.241 17.105 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.653 14.533 19.464 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.348 13.941 17.011 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.366 12.245 18.476 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.615 11.987 18.283 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.249 12.708 19.782 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.309 14.525 18.380 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.231 15.082 19.681 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.247 15.928 18.115 1.00 0.00 H new ATOM 962 N THR A 62 -3.343 12.731 18.207 1.00 0.00 N ATOM 963 CA THR A 62 -2.334 11.891 17.573 1.00 0.00 C ATOM 964 C THR A 62 -2.884 10.500 17.278 1.00 0.00 C ATOM 965 O THR A 62 -2.971 9.654 18.168 1.00 0.00 O ATOM 966 CB THR A 62 -1.079 11.757 18.456 1.00 0.00 C ATOM 967 OG1 THR A 62 -0.778 13.014 19.073 1.00 0.00 O ATOM 968 CG2 THR A 62 0.114 11.292 17.634 1.00 0.00 C ATOM 0 H THR A 62 -3.658 12.397 19.118 1.00 0.00 H new ATOM 0 HA THR A 62 -2.060 12.377 16.637 1.00 0.00 H new ATOM 0 HB THR A 62 -1.282 11.013 19.227 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.020 12.920 19.634 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.988 11.205 18.279 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.107 10.322 17.189 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.316 12.016 16.845 1.00 0.00 H new ATOM 976 N VAL A 63 -3.254 10.269 16.022 1.00 0.00 N ATOM 977 CA VAL A 63 -3.794 8.980 15.609 1.00 0.00 C ATOM 978 C VAL A 63 -2.724 8.125 14.940 1.00 0.00 C ATOM 979 O VAL A 63 -1.846 8.639 14.245 1.00 0.00 O ATOM 980 CB VAL A 63 -4.978 9.152 14.640 1.00 0.00 C ATOM 981 CG1 VAL A 63 -4.479 9.409 13.226 1.00 0.00 C ATOM 982 CG2 VAL A 63 -5.881 7.928 14.680 1.00 0.00 C ATOM 0 H VAL A 63 -3.189 10.958 15.273 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.143 8.479 16.512 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.561 10.017 14.957 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.330 9.528 12.556 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.877 10.317 13.212 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.872 8.566 12.896 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.713 8.067 13.989 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.311 7.046 14.389 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.267 7.794 15.690 1.00 0.00 H new ATOM 992 N THR A 64 -2.802 6.815 15.153 1.00 0.00 N ATOM 993 CA THR A 64 -1.840 5.887 14.572 1.00 0.00 C ATOM 994 C THR A 64 -2.539 4.828 13.727 1.00 0.00 C ATOM 995 O THR A 64 -3.482 4.181 14.181 1.00 0.00 O ATOM 996 CB THR A 64 -1.003 5.189 15.661 1.00 0.00 C ATOM 997 OG1 THR A 64 -0.570 6.146 16.634 1.00 0.00 O ATOM 998 CG2 THR A 64 0.206 4.495 15.052 1.00 0.00 C ATOM 0 H THR A 64 -3.522 6.373 15.724 1.00 0.00 H new ATOM 0 HA THR A 64 -1.177 6.475 13.937 1.00 0.00 H new ATOM 0 HB THR A 64 -1.628 4.438 16.144 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.040 5.694 17.324 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.782 4.009 15.840 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.128 3.747 14.333 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.831 5.231 14.546 1.00 0.00 H new ATOM 1006 N VAL A 65 -2.069 4.654 12.496 1.00 0.00 N ATOM 1007 CA VAL A 65 -2.648 3.672 11.588 1.00 0.00 C ATOM 1008 C VAL A 65 -1.600 3.130 10.623 1.00 0.00 C ATOM 1009 O VAL A 65 -0.645 3.823 10.274 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.813 4.273 10.779 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -3.344 5.484 9.987 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -4.418 3.225 9.857 1.00 0.00 C ATOM 0 H VAL A 65 -1.288 5.181 12.105 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.026 2.856 12.204 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.585 4.600 11.475 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.180 5.895 9.422 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.962 6.241 10.672 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.553 5.185 9.299 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.240 3.667 9.293 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.656 2.865 9.166 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.793 2.391 10.450 1.00 0.00 H new ATOM 1022 N GLY A 66 -1.785 1.885 10.194 1.00 0.00 N ATOM 1023 CA GLY A 66 -0.847 1.271 9.272 1.00 0.00 C ATOM 1024 C GLY A 66 -1.113 1.658 7.831 1.00 0.00 C ATOM 1025 O GLY A 66 -2.121 2.297 7.528 1.00 0.00 O ATOM 0 H GLY A 66 -2.567 1.291 10.468 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.168 1.564 9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.903 0.187 9.370 1.00 0.00 H new ATOM 1029 N LEU A 67 -0.206 1.273 6.940 1.00 0.00 N ATOM 1030 CA LEU A 67 -0.346 1.585 5.522 1.00 0.00 C ATOM 1031 C LEU A 67 -1.559 0.879 4.926 1.00 0.00 C ATOM 1032 O LEU A 67 -2.450 1.520 4.369 1.00 0.00 O ATOM 1033 CB LEU A 67 0.919 1.178 4.763 1.00 0.00 C ATOM 1034 CG LEU A 67 2.246 1.470 5.464 1.00 0.00 C ATOM 1035 CD1 LEU A 67 3.038 0.187 5.662 1.00 0.00 C ATOM 1036 CD2 LEU A 67 3.057 2.483 4.670 1.00 0.00 C ATOM 0 H LEU A 67 0.634 0.744 7.174 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.491 2.661 5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.867 0.109 4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.920 1.688 3.800 1.00 0.00 H new ATOM 0 HG LEU A 67 2.032 1.895 6.444 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.979 0.414 6.162 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.460 -0.507 6.273 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.243 -0.267 4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.998 2.679 5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.262 2.086 3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.493 3.411 4.581 1.00 0.00 H new ATOM 1048 N GLU A 68 -1.588 -0.444 5.050 1.00 0.00 N ATOM 1049 CA GLU A 68 -2.694 -1.236 4.524 1.00 0.00 C ATOM 1050 C GLU A 68 -4.029 -0.733 5.066 1.00 0.00 C ATOM 1051 O GLU A 68 -4.951 -0.444 4.303 1.00 0.00 O ATOM 1052 CB GLU A 68 -2.509 -2.712 4.882 1.00 0.00 C ATOM 1053 CG GLU A 68 -1.154 -3.271 4.481 1.00 0.00 C ATOM 1054 CD GLU A 68 -1.219 -4.735 4.092 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -0.549 -5.555 4.754 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -1.939 -5.062 3.125 1.00 0.00 O ATOM 0 H GLU A 68 -0.859 -0.990 5.510 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.699 -1.131 3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.640 -2.835 5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.291 -3.296 4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.760 -2.694 3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.456 -3.150 5.309 1.00 0.00 H new ATOM 1063 N ASP A 69 -4.124 -0.633 6.387 1.00 0.00 N ATOM 1064 CA ASP A 69 -5.345 -0.166 7.032 1.00 0.00 C ATOM 1065 C ASP A 69 -5.790 1.172 6.449 1.00 0.00 C ATOM 1066 O ASP A 69 -6.932 1.321 6.014 1.00 0.00 O ATOM 1067 CB ASP A 69 -5.132 -0.032 8.541 1.00 0.00 C ATOM 1068 CG ASP A 69 -4.401 -1.223 9.130 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -4.600 -2.349 8.628 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -3.629 -1.028 10.092 1.00 0.00 O ATOM 0 H ASP A 69 -3.370 -0.869 7.032 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.128 -0.902 6.847 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.565 0.876 8.746 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -6.098 0.077 9.033 1.00 0.00 H new ATOM 1075 N MET A 70 -4.881 2.141 6.444 1.00 0.00 N ATOM 1076 CA MET A 70 -5.181 3.466 5.914 1.00 0.00 C ATOM 1077 C MET A 70 -5.473 3.400 4.418 1.00 0.00 C ATOM 1078 O MET A 70 -6.159 4.264 3.870 1.00 0.00 O ATOM 1079 CB MET A 70 -4.013 4.420 6.176 1.00 0.00 C ATOM 1080 CG MET A 70 -4.439 5.868 6.350 1.00 0.00 C ATOM 1081 SD MET A 70 -3.094 6.923 6.924 1.00 0.00 S ATOM 1082 CE MET A 70 -3.990 8.085 7.951 1.00 0.00 C ATOM 0 H MET A 70 -3.931 2.034 6.801 1.00 0.00 H new ATOM 0 HA MET A 70 -6.069 3.841 6.423 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.483 4.095 7.072 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.308 4.354 5.347 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.814 6.249 5.400 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.263 5.917 7.061 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.389 8.338 8.824 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.199 8.990 7.380 1.00 0.00 H new ATOM 0 HE3 MET A 70 -4.929 7.636 8.275 1.00 0.00 H new ATOM 1092 N LEU A 71 -4.947 2.371 3.762 1.00 0.00 N ATOM 1093 CA LEU A 71 -5.152 2.192 2.329 1.00 0.00 C ATOM 1094 C LEU A 71 -6.631 2.005 2.009 1.00 0.00 C ATOM 1095 O LEU A 71 -7.167 2.646 1.106 1.00 0.00 O ATOM 1096 CB LEU A 71 -4.353 0.988 1.826 1.00 0.00 C ATOM 1097 CG LEU A 71 -4.048 0.963 0.328 1.00 0.00 C ATOM 1098 CD1 LEU A 71 -2.665 0.385 0.075 1.00 0.00 C ATOM 1099 CD2 LEU A 71 -5.107 0.165 -0.418 1.00 0.00 C ATOM 0 H LEU A 71 -4.376 1.648 4.200 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.801 3.091 1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.409 0.951 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.902 0.081 2.080 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.064 1.987 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.465 0.375 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.917 0.998 0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.620 -0.633 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.874 0.158 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.123 -0.858 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.084 0.623 -0.263 1.00 0.00 H new ATOM 1111 N ALA A 72 -7.286 1.123 2.758 1.00 0.00 N ATOM 1112 CA ALA A 72 -8.705 0.855 2.557 1.00 0.00 C ATOM 1113 C ALA A 72 -9.541 2.104 2.811 1.00 0.00 C ATOM 1114 O ALA A 72 -10.596 2.290 2.204 1.00 0.00 O ATOM 1115 CB ALA A 72 -9.160 -0.281 3.462 1.00 0.00 C ATOM 0 H ALA A 72 -6.857 0.582 3.509 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.850 0.558 1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.221 -0.471 3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.591 -1.181 3.230 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.994 -0.005 4.503 1.00 0.00 H new ATOM 1121 N ILE A 73 -9.065 2.957 3.712 1.00 0.00 N ATOM 1122 CA ILE A 73 -9.769 4.188 4.046 1.00 0.00 C ATOM 1123 C ILE A 73 -9.517 5.267 2.998 1.00 0.00 C ATOM 1124 O ILE A 73 -10.440 5.710 2.314 1.00 0.00 O ATOM 1125 CB ILE A 73 -9.347 4.722 5.427 1.00 0.00 C ATOM 1126 CG1 ILE A 73 -9.298 3.582 6.446 1.00 0.00 C ATOM 1127 CG2 ILE A 73 -10.303 5.812 5.889 1.00 0.00 C ATOM 1128 CD1 ILE A 73 -8.777 4.004 7.802 1.00 0.00 C ATOM 0 H ILE A 73 -8.194 2.817 4.224 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.832 3.947 4.068 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.349 5.153 5.344 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.299 3.168 6.564 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.667 2.784 6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.991 6.179 6.867 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.292 6.633 5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.312 5.405 5.959 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.770 3.145 8.473 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.763 4.391 7.698 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.421 4.781 8.214 1.00 0.00 H new ATOM 1140 N SER A 74 -8.261 5.684 2.875 1.00 0.00 N ATOM 1141 CA SER A 74 -7.887 6.712 1.911 1.00 0.00 C ATOM 1142 C SER A 74 -8.292 6.305 0.498 1.00 0.00 C ATOM 1143 O SER A 74 -8.617 7.150 -0.335 1.00 0.00 O ATOM 1144 CB SER A 74 -6.380 6.970 1.968 1.00 0.00 C ATOM 1145 OG SER A 74 -5.672 6.032 1.175 1.00 0.00 O ATOM 0 H SER A 74 -7.485 5.325 3.431 1.00 0.00 H new ATOM 0 HA SER A 74 -8.416 7.629 2.171 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.167 7.980 1.619 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.036 6.911 3.001 1.00 0.00 H new ATOM 0 HG SER A 74 -5.564 5.196 1.675 1.00 0.00 H new ATOM 1151 N GLY A 75 -8.271 5.001 0.235 1.00 0.00 N ATOM 1152 CA GLY A 75 -8.638 4.503 -1.078 1.00 0.00 C ATOM 1153 C GLY A 75 -10.136 4.522 -1.307 1.00 0.00 C ATOM 1154 O GLY A 75 -10.613 4.147 -2.378 1.00 0.00 O ATOM 0 H GLY A 75 -8.006 4.281 0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.149 5.107 -1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.269 3.484 -1.193 1.00 0.00 H new ATOM 1158 N LYS A 76 -10.882 4.959 -0.298 1.00 0.00 N ATOM 1159 CA LYS A 76 -12.335 5.025 -0.393 1.00 0.00 C ATOM 1160 C LYS A 76 -12.936 3.630 -0.528 1.00 0.00 C ATOM 1161 O LYS A 76 -13.658 3.343 -1.484 1.00 0.00 O ATOM 1162 CB LYS A 76 -12.750 5.889 -1.587 1.00 0.00 C ATOM 1163 CG LYS A 76 -14.067 6.617 -1.382 1.00 0.00 C ATOM 1164 CD LYS A 76 -14.802 6.821 -2.696 1.00 0.00 C ATOM 1165 CE LYS A 76 -16.056 5.964 -2.773 1.00 0.00 C ATOM 1166 NZ LYS A 76 -15.804 4.673 -3.471 1.00 0.00 N ATOM 0 H LYS A 76 -10.504 5.273 0.596 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.714 5.477 0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.967 6.621 -1.785 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.827 5.258 -2.472 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.696 6.048 -0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.880 7.584 -0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -15.071 7.872 -2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.140 6.574 -3.526 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -16.423 5.767 -1.766 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.839 6.513 -3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.691 4.133 -3.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.445 4.861 -4.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.100 4.123 -2.939 1.00 0.00 H new ATOM 1180 N THR A 77 -12.635 2.765 0.435 1.00 0.00 N ATOM 1181 CA THR A 77 -13.145 1.400 0.424 1.00 0.00 C ATOM 1182 C THR A 77 -13.785 1.040 1.760 1.00 0.00 C ATOM 1183 O THR A 77 -14.974 0.729 1.828 1.00 0.00 O ATOM 1184 CB THR A 77 -12.029 0.385 0.112 1.00 0.00 C ATOM 1185 OG1 THR A 77 -10.907 1.056 -0.472 1.00 0.00 O ATOM 1186 CG2 THR A 77 -12.529 -0.696 -0.834 1.00 0.00 C ATOM 0 H THR A 77 -12.040 2.986 1.233 1.00 0.00 H new ATOM 0 HA THR A 77 -13.899 1.352 -0.361 1.00 0.00 H new ATOM 0 HB THR A 77 -11.724 -0.086 1.047 1.00 0.00 H new ATOM 0 HG1 THR A 77 -10.441 1.574 0.217 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.723 -1.401 -1.039 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.364 -1.224 -0.374 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.858 -0.239 -1.767 1.00 0.00 H new ATOM 1194 N LEU A 78 -12.988 1.086 2.823 1.00 0.00 N ATOM 1195 CA LEU A 78 -13.477 0.766 4.160 1.00 0.00 C ATOM 1196 C LEU A 78 -14.034 2.008 4.848 1.00 0.00 C ATOM 1197 O LEU A 78 -13.858 3.129 4.369 1.00 0.00 O ATOM 1198 CB LEU A 78 -12.353 0.162 5.003 1.00 0.00 C ATOM 1199 CG LEU A 78 -12.426 -1.348 5.237 1.00 0.00 C ATOM 1200 CD1 LEU A 78 -11.122 -1.860 5.827 1.00 0.00 C ATOM 1201 CD2 LEU A 78 -13.596 -1.690 6.148 1.00 0.00 C ATOM 0 H LEU A 78 -12.001 1.342 2.785 1.00 0.00 H new ATOM 0 HA LEU A 78 -14.281 0.037 4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.402 0.389 4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.346 0.660 5.973 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.584 -1.838 4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.193 -2.936 5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.303 -1.648 5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.934 -1.364 6.779 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -13.633 -2.768 6.304 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.469 -1.189 7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.526 -1.358 5.686 1.00 0.00 H new ATOM 1213 N THR A 79 -14.706 1.802 5.977 1.00 0.00 N ATOM 1214 CA THR A 79 -15.288 2.904 6.732 1.00 0.00 C ATOM 1215 C THR A 79 -14.611 3.058 8.089 1.00 0.00 C ATOM 1216 O THR A 79 -14.138 2.083 8.673 1.00 0.00 O ATOM 1217 CB THR A 79 -16.800 2.702 6.945 1.00 0.00 C ATOM 1218 OG1 THR A 79 -17.030 1.550 7.763 1.00 0.00 O ATOM 1219 CG2 THR A 79 -17.517 2.536 5.614 1.00 0.00 C ATOM 0 H THR A 79 -14.860 0.881 6.388 1.00 0.00 H new ATOM 0 HA THR A 79 -15.129 3.809 6.145 1.00 0.00 H new ATOM 0 HB THR A 79 -17.195 3.587 7.444 1.00 0.00 H new ATOM 0 HG1 THR A 79 -17.994 1.430 7.895 1.00 0.00 H new ATOM 0 HG21 THR A 79 -18.583 2.395 5.790 1.00 0.00 H new ATOM 0 HG22 THR A 79 -17.365 3.427 5.005 1.00 0.00 H new ATOM 0 HG23 THR A 79 -17.117 1.667 5.091 1.00 0.00 H new ATOM 1227 N VAL A 80 -14.568 4.290 8.587 1.00 0.00 N ATOM 1228 CA VAL A 80 -13.951 4.572 9.877 1.00 0.00 C ATOM 1229 C VAL A 80 -14.456 3.613 10.950 1.00 0.00 C ATOM 1230 O VAL A 80 -13.681 3.107 11.760 1.00 0.00 O ATOM 1231 CB VAL A 80 -14.226 6.019 10.327 1.00 0.00 C ATOM 1232 CG1 VAL A 80 -13.748 6.235 11.755 1.00 0.00 C ATOM 1233 CG2 VAL A 80 -13.563 7.007 9.379 1.00 0.00 C ATOM 0 H VAL A 80 -14.953 5.109 8.116 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.877 4.437 9.750 1.00 0.00 H new ATOM 0 HB VAL A 80 -15.302 6.191 10.300 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.951 7.263 12.055 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.274 5.552 12.422 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.676 6.045 11.813 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.768 8.024 9.712 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.486 6.837 9.371 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -13.959 6.868 8.373 1.00 0.00 H new ATOM 1243 N GLY A 81 -15.763 3.368 10.948 1.00 0.00 N ATOM 1244 CA GLY A 81 -16.350 2.470 11.925 1.00 0.00 C ATOM 1245 C GLY A 81 -15.765 1.073 11.855 1.00 0.00 C ATOM 1246 O GLY A 81 -15.530 0.438 12.883 1.00 0.00 O ATOM 0 H GLY A 81 -16.425 3.775 10.288 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.196 2.875 12.925 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.427 2.418 11.765 1.00 0.00 H new ATOM 1250 N ASP A 82 -15.529 0.593 10.639 1.00 0.00 N ATOM 1251 CA ASP A 82 -14.968 -0.738 10.437 1.00 0.00 C ATOM 1252 C ASP A 82 -13.561 -0.828 11.020 1.00 0.00 C ATOM 1253 O ASP A 82 -13.270 -1.707 11.830 1.00 0.00 O ATOM 1254 CB ASP A 82 -14.940 -1.083 8.948 1.00 0.00 C ATOM 1255 CG ASP A 82 -15.834 -2.260 8.609 1.00 0.00 C ATOM 1256 OD1 ASP A 82 -16.911 -2.037 8.018 1.00 0.00 O ATOM 1257 OD2 ASP A 82 -15.454 -3.405 8.934 1.00 0.00 O ATOM 0 H ASP A 82 -15.718 1.106 9.778 1.00 0.00 H new ATOM 0 HA ASP A 82 -15.604 -1.456 10.955 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.255 -0.214 8.371 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.916 -1.310 8.650 1.00 0.00 H new ATOM 1262 N ALA A 83 -12.693 0.086 10.600 1.00 0.00 N ATOM 1263 CA ALA A 83 -11.317 0.110 11.080 1.00 0.00 C ATOM 1264 C ALA A 83 -11.267 0.265 12.596 1.00 0.00 C ATOM 1265 O ALA A 83 -10.383 -0.280 13.258 1.00 0.00 O ATOM 1266 CB ALA A 83 -10.542 1.233 10.407 1.00 0.00 C ATOM 0 H ALA A 83 -12.918 0.820 9.928 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.852 -0.842 10.823 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.516 1.239 10.775 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.539 1.078 9.328 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.015 2.188 10.635 1.00 0.00 H new ATOM 1272 N LEU A 84 -12.221 1.012 13.141 1.00 0.00 N ATOM 1273 CA LEU A 84 -12.286 1.240 14.580 1.00 0.00 C ATOM 1274 C LEU A 84 -12.626 -0.049 15.321 1.00 0.00 C ATOM 1275 O LEU A 84 -12.008 -0.378 16.334 1.00 0.00 O ATOM 1276 CB LEU A 84 -13.326 2.315 14.900 1.00 0.00 C ATOM 1277 CG LEU A 84 -13.016 3.214 16.098 1.00 0.00 C ATOM 1278 CD1 LEU A 84 -11.724 3.983 15.869 1.00 0.00 C ATOM 1279 CD2 LEU A 84 -14.170 4.171 16.359 1.00 0.00 C ATOM 0 H LEU A 84 -12.960 1.470 12.608 1.00 0.00 H new ATOM 0 HA LEU A 84 -11.306 1.581 14.913 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -13.449 2.946 14.020 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -14.283 1.825 15.077 1.00 0.00 H new ATOM 0 HG LEU A 84 -12.887 2.583 16.978 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.520 4.617 16.732 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -10.902 3.281 15.733 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.823 4.603 14.978 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -13.932 4.803 17.215 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -14.331 4.796 15.480 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -15.075 3.601 16.569 1.00 0.00 H new ATOM 1291 N LYS A 85 -13.612 -0.778 14.808 1.00 0.00 N ATOM 1292 CA LYS A 85 -14.033 -2.033 15.417 1.00 0.00 C ATOM 1293 C LYS A 85 -12.895 -3.049 15.412 1.00 0.00 C ATOM 1294 O LYS A 85 -12.729 -3.814 16.362 1.00 0.00 O ATOM 1295 CB LYS A 85 -15.243 -2.604 14.674 1.00 0.00 C ATOM 1296 CG LYS A 85 -15.572 -4.036 15.057 1.00 0.00 C ATOM 1297 CD LYS A 85 -16.966 -4.430 14.599 1.00 0.00 C ATOM 1298 CE LYS A 85 -16.917 -5.490 13.510 1.00 0.00 C ATOM 1299 NZ LYS A 85 -18.062 -5.369 12.565 1.00 0.00 N ATOM 0 H LYS A 85 -14.135 -0.520 13.971 1.00 0.00 H new ATOM 0 HA LYS A 85 -14.312 -1.830 16.451 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -16.111 -1.975 14.873 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -15.055 -2.558 13.601 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -14.839 -4.710 14.614 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -15.497 -4.151 16.138 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -17.536 -4.806 15.448 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -17.490 -3.550 14.228 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -15.981 -5.401 12.959 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -16.926 -6.480 13.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -17.992 -6.109 11.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -18.955 -5.479 13.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -18.039 -4.434 12.110 1.00 0.00 H new ATOM 1313 N GLN A 86 -12.113 -3.050 14.337 1.00 0.00 N ATOM 1314 CA GLN A 86 -10.991 -3.972 14.209 1.00 0.00 C ATOM 1315 C GLN A 86 -9.860 -3.587 15.158 1.00 0.00 C ATOM 1316 O GLN A 86 -9.247 -4.446 15.790 1.00 0.00 O ATOM 1317 CB GLN A 86 -10.480 -3.991 12.768 1.00 0.00 C ATOM 1318 CG GLN A 86 -11.513 -4.471 11.762 1.00 0.00 C ATOM 1319 CD GLN A 86 -10.951 -4.589 10.359 1.00 0.00 C ATOM 1320 OE1 GLN A 86 -9.740 -4.704 10.170 1.00 0.00 O ATOM 1321 NE2 GLN A 86 -11.831 -4.561 9.364 1.00 0.00 N ATOM 0 H GLN A 86 -12.236 -2.423 13.542 1.00 0.00 H new ATOM 0 HA GLN A 86 -11.341 -4.970 14.475 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.156 -2.987 12.493 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.603 -4.635 12.711 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.899 -5.441 12.077 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.356 -3.780 11.755 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.826 -4.464 9.566 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.511 -4.636 8.398 1.00 0.00 H new ATOM 1330 N GLY A 87 -9.589 -2.289 15.251 1.00 0.00 N ATOM 1331 CA GLY A 87 -8.532 -1.813 16.124 1.00 0.00 C ATOM 1332 C GLY A 87 -7.255 -1.499 15.370 1.00 0.00 C ATOM 1333 O GLY A 87 -6.155 -1.683 15.892 1.00 0.00 O ATOM 0 H GLY A 87 -10.082 -1.559 14.738 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.871 -0.918 16.646 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.326 -2.567 16.884 1.00 0.00 H new ATOM 1337 N LYS A 88 -7.398 -1.026 14.137 1.00 0.00 N ATOM 1338 CA LYS A 88 -6.248 -0.687 13.308 1.00 0.00 C ATOM 1339 C LYS A 88 -5.817 0.758 13.541 1.00 0.00 C ATOM 1340 O LYS A 88 -4.631 1.081 13.468 1.00 0.00 O ATOM 1341 CB LYS A 88 -6.578 -0.899 11.829 1.00 0.00 C ATOM 1342 CG LYS A 88 -7.308 -2.202 11.550 1.00 0.00 C ATOM 1343 CD LYS A 88 -7.428 -2.465 10.058 1.00 0.00 C ATOM 1344 CE LYS A 88 -6.902 -3.845 9.692 1.00 0.00 C ATOM 1345 NZ LYS A 88 -7.177 -4.183 8.268 1.00 0.00 N ATOM 0 H LYS A 88 -8.301 -0.869 13.689 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.424 -1.344 13.588 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.189 -0.067 11.479 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.653 -0.880 11.252 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.776 -3.027 12.024 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -8.302 -2.166 11.995 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -8.472 -2.380 9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.873 -1.705 9.508 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.828 -3.884 9.874 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -7.362 -4.592 10.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.803 -5.131 8.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -8.203 -4.170 8.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.717 -3.484 7.650 1.00 0.00 H new ATOM 1359 N ILE A 89 -6.786 1.622 13.822 1.00 0.00 N ATOM 1360 CA ILE A 89 -6.505 3.031 14.068 1.00 0.00 C ATOM 1361 C ILE A 89 -6.500 3.338 15.562 1.00 0.00 C ATOM 1362 O ILE A 89 -7.536 3.273 16.222 1.00 0.00 O ATOM 1363 CB ILE A 89 -7.536 3.940 13.373 1.00 0.00 C ATOM 1364 CG1 ILE A 89 -7.966 3.331 12.037 1.00 0.00 C ATOM 1365 CG2 ILE A 89 -6.959 5.332 13.165 1.00 0.00 C ATOM 1366 CD1 ILE A 89 -8.929 4.200 11.259 1.00 0.00 C ATOM 0 H ILE A 89 -7.773 1.371 13.885 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.517 3.233 13.654 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.415 4.024 14.013 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.080 3.149 11.428 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.431 2.362 12.221 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -7.699 5.963 12.673 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.697 5.765 14.130 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.067 5.267 12.543 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.191 3.706 10.323 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.831 4.361 11.849 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.460 5.160 11.043 1.00 0.00 H new ATOM 1378 N GLU A 90 -5.326 3.673 16.087 1.00 0.00 N ATOM 1379 CA GLU A 90 -5.186 3.991 17.503 1.00 0.00 C ATOM 1380 C GLU A 90 -5.345 5.490 17.743 1.00 0.00 C ATOM 1381 O GLU A 90 -5.000 6.307 16.888 1.00 0.00 O ATOM 1382 CB GLU A 90 -3.825 3.522 18.022 1.00 0.00 C ATOM 1383 CG GLU A 90 -3.806 2.064 18.450 1.00 0.00 C ATOM 1384 CD GLU A 90 -2.491 1.380 18.134 1.00 0.00 C ATOM 1385 OE1 GLU A 90 -2.023 0.579 18.969 1.00 0.00 O ATOM 1386 OE2 GLU A 90 -1.929 1.646 17.051 1.00 0.00 O ATOM 0 H GLU A 90 -4.459 3.731 15.554 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.974 3.468 18.046 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.077 3.673 17.244 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.534 4.144 18.868 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.995 2.001 19.522 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.617 1.532 17.952 1.00 0.00 H new ATOM 1393 N LEU A 91 -5.870 5.844 18.911 1.00 0.00 N ATOM 1394 CA LEU A 91 -6.076 7.244 19.264 1.00 0.00 C ATOM 1395 C LEU A 91 -5.195 7.643 20.443 1.00 0.00 C ATOM 1396 O LEU A 91 -4.678 6.788 21.162 1.00 0.00 O ATOM 1397 CB LEU A 91 -7.547 7.494 19.604 1.00 0.00 C ATOM 1398 CG LEU A 91 -8.311 6.306 20.190 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -9.327 6.780 21.218 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -8.997 5.516 19.085 1.00 0.00 C ATOM 0 H LEU A 91 -6.161 5.181 19.629 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.800 7.854 18.404 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.600 8.320 20.313 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.059 7.818 18.698 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.598 5.650 20.689 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.861 5.921 21.624 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.812 7.302 22.025 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.037 7.457 20.743 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.536 4.674 19.520 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.698 6.162 18.557 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.249 5.145 18.385 1.00 0.00 H new ATOM 1412 N SER A 92 -5.030 8.948 20.637 1.00 0.00 N ATOM 1413 CA SER A 92 -4.210 9.461 21.728 1.00 0.00 C ATOM 1414 C SER A 92 -4.314 10.980 21.818 1.00 0.00 C ATOM 1415 O SER A 92 -4.412 11.668 20.803 1.00 0.00 O ATOM 1416 CB SER A 92 -2.750 9.049 21.534 1.00 0.00 C ATOM 1417 OG SER A 92 -2.479 7.813 22.174 1.00 0.00 O ATOM 0 H SER A 92 -5.453 9.669 20.053 1.00 0.00 H new ATOM 0 HA SER A 92 -4.580 9.033 22.660 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.531 8.967 20.470 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.094 9.822 21.936 1.00 0.00 H new ATOM 0 HG SER A 92 -3.020 7.106 21.763 1.00 0.00 H new ATOM 1423 N GLY A 93 -4.293 11.498 23.043 1.00 0.00 N ATOM 1424 CA GLY A 93 -4.386 12.932 23.244 1.00 0.00 C ATOM 1425 C GLY A 93 -5.801 13.385 23.544 1.00 0.00 C ATOM 1426 O GLY A 93 -6.322 13.137 24.631 1.00 0.00 O ATOM 0 H GLY A 93 -4.213 10.950 23.899 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.732 13.224 24.066 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.025 13.445 22.353 1.00 0.00 H new ATOM 1430 N ASP A 94 -6.424 14.052 22.579 1.00 0.00 N ATOM 1431 CA ASP A 94 -7.788 14.541 22.744 1.00 0.00 C ATOM 1432 C ASP A 94 -8.788 13.598 22.084 1.00 0.00 C ATOM 1433 O ASP A 94 -9.339 13.903 21.027 1.00 0.00 O ATOM 1434 CB ASP A 94 -7.924 15.945 22.152 1.00 0.00 C ATOM 1435 CG ASP A 94 -7.715 17.033 23.187 1.00 0.00 C ATOM 1436 OD1 ASP A 94 -6.684 16.992 23.891 1.00 0.00 O ATOM 1437 OD2 ASP A 94 -8.582 17.925 23.293 1.00 0.00 O ATOM 0 H ASP A 94 -6.006 14.267 21.674 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.006 14.582 23.811 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.199 16.069 21.348 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.914 16.055 21.709 1.00 0.00 H new ATOM 1442 N ALA A 95 -9.016 12.450 22.713 1.00 0.00 N ATOM 1443 CA ALA A 95 -9.950 11.462 22.187 1.00 0.00 C ATOM 1444 C ALA A 95 -11.240 12.124 21.716 1.00 0.00 C ATOM 1445 O ALA A 95 -11.832 11.711 20.718 1.00 0.00 O ATOM 1446 CB ALA A 95 -10.250 10.406 23.241 1.00 0.00 C ATOM 0 H ALA A 95 -8.566 12.181 23.588 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.485 10.979 21.327 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.949 9.675 22.835 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.325 9.905 23.527 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.691 10.881 24.117 1.00 0.00 H new ATOM 1452 N ASP A 96 -11.672 13.151 22.440 1.00 0.00 N ATOM 1453 CA ASP A 96 -12.893 13.870 22.095 1.00 0.00 C ATOM 1454 C ASP A 96 -12.877 14.295 20.630 1.00 0.00 C ATOM 1455 O ASP A 96 -13.859 14.111 19.909 1.00 0.00 O ATOM 1456 CB ASP A 96 -13.059 15.096 22.994 1.00 0.00 C ATOM 1457 CG ASP A 96 -14.437 15.172 23.620 1.00 0.00 C ATOM 1458 OD1 ASP A 96 -14.925 14.131 24.109 1.00 0.00 O ATOM 1459 OD2 ASP A 96 -15.028 16.272 23.622 1.00 0.00 O ATOM 0 H ASP A 96 -11.195 13.504 23.269 1.00 0.00 H new ATOM 0 HA ASP A 96 -13.738 13.199 22.250 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -12.306 15.070 23.782 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -12.878 15.998 22.410 1.00 0.00 H new ATOM 1464 N LEU A 97 -11.759 14.866 20.197 1.00 0.00 N ATOM 1465 CA LEU A 97 -11.616 15.320 18.818 1.00 0.00 C ATOM 1466 C LEU A 97 -11.635 14.139 17.852 1.00 0.00 C ATOM 1467 O LEU A 97 -12.444 14.096 16.926 1.00 0.00 O ATOM 1468 CB LEU A 97 -10.315 16.108 18.652 1.00 0.00 C ATOM 1469 CG LEU A 97 -10.440 17.631 18.722 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -9.808 18.159 20.000 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -9.799 18.275 17.502 1.00 0.00 C ATOM 0 H LEU A 97 -10.938 15.026 20.781 1.00 0.00 H new ATOM 0 HA LEU A 97 -12.460 15.970 18.586 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.617 15.785 19.424 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.873 15.843 17.691 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.499 17.890 18.730 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.906 19.244 20.033 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.312 17.723 20.862 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.752 17.889 20.022 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.897 19.359 17.569 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.743 18.008 17.462 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.297 17.920 16.600 1.00 0.00 H new ATOM 1483 N ALA A 98 -10.739 13.183 18.076 1.00 0.00 N ATOM 1484 CA ALA A 98 -10.656 12.001 17.228 1.00 0.00 C ATOM 1485 C ALA A 98 -12.006 11.297 17.134 1.00 0.00 C ATOM 1486 O ALA A 98 -12.307 10.643 16.136 1.00 0.00 O ATOM 1487 CB ALA A 98 -9.596 11.046 17.757 1.00 0.00 C ATOM 0 H ALA A 98 -10.061 13.204 18.838 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.373 12.322 16.226 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.545 10.167 17.114 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.628 11.546 17.766 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.856 10.739 18.770 1.00 0.00 H new ATOM 1493 N ALA A 99 -12.813 11.433 18.181 1.00 0.00 N ATOM 1494 CA ALA A 99 -14.131 10.811 18.215 1.00 0.00 C ATOM 1495 C ALA A 99 -14.992 11.285 17.050 1.00 0.00 C ATOM 1496 O ALA A 99 -15.739 10.505 16.458 1.00 0.00 O ATOM 1497 CB ALA A 99 -14.820 11.108 19.539 1.00 0.00 C ATOM 0 H ALA A 99 -12.577 11.968 19.017 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.000 9.733 18.120 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -15.803 10.638 19.551 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.219 10.714 20.358 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -14.932 12.186 19.657 1.00 0.00 H new ATOM 1503 N LYS A 100 -14.884 12.568 16.724 1.00 0.00 N ATOM 1504 CA LYS A 100 -15.653 13.147 15.628 1.00 0.00 C ATOM 1505 C LYS A 100 -15.465 12.341 14.346 1.00 0.00 C ATOM 1506 O LYS A 100 -16.354 12.293 13.495 1.00 0.00 O ATOM 1507 CB LYS A 100 -15.233 14.600 15.395 1.00 0.00 C ATOM 1508 CG LYS A 100 -15.917 15.587 16.325 1.00 0.00 C ATOM 1509 CD LYS A 100 -14.964 16.101 17.391 1.00 0.00 C ATOM 1510 CE LYS A 100 -15.705 16.494 18.660 1.00 0.00 C ATOM 1511 NZ LYS A 100 -16.046 17.944 18.677 1.00 0.00 N ATOM 0 H LYS A 100 -14.271 13.228 17.203 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.707 13.119 15.903 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.154 14.682 15.522 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -15.454 14.872 14.363 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.303 16.426 15.746 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.772 15.107 16.801 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -14.227 15.332 17.622 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -14.417 16.962 17.007 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -16.618 15.905 18.744 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -15.091 16.255 19.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.550 18.172 19.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -15.173 18.507 18.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -16.653 18.167 17.863 1.00 0.00 H new ATOM 1525 N LEU A 101 -14.304 11.709 14.215 1.00 0.00 N ATOM 1526 CA LEU A 101 -14.000 10.904 13.038 1.00 0.00 C ATOM 1527 C LEU A 101 -14.833 9.626 13.023 1.00 0.00 C ATOM 1528 O LEU A 101 -15.245 9.154 11.963 1.00 0.00 O ATOM 1529 CB LEU A 101 -12.511 10.556 13.004 1.00 0.00 C ATOM 1530 CG LEU A 101 -12.052 9.682 11.836 1.00 0.00 C ATOM 1531 CD1 LEU A 101 -11.433 10.537 10.741 1.00 0.00 C ATOM 1532 CD2 LEU A 101 -11.064 8.628 12.314 1.00 0.00 C ATOM 0 H LEU A 101 -13.558 11.739 14.910 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.250 11.490 12.153 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -11.942 11.485 12.982 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -12.256 10.048 13.934 1.00 0.00 H new ATOM 0 HG LEU A 101 -12.924 9.174 11.423 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -11.112 9.898 9.918 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -12.170 11.253 10.378 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.572 11.073 11.141 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -10.748 8.016 11.469 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -10.194 9.117 12.753 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -11.541 7.995 13.063 1.00 0.00 H new ATOM 1544 N ALA A 102 -15.078 9.071 14.205 1.00 0.00 N ATOM 1545 CA ALA A 102 -15.865 7.851 14.328 1.00 0.00 C ATOM 1546 C ALA A 102 -17.344 8.124 14.076 1.00 0.00 C ATOM 1547 O ALA A 102 -18.064 7.266 13.566 1.00 0.00 O ATOM 1548 CB ALA A 102 -15.668 7.232 15.704 1.00 0.00 C ATOM 0 H ALA A 102 -14.742 9.447 15.092 1.00 0.00 H new ATOM 0 HA ALA A 102 -15.518 7.147 13.572 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -16.262 6.321 15.782 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.615 6.992 15.847 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -15.986 7.939 16.470 1.00 0.00 H new