USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 855 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 73 TYR OH : rot -140:sc= -0.163 USER MOD Set 1.2: A 98 LYS NZ :NH3+ 137:sc= 0.00539 (180deg=0) USER MOD Set 2.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 53 SER OG : rot -88:sc= -0.274 USER MOD Set 3.1: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 83 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Set 4.1: A 30 GLN : amide:sc= -2.05 X(o=-2,f=-2.3!) USER MOD Set 4.2: A 33 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 151:sc= -0.273 (180deg=-1.15!) USER MOD Single : A 19 SER OG : rot 118:sc= 1.21 USER MOD Single : A 20 ASN : amide:sc= -0.0316 K(o=-0.032,f=-2.3!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.972 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0186 USER MOD Single : A 46 ASN : amide:sc= -1.42 X(o=-1.4,f=-1.3) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 109:sc= 0.0793 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.207 USER MOD Single : A 65 SER OG : rot 83:sc= 0.594 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc=-0.00139 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 27:sc= 0.396 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.25) USER MOD Single : A 90 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0586) USER MOD Single : A 93 MET CE :methyl -176:sc= -4.25! (180deg=-4.55!) USER MOD Single : A 95 TYR OH : rot -15:sc= -0.568 USER MOD Single : A 96 HIS : no HD1:sc= -0.645 X(o=-0.64,f=-0.69) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.496 K(o=-0.5,f=0.9) USER MOD Single : A 105 SER OG : rot -56:sc= 0.00896 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 60:sc= -1.63 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot -129:sc= -0.0487 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 10.098 -24.995 -6.319 1.00 0.00 N ATOM 67 CA ASP A 8 10.029 -24.057 -5.204 1.00 0.00 C ATOM 68 C ASP A 8 10.868 -22.814 -5.487 1.00 0.00 C ATOM 69 O ASP A 8 10.469 -21.697 -5.159 1.00 0.00 O ATOM 70 CB ASP A 8 10.506 -24.727 -3.915 1.00 0.00 C ATOM 71 CG ASP A 8 9.737 -25.996 -3.604 1.00 0.00 C ATOM 72 OD1 ASP A 8 8.504 -25.914 -3.422 1.00 0.00 O ATOM 73 OD2 ASP A 8 10.368 -27.072 -3.542 1.00 0.00 O ATOM 0 HA ASP A 8 8.990 -23.752 -5.082 1.00 0.00 H new ATOM 0 HB2 ASP A 8 11.567 -24.961 -4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.400 -24.029 -3.085 1.00 0.00 H new ATOM 78 N GLU A 9 12.031 -23.018 -6.097 1.00 0.00 N ATOM 79 CA GLU A 9 12.927 -21.914 -6.421 1.00 0.00 C ATOM 80 C GLU A 9 12.145 -20.719 -6.958 1.00 0.00 C ATOM 81 O GLU A 9 12.461 -19.570 -6.652 1.00 0.00 O ATOM 82 CB GLU A 9 13.969 -22.359 -7.449 1.00 0.00 C ATOM 83 CG GLU A 9 13.366 -22.962 -8.706 1.00 0.00 C ATOM 84 CD GLU A 9 14.418 -23.404 -9.704 1.00 0.00 C ATOM 85 OE1 GLU A 9 15.375 -22.637 -9.938 1.00 0.00 O ATOM 86 OE2 GLU A 9 14.284 -24.519 -10.251 1.00 0.00 O ATOM 0 H GLU A 9 12.375 -23.937 -6.377 1.00 0.00 H new ATOM 0 HA GLU A 9 13.436 -21.612 -5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.583 -21.502 -7.726 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.633 -23.090 -6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.747 -23.817 -8.433 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.709 -22.230 -9.176 1.00 0.00 H new ATOM 93 N GLU A 10 11.123 -21.000 -7.761 1.00 0.00 N ATOM 94 CA GLU A 10 10.296 -19.948 -8.341 1.00 0.00 C ATOM 95 C GLU A 10 9.545 -19.184 -7.255 1.00 0.00 C ATOM 96 O GLU A 10 9.510 -17.953 -7.256 1.00 0.00 O ATOM 97 CB GLU A 10 9.303 -20.543 -9.341 1.00 0.00 C ATOM 98 CG GLU A 10 9.920 -20.870 -10.691 1.00 0.00 C ATOM 99 CD GLU A 10 10.469 -22.282 -10.755 1.00 0.00 C ATOM 100 OE1 GLU A 10 9.962 -23.149 -10.012 1.00 0.00 O ATOM 101 OE2 GLU A 10 11.405 -22.520 -11.546 1.00 0.00 O ATOM 0 H GLU A 10 10.848 -21.946 -8.024 1.00 0.00 H new ATOM 0 HA GLU A 10 10.953 -19.251 -8.862 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.874 -21.451 -8.918 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.482 -19.841 -9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.169 -20.741 -11.470 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.722 -20.162 -10.901 1.00 0.00 H new ATOM 108 N THR A 11 8.944 -19.923 -6.328 1.00 0.00 N ATOM 109 CA THR A 11 8.192 -19.317 -5.237 1.00 0.00 C ATOM 110 C THR A 11 9.081 -18.411 -4.393 1.00 0.00 C ATOM 111 O THR A 11 8.653 -17.346 -3.946 1.00 0.00 O ATOM 112 CB THR A 11 7.560 -20.388 -4.327 1.00 0.00 C ATOM 113 OG1 THR A 11 6.605 -21.157 -5.067 1.00 0.00 O ATOM 114 CG2 THR A 11 6.881 -19.746 -3.127 1.00 0.00 C ATOM 0 H THR A 11 8.964 -20.943 -6.311 1.00 0.00 H new ATOM 0 HA THR A 11 7.399 -18.723 -5.692 1.00 0.00 H new ATOM 0 HB THR A 11 8.354 -21.043 -3.968 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.209 -21.837 -4.483 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.442 -20.522 -2.499 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.616 -19.185 -2.550 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.097 -19.071 -3.471 1.00 0.00 H new ATOM 122 N LYS A 12 10.320 -18.838 -4.179 1.00 0.00 N ATOM 123 CA LYS A 12 11.272 -18.064 -3.391 1.00 0.00 C ATOM 124 C LYS A 12 11.436 -16.660 -3.962 1.00 0.00 C ATOM 125 O LYS A 12 11.324 -15.669 -3.241 1.00 0.00 O ATOM 126 CB LYS A 12 12.628 -18.773 -3.352 1.00 0.00 C ATOM 127 CG LYS A 12 12.588 -20.126 -2.664 1.00 0.00 C ATOM 128 CD LYS A 12 12.913 -20.011 -1.185 1.00 0.00 C ATOM 129 CE LYS A 12 11.657 -19.815 -0.351 1.00 0.00 C ATOM 130 NZ LYS A 12 10.682 -20.923 -0.549 1.00 0.00 N ATOM 0 H LYS A 12 10.689 -19.717 -4.541 1.00 0.00 H new ATOM 0 HA LYS A 12 10.883 -17.981 -2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.989 -18.904 -4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.347 -18.135 -2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.599 -20.568 -2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.300 -20.799 -3.142 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.433 -20.910 -0.855 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.592 -19.173 -1.025 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.927 -19.753 0.703 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.189 -18.867 -0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.117 -21.047 0.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.053 -20.694 -1.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.195 -21.804 -0.756 1.00 0.00 H new ATOM 144 N ALA A 13 11.702 -16.582 -5.262 1.00 0.00 N ATOM 145 CA ALA A 13 11.878 -15.298 -5.930 1.00 0.00 C ATOM 146 C ALA A 13 10.665 -14.399 -5.720 1.00 0.00 C ATOM 147 O ALA A 13 10.793 -13.177 -5.629 1.00 0.00 O ATOM 148 CB ALA A 13 12.131 -15.507 -7.416 1.00 0.00 C ATOM 0 H ALA A 13 11.800 -17.393 -5.873 1.00 0.00 H new ATOM 0 HA ALA A 13 12.744 -14.804 -5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.261 -14.540 -7.903 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.032 -16.105 -7.551 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.282 -16.026 -7.860 1.00 0.00 H new ATOM 154 N PHE A 14 9.487 -15.010 -5.643 1.00 0.00 N ATOM 155 CA PHE A 14 8.250 -14.263 -5.445 1.00 0.00 C ATOM 156 C PHE A 14 8.138 -13.768 -4.006 1.00 0.00 C ATOM 157 O PHE A 14 7.601 -12.691 -3.750 1.00 0.00 O ATOM 158 CB PHE A 14 7.042 -15.136 -5.791 1.00 0.00 C ATOM 159 CG PHE A 14 6.621 -15.034 -7.229 1.00 0.00 C ATOM 160 CD1 PHE A 14 6.367 -13.799 -7.804 1.00 0.00 C ATOM 161 CD2 PHE A 14 6.479 -16.172 -8.006 1.00 0.00 C ATOM 162 CE1 PHE A 14 5.979 -13.702 -9.127 1.00 0.00 C ATOM 163 CE2 PHE A 14 6.091 -16.082 -9.330 1.00 0.00 C ATOM 164 CZ PHE A 14 5.842 -14.845 -9.891 1.00 0.00 C ATOM 0 H PHE A 14 9.363 -16.020 -5.715 1.00 0.00 H new ATOM 0 HA PHE A 14 8.267 -13.398 -6.108 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.278 -16.175 -5.563 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.204 -14.852 -5.154 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.473 -12.902 -7.212 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.674 -17.142 -7.572 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.783 -12.734 -9.563 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.983 -16.977 -9.924 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.541 -14.771 -10.925 1.00 0.00 H new ATOM 174 N GLU A 15 8.650 -14.563 -3.071 1.00 0.00 N ATOM 175 CA GLU A 15 8.606 -14.206 -1.658 1.00 0.00 C ATOM 176 C GLU A 15 9.484 -12.991 -1.376 1.00 0.00 C ATOM 177 O GLU A 15 9.201 -12.203 -0.474 1.00 0.00 O ATOM 178 CB GLU A 15 9.058 -15.387 -0.797 1.00 0.00 C ATOM 179 CG GLU A 15 8.127 -16.585 -0.868 1.00 0.00 C ATOM 180 CD GLU A 15 8.261 -17.501 0.333 1.00 0.00 C ATOM 181 OE1 GLU A 15 7.867 -17.087 1.443 1.00 0.00 O ATOM 182 OE2 GLU A 15 8.760 -18.633 0.162 1.00 0.00 O ATOM 0 H GLU A 15 9.100 -15.457 -3.267 1.00 0.00 H new ATOM 0 HA GLU A 15 7.576 -13.954 -1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.056 -15.694 -1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.137 -15.060 0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.097 -16.236 -0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.337 -17.150 -1.776 1.00 0.00 H new ATOM 189 N ALA A 16 10.551 -12.846 -2.155 1.00 0.00 N ATOM 190 CA ALA A 16 11.471 -11.727 -1.991 1.00 0.00 C ATOM 191 C ALA A 16 11.090 -10.566 -2.903 1.00 0.00 C ATOM 192 O ALA A 16 11.171 -9.401 -2.510 1.00 0.00 O ATOM 193 CB ALA A 16 12.899 -12.172 -2.269 1.00 0.00 C ATOM 0 H ALA A 16 10.800 -13.490 -2.906 1.00 0.00 H new ATOM 0 HA ALA A 16 11.404 -11.382 -0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.575 -11.326 -2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.175 -12.964 -1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.972 -12.545 -3.291 1.00 0.00 H new ATOM 199 N LEU A 17 10.675 -10.889 -4.123 1.00 0.00 N ATOM 200 CA LEU A 17 10.283 -9.872 -5.093 1.00 0.00 C ATOM 201 C LEU A 17 9.009 -9.159 -4.648 1.00 0.00 C ATOM 202 O LEU A 17 8.988 -7.936 -4.505 1.00 0.00 O ATOM 203 CB LEU A 17 10.072 -10.506 -6.469 1.00 0.00 C ATOM 204 CG LEU A 17 9.217 -9.706 -7.452 1.00 0.00 C ATOM 205 CD1 LEU A 17 10.041 -8.608 -8.106 1.00 0.00 C ATOM 206 CD2 LEU A 17 8.616 -10.624 -8.507 1.00 0.00 C ATOM 0 H LEU A 17 10.601 -11.847 -4.464 1.00 0.00 H new ATOM 0 HA LEU A 17 11.086 -9.137 -5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.049 -10.676 -6.922 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.611 -11.484 -6.330 1.00 0.00 H new ATOM 0 HG LEU A 17 8.402 -9.240 -6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.415 -8.049 -8.802 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.422 -7.933 -7.339 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.877 -9.053 -8.646 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.011 -10.037 -9.198 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.416 -11.120 -9.057 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.990 -11.374 -8.023 1.00 0.00 H new ATOM 218 N LEU A 18 7.951 -9.932 -4.429 1.00 0.00 N ATOM 219 CA LEU A 18 6.674 -9.374 -3.997 1.00 0.00 C ATOM 220 C LEU A 18 6.848 -8.516 -2.749 1.00 0.00 C ATOM 221 O LEU A 18 6.052 -7.614 -2.488 1.00 0.00 O ATOM 222 CB LEU A 18 5.672 -10.497 -3.723 1.00 0.00 C ATOM 223 CG LEU A 18 5.222 -11.308 -4.939 1.00 0.00 C ATOM 224 CD1 LEU A 18 4.549 -12.599 -4.500 1.00 0.00 C ATOM 225 CD2 LEU A 18 4.285 -10.485 -5.811 1.00 0.00 C ATOM 0 H LEU A 18 7.952 -10.946 -4.543 1.00 0.00 H new ATOM 0 HA LEU A 18 6.292 -8.742 -4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.113 -11.181 -2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.789 -10.062 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 18 6.103 -11.564 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.235 -13.163 -5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.251 -13.195 -3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.677 -12.365 -3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.975 -11.078 -6.672 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.407 -10.198 -5.232 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.801 -9.589 -6.155 1.00 0.00 H new ATOM 237 N SER A 19 7.895 -8.802 -1.981 1.00 0.00 N ATOM 238 CA SER A 19 8.173 -8.058 -0.759 1.00 0.00 C ATOM 239 C SER A 19 9.324 -7.079 -0.969 1.00 0.00 C ATOM 240 O SER A 19 10.062 -6.763 -0.037 1.00 0.00 O ATOM 241 CB SER A 19 8.507 -9.018 0.384 1.00 0.00 C ATOM 242 OG SER A 19 7.720 -10.194 0.308 1.00 0.00 O ATOM 0 H SER A 19 8.565 -9.544 -2.184 1.00 0.00 H new ATOM 0 HA SER A 19 7.280 -7.491 -0.498 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.564 -9.281 0.345 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.336 -8.523 1.340 1.00 0.00 H new ATOM 0 HG SER A 19 8.304 -10.971 0.186 1.00 0.00 H new ATOM 248 N ASN A 20 9.469 -6.602 -2.201 1.00 0.00 N ATOM 249 CA ASN A 20 10.530 -5.659 -2.535 1.00 0.00 C ATOM 250 C ASN A 20 9.951 -4.366 -3.100 1.00 0.00 C ATOM 251 O ASN A 20 10.598 -3.677 -3.890 1.00 0.00 O ATOM 252 CB ASN A 20 11.496 -6.283 -3.545 1.00 0.00 C ATOM 253 CG ASN A 20 12.903 -5.733 -3.416 1.00 0.00 C ATOM 254 OD1 ASN A 20 13.211 -5.000 -2.475 1.00 0.00 O ATOM 255 ND2 ASN A 20 13.765 -6.084 -4.363 1.00 0.00 N ATOM 0 H ASN A 20 8.865 -6.853 -2.984 1.00 0.00 H new ATOM 0 HA ASN A 20 11.074 -5.423 -1.620 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.517 -7.364 -3.404 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.129 -6.101 -4.555 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.726 -5.744 -4.329 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.466 -6.693 -5.124 1.00 0.00 H new ATOM 262 N ILE A 21 8.730 -4.042 -2.689 1.00 0.00 N ATOM 263 CA ILE A 21 8.064 -2.831 -3.153 1.00 0.00 C ATOM 264 C ILE A 21 8.251 -1.687 -2.162 1.00 0.00 C ATOM 265 O ILE A 21 8.747 -1.887 -1.053 1.00 0.00 O ATOM 266 CB ILE A 21 6.558 -3.065 -3.372 1.00 0.00 C ATOM 267 CG1 ILE A 21 5.793 -2.868 -2.061 1.00 0.00 C ATOM 268 CG2 ILE A 21 6.314 -4.459 -3.930 1.00 0.00 C ATOM 269 CD1 ILE A 21 6.241 -3.798 -0.955 1.00 0.00 C ATOM 0 H ILE A 21 8.182 -4.601 -2.036 1.00 0.00 H new ATOM 0 HA ILE A 21 8.523 -2.563 -4.105 1.00 0.00 H new ATOM 0 HB ILE A 21 6.194 -2.336 -4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.915 -1.837 -1.730 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.729 -3.020 -2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.245 -4.609 -4.079 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.832 -4.565 -4.883 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.690 -5.203 -3.228 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.656 -3.603 -0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.093 -4.832 -1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.297 -3.630 -0.744 1.00 0.00 H new ATOM 281 N VAL A 22 7.848 -0.487 -2.568 1.00 0.00 N ATOM 282 CA VAL A 22 7.968 0.689 -1.715 1.00 0.00 C ATOM 283 C VAL A 22 6.612 1.101 -1.154 1.00 0.00 C ATOM 284 O VAL A 22 5.594 1.029 -1.843 1.00 0.00 O ATOM 285 CB VAL A 22 8.577 1.878 -2.481 1.00 0.00 C ATOM 286 CG1 VAL A 22 7.669 2.297 -3.627 1.00 0.00 C ATOM 287 CG2 VAL A 22 8.832 3.045 -1.538 1.00 0.00 C ATOM 0 H VAL A 22 7.435 -0.304 -3.483 1.00 0.00 H new ATOM 0 HA VAL A 22 8.631 0.418 -0.893 1.00 0.00 H new ATOM 0 HB VAL A 22 9.532 1.565 -2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.116 3.138 -4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.542 1.461 -4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.697 2.592 -3.232 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.262 3.876 -2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.891 3.360 -1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.525 2.736 -0.756 1.00 0.00 H new ATOM 297 N LYS A 23 6.605 1.535 0.102 1.00 0.00 N ATOM 298 CA LYS A 23 5.374 1.961 0.758 1.00 0.00 C ATOM 299 C LYS A 23 4.620 2.969 -0.104 1.00 0.00 C ATOM 300 O LYS A 23 5.212 3.806 -0.784 1.00 0.00 O ATOM 301 CB LYS A 23 5.687 2.575 2.124 1.00 0.00 C ATOM 302 CG LYS A 23 6.340 3.944 2.041 1.00 0.00 C ATOM 303 CD LYS A 23 6.463 4.587 3.412 1.00 0.00 C ATOM 304 CE LYS A 23 6.899 6.041 3.309 1.00 0.00 C ATOM 305 NZ LYS A 23 6.661 6.783 4.578 1.00 0.00 N ATOM 0 H LYS A 23 7.438 1.601 0.686 1.00 0.00 H new ATOM 0 HA LYS A 23 4.742 1.084 0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.763 2.657 2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.344 1.901 2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.329 3.850 1.592 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.753 4.589 1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.505 4.529 3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.184 4.032 4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.958 6.085 3.056 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.357 6.526 2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.971 7.769 4.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.647 6.763 4.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.199 6.336 5.348 1.00 0.00 H new ATOM 319 N PRO A 24 3.281 2.889 -0.074 1.00 0.00 N ATOM 320 CA PRO A 24 2.417 3.788 -0.845 1.00 0.00 C ATOM 321 C PRO A 24 2.442 5.216 -0.310 1.00 0.00 C ATOM 322 O PRO A 24 2.540 5.436 0.898 1.00 0.00 O ATOM 323 CB PRO A 24 1.025 3.176 -0.672 1.00 0.00 C ATOM 324 CG PRO A 24 1.097 2.426 0.613 1.00 0.00 C ATOM 325 CD PRO A 24 2.508 1.916 0.716 1.00 0.00 C ATOM 0 HA PRO A 24 2.736 3.869 -1.884 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.255 3.947 -0.638 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.777 2.515 -1.503 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.853 3.072 1.456 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.383 1.603 0.625 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.847 1.879 1.751 1.00 0.00 H new ATOM 0 HD3 PRO A 24 2.601 0.907 0.314 1.00 0.00 H new ATOM 333 N VAL A 25 2.352 6.184 -1.216 1.00 0.00 N ATOM 334 CA VAL A 25 2.362 7.591 -0.835 1.00 0.00 C ATOM 335 C VAL A 25 0.966 8.197 -0.929 1.00 0.00 C ATOM 336 O VAL A 25 0.305 8.100 -1.963 1.00 0.00 O ATOM 337 CB VAL A 25 3.324 8.406 -1.721 1.00 0.00 C ATOM 338 CG1 VAL A 25 3.190 9.892 -1.428 1.00 0.00 C ATOM 339 CG2 VAL A 25 4.758 7.941 -1.516 1.00 0.00 C ATOM 0 H VAL A 25 2.271 6.019 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 25 2.705 7.636 0.199 1.00 0.00 H new ATOM 0 HB VAL A 25 3.058 8.241 -2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.877 10.451 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.168 10.212 -1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.429 10.079 -0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.424 8.527 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.038 8.076 -0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.840 6.887 -1.781 1.00 0.00 H new ATOM 349 N ALA A 26 0.524 8.822 0.157 1.00 0.00 N ATOM 350 CA ALA A 26 -0.793 9.446 0.196 1.00 0.00 C ATOM 351 C ALA A 26 -0.756 10.845 -0.410 1.00 0.00 C ATOM 352 O ALA A 26 0.077 11.671 -0.037 1.00 0.00 O ATOM 353 CB ALA A 26 -1.309 9.501 1.626 1.00 0.00 C ATOM 0 H ALA A 26 1.058 8.910 1.021 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.473 8.838 -0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.293 9.969 1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.383 8.489 2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.621 10.084 2.239 1.00 0.00 H new ATOM 359 N SER A 27 -1.664 11.104 -1.346 1.00 0.00 N ATOM 360 CA SER A 27 -1.731 12.402 -2.006 1.00 0.00 C ATOM 361 C SER A 27 -3.180 12.805 -2.265 1.00 0.00 C ATOM 362 O SER A 27 -4.106 12.041 -1.993 1.00 0.00 O ATOM 363 CB SER A 27 -0.956 12.369 -3.325 1.00 0.00 C ATOM 364 OG SER A 27 0.388 11.973 -3.116 1.00 0.00 O ATOM 0 H SER A 27 -2.363 10.432 -1.664 1.00 0.00 H new ATOM 0 HA SER A 27 -1.278 13.141 -1.345 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.439 11.679 -4.017 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.980 13.355 -3.790 1.00 0.00 H new ATOM 0 HG SER A 27 0.862 11.958 -3.974 1.00 0.00 H new ATOM 370 N ASP A 28 -3.367 14.010 -2.792 1.00 0.00 N ATOM 371 CA ASP A 28 -4.702 14.516 -3.089 1.00 0.00 C ATOM 372 C ASP A 28 -5.718 13.994 -2.079 1.00 0.00 C ATOM 373 O ASP A 28 -6.833 13.617 -2.443 1.00 0.00 O ATOM 374 CB ASP A 28 -5.119 14.114 -4.505 1.00 0.00 C ATOM 375 CG ASP A 28 -4.698 15.135 -5.544 1.00 0.00 C ATOM 376 OD1 ASP A 28 -4.474 16.305 -5.170 1.00 0.00 O ATOM 377 OD2 ASP A 28 -4.593 14.764 -6.731 1.00 0.00 O ATOM 0 H ASP A 28 -2.611 14.655 -3.022 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.675 15.604 -3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.678 13.148 -4.750 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.201 13.989 -4.540 1.00 0.00 H new ATOM 382 N ILE A 29 -5.326 13.973 -0.810 1.00 0.00 N ATOM 383 CA ILE A 29 -6.203 13.497 0.253 1.00 0.00 C ATOM 384 C ILE A 29 -7.440 14.379 0.381 1.00 0.00 C ATOM 385 O ILE A 29 -7.362 15.599 0.241 1.00 0.00 O ATOM 386 CB ILE A 29 -5.474 13.455 1.609 1.00 0.00 C ATOM 387 CG1 ILE A 29 -4.281 12.499 1.542 1.00 0.00 C ATOM 388 CG2 ILE A 29 -6.433 13.039 2.714 1.00 0.00 C ATOM 389 CD1 ILE A 29 -3.142 12.888 2.457 1.00 0.00 C ATOM 0 H ILE A 29 -4.407 14.280 -0.492 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.507 12.486 -0.018 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.102 14.454 1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.616 11.494 1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.915 12.460 0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.903 13.014 3.666 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.252 13.756 2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.833 12.049 2.495 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.332 12.166 2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.780 13.880 2.186 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.492 12.899 3.489 1.00 0.00 H new ATOM 401 N GLN A 30 -8.582 13.752 0.649 1.00 0.00 N ATOM 402 CA GLN A 30 -9.836 14.481 0.797 1.00 0.00 C ATOM 403 C GLN A 30 -10.549 14.081 2.085 1.00 0.00 C ATOM 404 O GLN A 30 -10.014 13.321 2.891 1.00 0.00 O ATOM 405 CB GLN A 30 -10.746 14.221 -0.405 1.00 0.00 C ATOM 406 CG GLN A 30 -10.510 15.176 -1.564 1.00 0.00 C ATOM 407 CD GLN A 30 -9.518 14.634 -2.574 1.00 0.00 C ATOM 408 OE1 GLN A 30 -8.509 15.272 -2.875 1.00 0.00 O ATOM 409 NE2 GLN A 30 -9.800 13.449 -3.104 1.00 0.00 N ATOM 0 H GLN A 30 -8.664 12.742 0.768 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.605 15.545 0.846 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.594 13.199 -0.751 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.786 14.299 -0.087 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.458 15.377 -2.063 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.146 16.128 -1.177 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.648 12.955 -2.826 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.169 13.034 -3.789 1.00 0.00 H new ATOM 418 N ALA A 31 -11.758 14.600 2.271 1.00 0.00 N ATOM 419 CA ALA A 31 -12.544 14.296 3.460 1.00 0.00 C ATOM 420 C ALA A 31 -12.374 12.839 3.874 1.00 0.00 C ATOM 421 O ALA A 31 -11.699 12.538 4.858 1.00 0.00 O ATOM 422 CB ALA A 31 -14.013 14.610 3.216 1.00 0.00 C ATOM 0 H ALA A 31 -12.214 15.233 1.614 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.180 14.922 4.275 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.588 14.378 4.112 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.124 15.668 2.977 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.380 14.009 2.384 1.00 0.00 H new ATOM 428 N ARG A 32 -12.990 11.938 3.115 1.00 0.00 N ATOM 429 CA ARG A 32 -12.908 10.511 3.405 1.00 0.00 C ATOM 430 C ARG A 32 -12.113 9.782 2.325 1.00 0.00 C ATOM 431 O ARG A 32 -11.528 8.728 2.573 1.00 0.00 O ATOM 432 CB ARG A 32 -14.310 9.909 3.515 1.00 0.00 C ATOM 433 CG ARG A 32 -15.310 10.819 4.209 1.00 0.00 C ATOM 434 CD ARG A 32 -16.721 10.597 3.688 1.00 0.00 C ATOM 435 NE ARG A 32 -17.029 11.465 2.554 1.00 0.00 N ATOM 436 CZ ARG A 32 -18.265 11.795 2.196 1.00 0.00 C ATOM 437 NH1 ARG A 32 -19.303 11.334 2.880 1.00 0.00 N ATOM 438 NH2 ARG A 32 -18.464 12.590 1.153 1.00 0.00 N ATOM 0 H ARG A 32 -13.551 12.171 2.295 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.392 10.389 4.357 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.676 9.677 2.515 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.250 8.967 4.060 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.285 10.637 5.283 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -15.024 11.860 4.056 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -16.837 9.555 3.389 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -17.436 10.780 4.490 1.00 0.00 H new ATOM 0 HE ARG A 32 -16.253 11.838 2.007 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -19.154 10.724 3.684 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -20.251 11.589 2.602 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -17.668 12.948 0.626 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.413 12.843 0.878 1.00 0.00 H new ATOM 452 N THR A 33 -12.097 10.352 1.123 1.00 0.00 N ATOM 453 CA THR A 33 -11.377 9.756 0.005 1.00 0.00 C ATOM 454 C THR A 33 -9.971 10.333 -0.113 1.00 0.00 C ATOM 455 O THR A 33 -9.726 11.479 0.262 1.00 0.00 O ATOM 456 CB THR A 33 -12.123 9.976 -1.325 1.00 0.00 C ATOM 457 OG1 THR A 33 -12.590 11.327 -1.406 1.00 0.00 O ATOM 458 CG2 THR A 33 -13.298 9.019 -1.451 1.00 0.00 C ATOM 0 H THR A 33 -12.575 11.225 0.900 1.00 0.00 H new ATOM 0 HA THR A 33 -11.313 8.686 0.204 1.00 0.00 H new ATOM 0 HB THR A 33 -11.429 9.782 -2.143 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.062 11.460 -2.255 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.809 9.193 -2.398 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.936 7.992 -1.418 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.993 9.185 -0.628 1.00 0.00 H new ATOM 466 N VAL A 34 -9.049 9.531 -0.637 1.00 0.00 N ATOM 467 CA VAL A 34 -7.667 9.962 -0.806 1.00 0.00 C ATOM 468 C VAL A 34 -7.043 9.333 -2.046 1.00 0.00 C ATOM 469 O VAL A 34 -7.669 8.520 -2.726 1.00 0.00 O ATOM 470 CB VAL A 34 -6.812 9.603 0.424 1.00 0.00 C ATOM 471 CG1 VAL A 34 -7.556 9.940 1.708 1.00 0.00 C ATOM 472 CG2 VAL A 34 -6.426 8.132 0.392 1.00 0.00 C ATOM 0 H VAL A 34 -9.235 8.579 -0.952 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.686 11.046 -0.922 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.898 10.196 0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.937 9.680 2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.778 11.007 1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.487 9.375 1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.822 7.895 1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.327 7.519 0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.851 7.926 -0.511 1.00 0.00 H new ATOM 482 N VAL A 35 -5.803 9.714 -2.336 1.00 0.00 N ATOM 483 CA VAL A 35 -5.091 9.186 -3.494 1.00 0.00 C ATOM 484 C VAL A 35 -3.837 8.430 -3.071 1.00 0.00 C ATOM 485 O VAL A 35 -2.834 9.033 -2.688 1.00 0.00 O ATOM 486 CB VAL A 35 -4.695 10.310 -4.470 1.00 0.00 C ATOM 487 CG1 VAL A 35 -3.876 9.752 -5.624 1.00 0.00 C ATOM 488 CG2 VAL A 35 -5.932 11.030 -4.983 1.00 0.00 C ATOM 0 H VAL A 35 -5.270 10.387 -1.785 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.772 8.500 -3.998 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.078 11.032 -3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.606 10.561 -6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.970 9.286 -5.236 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.464 9.009 -6.162 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.634 11.821 -5.671 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.576 10.321 -5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.474 11.465 -4.143 1.00 0.00 H new ATOM 498 N LEU A 36 -3.900 7.105 -3.143 1.00 0.00 N ATOM 499 CA LEU A 36 -2.768 6.264 -2.768 1.00 0.00 C ATOM 500 C LEU A 36 -2.005 5.796 -4.003 1.00 0.00 C ATOM 501 O LEU A 36 -2.525 5.032 -4.816 1.00 0.00 O ATOM 502 CB LEU A 36 -3.250 5.055 -1.964 1.00 0.00 C ATOM 503 CG LEU A 36 -2.195 4.354 -1.108 1.00 0.00 C ATOM 504 CD1 LEU A 36 -1.621 5.313 -0.076 1.00 0.00 C ATOM 505 CD2 LEU A 36 -2.787 3.128 -0.429 1.00 0.00 C ATOM 0 H LEU A 36 -4.722 6.590 -3.457 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.094 6.858 -2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.062 5.378 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.669 4.326 -2.658 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.385 4.027 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.872 4.796 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.159 6.160 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.421 5.671 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.022 2.642 0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.616 3.431 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.148 2.432 -1.186 1.00 0.00 H new ATOM 517 N THR A 37 -0.765 6.258 -4.136 1.00 0.00 N ATOM 518 CA THR A 37 0.071 5.886 -5.270 1.00 0.00 C ATOM 519 C THR A 37 1.338 5.174 -4.810 1.00 0.00 C ATOM 520 O THR A 37 2.076 5.684 -3.967 1.00 0.00 O ATOM 521 CB THR A 37 0.464 7.119 -6.107 1.00 0.00 C ATOM 522 OG1 THR A 37 -0.685 7.943 -6.333 1.00 0.00 O ATOM 523 CG2 THR A 37 1.064 6.699 -7.440 1.00 0.00 C ATOM 0 H THR A 37 -0.318 6.890 -3.472 1.00 0.00 H new ATOM 0 HA THR A 37 -0.519 5.209 -5.888 1.00 0.00 H new ATOM 0 HB THR A 37 1.213 7.684 -5.552 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.427 8.725 -6.864 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.334 7.586 -8.013 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.955 6.096 -7.264 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.334 6.114 -7.999 1.00 0.00 H new ATOM 531 N TRP A 38 1.584 3.995 -5.368 1.00 0.00 N ATOM 532 CA TRP A 38 2.764 3.213 -5.014 1.00 0.00 C ATOM 533 C TRP A 38 3.422 2.627 -6.258 1.00 0.00 C ATOM 534 O TRP A 38 2.800 2.538 -7.317 1.00 0.00 O ATOM 535 CB TRP A 38 2.385 2.091 -4.046 1.00 0.00 C ATOM 536 CG TRP A 38 1.492 1.054 -4.659 1.00 0.00 C ATOM 537 CD1 TRP A 38 1.879 -0.035 -5.386 1.00 0.00 C ATOM 538 CD2 TRP A 38 0.062 1.011 -4.597 1.00 0.00 C ATOM 539 NE1 TRP A 38 0.776 -0.752 -5.782 1.00 0.00 N ATOM 540 CE2 TRP A 38 -0.350 -0.132 -5.310 1.00 0.00 C ATOM 541 CE3 TRP A 38 -0.909 1.825 -4.009 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.692 -0.478 -5.448 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -2.240 1.480 -4.148 1.00 0.00 C ATOM 544 CH2 TRP A 38 -2.622 0.337 -4.862 1.00 0.00 C ATOM 0 H TRP A 38 0.983 3.559 -6.067 1.00 0.00 H new ATOM 0 HA TRP A 38 3.478 3.878 -4.528 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.294 1.610 -3.685 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.886 2.523 -3.178 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.902 -0.295 -5.616 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.793 -1.607 -6.337 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.625 2.708 -3.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.988 -1.359 -5.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.999 2.103 -3.698 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.671 0.094 -4.952 1.00 0.00 H new ATOM 555 N SER A 39 4.683 2.230 -6.124 1.00 0.00 N ATOM 556 CA SER A 39 5.427 1.656 -7.239 1.00 0.00 C ATOM 557 C SER A 39 5.602 0.151 -7.059 1.00 0.00 C ATOM 558 O SER A 39 5.604 -0.370 -5.943 1.00 0.00 O ATOM 559 CB SER A 39 6.796 2.328 -7.367 1.00 0.00 C ATOM 560 OG SER A 39 7.754 1.435 -7.907 1.00 0.00 O ATOM 0 H SER A 39 5.211 2.295 -5.254 1.00 0.00 H new ATOM 0 HA SER A 39 4.857 1.831 -8.151 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.714 3.208 -8.005 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.128 2.674 -6.388 1.00 0.00 H new ATOM 0 HG SER A 39 8.620 1.889 -7.980 1.00 0.00 H new ATOM 566 N PRO A 40 5.751 -0.565 -8.183 1.00 0.00 N ATOM 567 CA PRO A 40 5.930 -2.020 -8.176 1.00 0.00 C ATOM 568 C PRO A 40 7.286 -2.435 -7.615 1.00 0.00 C ATOM 569 O PRO A 40 8.193 -1.619 -7.451 1.00 0.00 O ATOM 570 CB PRO A 40 5.826 -2.397 -9.656 1.00 0.00 C ATOM 571 CG PRO A 40 6.226 -1.163 -10.390 1.00 0.00 C ATOM 572 CD PRO A 40 5.758 -0.010 -9.547 1.00 0.00 C ATOM 0 HA PRO A 40 5.196 -2.518 -7.542 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.483 -3.233 -9.899 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.812 -2.702 -9.917 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.306 -1.128 -10.535 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.771 -1.133 -11.380 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.428 0.846 -9.629 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.767 0.331 -9.847 1.00 0.00 H new ATOM 580 N PRO A 41 7.429 -3.734 -7.313 1.00 0.00 N ATOM 581 CA PRO A 41 8.672 -4.287 -6.766 1.00 0.00 C ATOM 582 C PRO A 41 9.801 -4.300 -7.791 1.00 0.00 C ATOM 583 O PRO A 41 9.557 -4.324 -8.997 1.00 0.00 O ATOM 584 CB PRO A 41 8.284 -5.716 -6.379 1.00 0.00 C ATOM 585 CG PRO A 41 7.136 -6.051 -7.267 1.00 0.00 C ATOM 586 CD PRO A 41 6.390 -4.763 -7.482 1.00 0.00 C ATOM 0 HA PRO A 41 9.051 -3.694 -5.934 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.115 -6.406 -6.529 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.003 -5.779 -5.328 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.483 -6.464 -8.214 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.494 -6.802 -6.808 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.940 -4.720 -8.474 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.583 -4.641 -6.760 1.00 0.00 H new ATOM 594 N SER A 42 11.037 -4.283 -7.302 1.00 0.00 N ATOM 595 CA SER A 42 12.204 -4.290 -8.177 1.00 0.00 C ATOM 596 C SER A 42 12.845 -5.674 -8.217 1.00 0.00 C ATOM 597 O SER A 42 13.463 -6.112 -7.247 1.00 0.00 O ATOM 598 CB SER A 42 13.227 -3.255 -7.704 1.00 0.00 C ATOM 599 OG SER A 42 12.824 -1.942 -8.055 1.00 0.00 O ATOM 0 H SER A 42 11.256 -4.264 -6.306 1.00 0.00 H new ATOM 0 HA SER A 42 11.875 -4.032 -9.184 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.347 -3.325 -6.623 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.199 -3.471 -8.147 1.00 0.00 H new ATOM 0 HG SER A 42 13.493 -1.299 -7.740 1.00 0.00 H new ATOM 605 N SER A 43 12.693 -6.357 -9.347 1.00 0.00 N ATOM 606 CA SER A 43 13.253 -7.693 -9.514 1.00 0.00 C ATOM 607 C SER A 43 14.774 -7.663 -9.395 1.00 0.00 C ATOM 608 O SER A 43 15.452 -6.946 -10.132 1.00 0.00 O ATOM 609 CB SER A 43 12.847 -8.273 -10.870 1.00 0.00 C ATOM 610 OG SER A 43 12.893 -7.283 -11.883 1.00 0.00 O ATOM 0 H SER A 43 12.187 -6.007 -10.160 1.00 0.00 H new ATOM 0 HA SER A 43 12.857 -8.328 -8.722 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.513 -9.096 -11.131 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.840 -8.685 -10.806 1.00 0.00 H new ATOM 0 HG SER A 43 12.631 -7.679 -12.740 1.00 0.00 H new ATOM 616 N LEU A 44 15.303 -8.447 -8.463 1.00 0.00 N ATOM 617 CA LEU A 44 16.745 -8.512 -8.246 1.00 0.00 C ATOM 618 C LEU A 44 17.384 -9.566 -9.145 1.00 0.00 C ATOM 619 O LEU A 44 18.547 -9.926 -8.965 1.00 0.00 O ATOM 620 CB LEU A 44 17.046 -8.825 -6.779 1.00 0.00 C ATOM 621 CG LEU A 44 16.401 -7.897 -5.749 1.00 0.00 C ATOM 622 CD1 LEU A 44 16.214 -8.620 -4.424 1.00 0.00 C ATOM 623 CD2 LEU A 44 17.242 -6.643 -5.560 1.00 0.00 C ATOM 0 H LEU A 44 14.756 -9.047 -7.845 1.00 0.00 H new ATOM 0 HA LEU A 44 17.170 -7.540 -8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 44 16.723 -9.845 -6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 44 18.126 -8.798 -6.637 1.00 0.00 H new ATOM 0 HG LEU A 44 15.420 -7.600 -6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.754 -7.945 -3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 44 15.571 -9.488 -4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 44 17.183 -8.947 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.768 -5.994 -4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 44 18.237 -6.921 -5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 44 17.325 -6.114 -6.509 1.00 0.00 H new ATOM 635 N ILE A 45 16.616 -10.055 -10.112 1.00 0.00 N ATOM 636 CA ILE A 45 17.108 -11.065 -11.041 1.00 0.00 C ATOM 637 C ILE A 45 18.371 -10.589 -11.751 1.00 0.00 C ATOM 638 O ILE A 45 19.094 -11.383 -12.351 1.00 0.00 O ATOM 639 CB ILE A 45 16.045 -11.426 -12.095 1.00 0.00 C ATOM 640 CG1 ILE A 45 14.904 -12.215 -11.450 1.00 0.00 C ATOM 641 CG2 ILE A 45 16.673 -12.224 -13.228 1.00 0.00 C ATOM 642 CD1 ILE A 45 13.852 -12.672 -12.437 1.00 0.00 C ATOM 0 H ILE A 45 15.650 -9.768 -10.273 1.00 0.00 H new ATOM 0 HA ILE A 45 17.338 -11.952 -10.451 1.00 0.00 H new ATOM 0 HB ILE A 45 15.636 -10.504 -12.509 1.00 0.00 H new ATOM 0 HG12 ILE A 45 15.317 -13.086 -10.942 1.00 0.00 H new ATOM 0 HG13 ILE A 45 14.431 -11.596 -10.687 1.00 0.00 H new ATOM 0 HG21 ILE A 45 15.909 -12.472 -13.965 1.00 0.00 H new ATOM 0 HG22 ILE A 45 17.455 -11.630 -13.701 1.00 0.00 H new ATOM 0 HG23 ILE A 45 17.105 -13.142 -12.830 1.00 0.00 H new ATOM 0 HD11 ILE A 45 13.074 -13.225 -11.910 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.411 -11.804 -12.927 1.00 0.00 H new ATOM 0 HD13 ILE A 45 14.311 -13.317 -13.186 1.00 0.00 H new ATOM 654 N ASN A 46 18.631 -9.288 -11.677 1.00 0.00 N ATOM 655 CA ASN A 46 19.808 -8.706 -12.311 1.00 0.00 C ATOM 656 C ASN A 46 19.673 -8.727 -13.831 1.00 0.00 C ATOM 657 O ASN A 46 20.665 -8.827 -14.552 1.00 0.00 O ATOM 658 CB ASN A 46 21.068 -9.465 -11.890 1.00 0.00 C ATOM 659 CG ASN A 46 21.021 -9.903 -10.439 1.00 0.00 C ATOM 660 OD1 ASN A 46 20.966 -11.096 -10.141 1.00 0.00 O ATOM 661 ND2 ASN A 46 21.042 -8.936 -9.528 1.00 0.00 N ATOM 0 H ASN A 46 18.042 -8.617 -11.184 1.00 0.00 H new ATOM 0 HA ASN A 46 19.890 -7.669 -11.985 1.00 0.00 H new ATOM 0 HB2 ASN A 46 21.191 -10.341 -12.527 1.00 0.00 H new ATOM 0 HB3 ASN A 46 21.940 -8.831 -12.047 1.00 0.00 H new ATOM 0 HD21 ASN A 46 21.012 -9.170 -8.536 1.00 0.00 H new ATOM 0 HD22 ASN A 46 21.088 -7.960 -9.821 1.00 0.00 H new ATOM 668 N GLY A 47 18.437 -8.631 -14.311 1.00 0.00 N ATOM 669 CA GLY A 47 18.194 -8.641 -15.742 1.00 0.00 C ATOM 670 C GLY A 47 18.403 -10.010 -16.357 1.00 0.00 C ATOM 671 O GLY A 47 18.154 -10.208 -17.545 1.00 0.00 O ATOM 0 H GLY A 47 17.600 -8.546 -13.735 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.173 -8.311 -15.936 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.858 -7.924 -16.225 1.00 0.00 H new ATOM 675 N GLU A 48 18.863 -10.957 -15.545 1.00 0.00 N ATOM 676 CA GLU A 48 19.108 -12.315 -16.018 1.00 0.00 C ATOM 677 C GLU A 48 17.937 -12.818 -16.858 1.00 0.00 C ATOM 678 O GLU A 48 18.083 -13.743 -17.657 1.00 0.00 O ATOM 679 CB GLU A 48 19.344 -13.256 -14.835 1.00 0.00 C ATOM 680 CG GLU A 48 20.281 -14.409 -15.152 1.00 0.00 C ATOM 681 CD GLU A 48 21.740 -14.046 -14.951 1.00 0.00 C ATOM 682 OE1 GLU A 48 22.220 -13.119 -15.636 1.00 0.00 O ATOM 683 OE2 GLU A 48 22.402 -14.689 -14.110 1.00 0.00 O ATOM 0 H GLU A 48 19.073 -10.809 -14.558 1.00 0.00 H new ATOM 0 HA GLU A 48 20.001 -12.299 -16.643 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.754 -12.684 -14.003 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.386 -13.658 -14.504 1.00 0.00 H new ATOM 0 HG2 GLU A 48 20.031 -15.260 -14.518 1.00 0.00 H new ATOM 0 HG3 GLU A 48 20.127 -14.724 -16.184 1.00 0.00 H new ATOM 690 N THR A 49 16.774 -12.202 -16.669 1.00 0.00 N ATOM 691 CA THR A 49 15.577 -12.588 -17.406 1.00 0.00 C ATOM 692 C THR A 49 15.042 -11.424 -18.232 1.00 0.00 C ATOM 693 O THR A 49 15.364 -10.265 -17.971 1.00 0.00 O ATOM 694 CB THR A 49 14.468 -13.082 -16.458 1.00 0.00 C ATOM 695 OG1 THR A 49 13.532 -13.892 -17.179 1.00 0.00 O ATOM 696 CG2 THR A 49 13.743 -11.910 -15.815 1.00 0.00 C ATOM 0 H THR A 49 16.636 -11.434 -16.012 1.00 0.00 H new ATOM 0 HA THR A 49 15.864 -13.402 -18.072 1.00 0.00 H new ATOM 0 HB THR A 49 14.932 -13.677 -15.671 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.831 -14.204 -16.569 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.965 -12.284 -15.150 1.00 0.00 H new ATOM 0 HG22 THR A 49 14.453 -11.313 -15.243 1.00 0.00 H new ATOM 0 HG23 THR A 49 13.291 -11.292 -16.591 1.00 0.00 H new ATOM 704 N ASP A 50 14.223 -11.740 -19.230 1.00 0.00 N ATOM 705 CA ASP A 50 13.641 -10.720 -20.094 1.00 0.00 C ATOM 706 C ASP A 50 12.965 -9.629 -19.268 1.00 0.00 C ATOM 707 O ASP A 50 12.392 -9.902 -18.214 1.00 0.00 O ATOM 708 CB ASP A 50 12.631 -11.349 -21.054 1.00 0.00 C ATOM 709 CG ASP A 50 13.294 -11.970 -22.267 1.00 0.00 C ATOM 710 OD1 ASP A 50 13.594 -11.226 -23.225 1.00 0.00 O ATOM 711 OD2 ASP A 50 13.515 -13.199 -22.259 1.00 0.00 O ATOM 0 H ASP A 50 13.947 -12.695 -19.460 1.00 0.00 H new ATOM 0 HA ASP A 50 14.446 -10.267 -20.672 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.059 -12.112 -20.526 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.922 -10.588 -21.381 1.00 0.00 H new ATOM 716 N GLU A 51 13.038 -8.394 -19.754 1.00 0.00 N ATOM 717 CA GLU A 51 12.435 -7.263 -19.060 1.00 0.00 C ATOM 718 C GLU A 51 10.912 -7.344 -19.109 1.00 0.00 C ATOM 719 O GLU A 51 10.227 -6.940 -18.169 1.00 0.00 O ATOM 720 CB GLU A 51 12.908 -5.946 -19.677 1.00 0.00 C ATOM 721 CG GLU A 51 14.407 -5.726 -19.569 1.00 0.00 C ATOM 722 CD GLU A 51 14.832 -4.355 -20.057 1.00 0.00 C ATOM 723 OE1 GLU A 51 14.718 -3.386 -19.277 1.00 0.00 O ATOM 724 OE2 GLU A 51 15.279 -4.250 -21.218 1.00 0.00 O ATOM 0 H GLU A 51 13.509 -8.152 -20.626 1.00 0.00 H new ATOM 0 HA GLU A 51 12.750 -7.300 -18.017 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.621 -5.924 -20.728 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.392 -5.120 -19.188 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.715 -5.849 -18.531 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.925 -6.490 -20.148 1.00 0.00 H new ATOM 731 N SER A 52 10.389 -7.867 -20.214 1.00 0.00 N ATOM 732 CA SER A 52 8.947 -7.997 -20.389 1.00 0.00 C ATOM 733 C SER A 52 8.456 -9.347 -19.875 1.00 0.00 C ATOM 734 O SER A 52 7.522 -9.931 -20.425 1.00 0.00 O ATOM 735 CB SER A 52 8.575 -7.834 -21.864 1.00 0.00 C ATOM 736 OG SER A 52 8.754 -6.494 -22.290 1.00 0.00 O ATOM 0 H SER A 52 10.942 -8.207 -21.001 1.00 0.00 H new ATOM 0 HA SER A 52 8.463 -7.210 -19.810 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.189 -8.498 -22.473 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.537 -8.132 -22.016 1.00 0.00 H new ATOM 0 HG SER A 52 8.511 -6.416 -23.236 1.00 0.00 H new ATOM 742 N SER A 53 9.094 -9.837 -18.817 1.00 0.00 N ATOM 743 CA SER A 53 8.726 -11.121 -18.230 1.00 0.00 C ATOM 744 C SER A 53 7.967 -10.922 -16.921 1.00 0.00 C ATOM 745 O SER A 53 6.863 -11.437 -16.746 1.00 0.00 O ATOM 746 CB SER A 53 9.975 -11.970 -17.985 1.00 0.00 C ATOM 747 OG SER A 53 10.561 -11.665 -16.731 1.00 0.00 O ATOM 0 H SER A 53 9.868 -9.365 -18.349 1.00 0.00 H new ATOM 0 HA SER A 53 8.074 -11.641 -18.932 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.712 -13.027 -18.020 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.699 -11.795 -18.781 1.00 0.00 H new ATOM 0 HG SER A 53 11.196 -10.926 -16.838 1.00 0.00 H new ATOM 753 N VAL A 54 8.569 -10.171 -16.004 1.00 0.00 N ATOM 754 CA VAL A 54 7.951 -9.902 -14.711 1.00 0.00 C ATOM 755 C VAL A 54 6.545 -9.339 -14.880 1.00 0.00 C ATOM 756 O VAL A 54 6.320 -8.370 -15.606 1.00 0.00 O ATOM 757 CB VAL A 54 8.792 -8.912 -13.882 1.00 0.00 C ATOM 758 CG1 VAL A 54 10.015 -9.606 -13.301 1.00 0.00 C ATOM 759 CG2 VAL A 54 9.200 -7.718 -14.732 1.00 0.00 C ATOM 0 H VAL A 54 9.484 -9.738 -16.133 1.00 0.00 H new ATOM 0 HA VAL A 54 7.897 -10.854 -14.182 1.00 0.00 H new ATOM 0 HB VAL A 54 8.183 -8.549 -13.054 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.597 -8.891 -12.719 1.00 0.00 H new ATOM 0 HG12 VAL A 54 9.697 -10.425 -12.656 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.629 -9.999 -14.111 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.793 -7.029 -14.131 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.792 -8.061 -15.581 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.308 -7.207 -15.094 1.00 0.00 H new ATOM 769 N PRO A 55 5.573 -9.959 -14.194 1.00 0.00 N ATOM 770 CA PRO A 55 4.170 -9.536 -14.251 1.00 0.00 C ATOM 771 C PRO A 55 3.940 -8.197 -13.559 1.00 0.00 C ATOM 772 O PRO A 55 4.757 -7.758 -12.750 1.00 0.00 O ATOM 773 CB PRO A 55 3.433 -10.654 -13.511 1.00 0.00 C ATOM 774 CG PRO A 55 4.451 -11.238 -12.594 1.00 0.00 C ATOM 775 CD PRO A 55 5.769 -11.119 -13.309 1.00 0.00 C ATOM 0 HA PRO A 55 3.830 -9.388 -15.276 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.578 -10.265 -12.957 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.050 -11.402 -14.205 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.473 -10.704 -11.644 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.222 -12.280 -12.369 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.591 -10.958 -12.612 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.002 -12.021 -13.875 1.00 0.00 H new ATOM 783 N GLU A 56 2.823 -7.553 -13.882 1.00 0.00 N ATOM 784 CA GLU A 56 2.486 -6.264 -13.291 1.00 0.00 C ATOM 785 C GLU A 56 1.095 -6.299 -12.664 1.00 0.00 C ATOM 786 O GLU A 56 0.448 -5.263 -12.503 1.00 0.00 O ATOM 787 CB GLU A 56 2.554 -5.159 -14.348 1.00 0.00 C ATOM 788 CG GLU A 56 1.376 -5.163 -15.308 1.00 0.00 C ATOM 789 CD GLU A 56 1.669 -4.414 -16.593 1.00 0.00 C ATOM 790 OE1 GLU A 56 1.460 -3.183 -16.624 1.00 0.00 O ATOM 791 OE2 GLU A 56 2.108 -5.059 -17.568 1.00 0.00 O ATOM 0 H GLU A 56 2.136 -7.903 -14.550 1.00 0.00 H new ATOM 0 HA GLU A 56 3.213 -6.052 -12.507 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.601 -4.192 -13.848 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.477 -5.269 -14.918 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.109 -6.193 -15.545 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.512 -4.714 -14.819 1.00 0.00 H new ATOM 798 N LEU A 57 0.641 -7.497 -12.314 1.00 0.00 N ATOM 799 CA LEU A 57 -0.674 -7.669 -11.705 1.00 0.00 C ATOM 800 C LEU A 57 -0.547 -8.057 -10.236 1.00 0.00 C ATOM 801 O LEU A 57 -1.460 -8.648 -9.658 1.00 0.00 O ATOM 802 CB LEU A 57 -1.471 -8.734 -12.459 1.00 0.00 C ATOM 803 CG LEU A 57 -1.802 -8.418 -13.918 1.00 0.00 C ATOM 804 CD1 LEU A 57 -2.303 -6.989 -14.054 1.00 0.00 C ATOM 805 CD2 LEU A 57 -0.585 -8.645 -14.803 1.00 0.00 C ATOM 0 H LEU A 57 1.163 -8.364 -12.441 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.203 -6.718 -11.766 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.910 -9.668 -12.429 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.405 -8.906 -11.925 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.594 -9.092 -14.245 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.534 -6.782 -15.099 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.202 -6.860 -13.452 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.533 -6.299 -13.709 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.840 -8.415 -15.838 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.228 -7.997 -14.477 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.271 -9.686 -14.729 1.00 0.00 H new ATOM 817 N TYR A 58 0.589 -7.718 -9.636 1.00 0.00 N ATOM 818 CA TYR A 58 0.835 -8.032 -8.233 1.00 0.00 C ATOM 819 C TYR A 58 -0.302 -7.522 -7.353 1.00 0.00 C ATOM 820 O TYR A 58 -0.437 -6.320 -7.128 1.00 0.00 O ATOM 821 CB TYR A 58 2.161 -7.420 -7.778 1.00 0.00 C ATOM 822 CG TYR A 58 3.344 -7.843 -8.618 1.00 0.00 C ATOM 823 CD1 TYR A 58 3.654 -9.187 -8.791 1.00 0.00 C ATOM 824 CD2 TYR A 58 4.152 -6.900 -9.241 1.00 0.00 C ATOM 825 CE1 TYR A 58 4.734 -9.578 -9.557 1.00 0.00 C ATOM 826 CE2 TYR A 58 5.234 -7.282 -10.011 1.00 0.00 C ATOM 827 CZ TYR A 58 5.521 -8.622 -10.165 1.00 0.00 C ATOM 828 OH TYR A 58 6.597 -9.008 -10.931 1.00 0.00 O ATOM 0 H TYR A 58 1.353 -7.226 -10.099 1.00 0.00 H new ATOM 0 HA TYR A 58 0.889 -9.116 -8.133 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.078 -6.334 -7.804 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.344 -7.701 -6.741 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.039 -9.938 -8.318 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.931 -5.850 -9.121 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.961 -10.627 -9.680 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.851 -6.536 -10.489 1.00 0.00 H new ATOM 0 HH TYR A 58 6.401 -8.843 -11.877 1.00 0.00 H new ATOM 838 N GLY A 59 -1.119 -8.447 -6.858 1.00 0.00 N ATOM 839 CA GLY A 59 -2.234 -8.074 -6.008 1.00 0.00 C ATOM 840 C GLY A 59 -1.819 -7.154 -4.877 1.00 0.00 C ATOM 841 O GLY A 59 -1.213 -7.594 -3.900 1.00 0.00 O ATOM 0 H GLY A 59 -1.028 -9.448 -7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.998 -7.582 -6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.687 -8.974 -5.592 1.00 0.00 H new ATOM 845 N TYR A 60 -2.143 -5.872 -5.010 1.00 0.00 N ATOM 846 CA TYR A 60 -1.795 -4.887 -3.993 1.00 0.00 C ATOM 847 C TYR A 60 -2.956 -4.669 -3.027 1.00 0.00 C ATOM 848 O TYR A 60 -3.981 -4.094 -3.391 1.00 0.00 O ATOM 849 CB TYR A 60 -1.408 -3.561 -4.649 1.00 0.00 C ATOM 850 CG TYR A 60 -0.318 -3.696 -5.689 1.00 0.00 C ATOM 851 CD1 TYR A 60 0.915 -4.248 -5.364 1.00 0.00 C ATOM 852 CD2 TYR A 60 -0.521 -3.270 -6.996 1.00 0.00 C ATOM 853 CE1 TYR A 60 1.914 -4.372 -6.310 1.00 0.00 C ATOM 854 CE2 TYR A 60 0.472 -3.392 -7.949 1.00 0.00 C ATOM 855 CZ TYR A 60 1.687 -3.943 -7.601 1.00 0.00 C ATOM 856 OH TYR A 60 2.679 -4.065 -8.547 1.00 0.00 O ATOM 0 H TYR A 60 -2.646 -5.491 -5.812 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.943 -5.269 -3.430 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.291 -3.124 -5.115 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.078 -2.866 -3.877 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.095 -4.586 -4.354 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.471 -2.836 -7.272 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.867 -4.802 -6.040 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.297 -3.058 -8.961 1.00 0.00 H new ATOM 0 HH TYR A 60 2.358 -3.717 -9.405 1.00 0.00 H new ATOM 866 N GLU A 61 -2.785 -5.133 -1.793 1.00 0.00 N ATOM 867 CA GLU A 61 -3.818 -4.989 -0.774 1.00 0.00 C ATOM 868 C GLU A 61 -3.494 -3.835 0.170 1.00 0.00 C ATOM 869 O GLU A 61 -2.400 -3.765 0.732 1.00 0.00 O ATOM 870 CB GLU A 61 -3.964 -6.288 0.022 1.00 0.00 C ATOM 871 CG GLU A 61 -4.986 -6.202 1.144 1.00 0.00 C ATOM 872 CD GLU A 61 -5.074 -7.482 1.952 1.00 0.00 C ATOM 873 OE1 GLU A 61 -5.858 -8.374 1.567 1.00 0.00 O ATOM 874 OE2 GLU A 61 -4.359 -7.591 2.970 1.00 0.00 O ATOM 0 H GLU A 61 -1.942 -5.611 -1.475 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.760 -4.771 -1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.250 -7.091 -0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.995 -6.557 0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.725 -5.376 1.806 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.965 -5.975 0.722 1.00 0.00 H new ATOM 881 N VAL A 62 -4.453 -2.930 0.340 1.00 0.00 N ATOM 882 CA VAL A 62 -4.271 -1.778 1.216 1.00 0.00 C ATOM 883 C VAL A 62 -4.752 -2.082 2.630 1.00 0.00 C ATOM 884 O VAL A 62 -5.923 -2.396 2.845 1.00 0.00 O ATOM 885 CB VAL A 62 -5.023 -0.544 0.684 1.00 0.00 C ATOM 886 CG1 VAL A 62 -4.879 0.625 1.646 1.00 0.00 C ATOM 887 CG2 VAL A 62 -4.518 -0.170 -0.702 1.00 0.00 C ATOM 0 H VAL A 62 -5.364 -2.972 -0.117 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.203 -1.562 1.237 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.082 -0.791 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.417 1.488 1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.292 0.351 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.824 0.876 1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.060 0.704 -1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.453 0.058 -0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.678 -1.004 -1.385 1.00 0.00 H new ATOM 897 N LEU A 63 -3.841 -1.987 3.592 1.00 0.00 N ATOM 898 CA LEU A 63 -4.172 -2.251 4.988 1.00 0.00 C ATOM 899 C LEU A 63 -4.112 -0.970 5.814 1.00 0.00 C ATOM 900 O LEU A 63 -3.118 -0.244 5.781 1.00 0.00 O ATOM 901 CB LEU A 63 -3.214 -3.292 5.572 1.00 0.00 C ATOM 902 CG LEU A 63 -3.027 -4.567 4.749 1.00 0.00 C ATOM 903 CD1 LEU A 63 -1.742 -5.276 5.148 1.00 0.00 C ATOM 904 CD2 LEU A 63 -4.223 -5.492 4.918 1.00 0.00 C ATOM 0 H LEU A 63 -2.867 -1.729 3.431 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.190 -2.640 5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.239 -2.824 5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.573 -3.572 6.562 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.954 -4.290 3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.626 -6.181 4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.893 -4.615 4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.785 -5.541 6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.072 -6.394 4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.329 -5.762 5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.127 -4.984 4.582 1.00 0.00 H new ATOM 916 N ILE A 64 -5.182 -0.699 6.554 1.00 0.00 N ATOM 917 CA ILE A 64 -5.249 0.493 7.391 1.00 0.00 C ATOM 918 C ILE A 64 -5.800 0.163 8.774 1.00 0.00 C ATOM 919 O ILE A 64 -6.646 -0.719 8.922 1.00 0.00 O ATOM 920 CB ILE A 64 -6.126 1.583 6.748 1.00 0.00 C ATOM 921 CG1 ILE A 64 -7.563 1.083 6.587 1.00 0.00 C ATOM 922 CG2 ILE A 64 -5.551 2.000 5.403 1.00 0.00 C ATOM 923 CD1 ILE A 64 -8.580 2.196 6.463 1.00 0.00 C ATOM 0 H ILE A 64 -6.014 -1.288 6.591 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.230 0.868 7.488 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.136 2.454 7.403 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.621 0.448 5.703 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.821 0.460 7.444 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.182 2.771 4.961 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.544 2.392 5.544 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.515 1.136 4.739 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.576 1.768 6.352 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.550 2.818 7.358 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.348 2.806 5.590 1.00 0.00 H new ATOM 935 N SER A 65 -5.315 0.878 9.784 1.00 0.00 N ATOM 936 CA SER A 65 -5.758 0.660 11.156 1.00 0.00 C ATOM 937 C SER A 65 -6.132 1.981 11.823 1.00 0.00 C ATOM 938 O SER A 65 -5.301 2.621 12.467 1.00 0.00 O ATOM 939 CB SER A 65 -4.662 -0.039 11.963 1.00 0.00 C ATOM 940 OG SER A 65 -4.589 -1.416 11.638 1.00 0.00 O ATOM 0 H SER A 65 -4.616 1.613 9.678 1.00 0.00 H new ATOM 0 HA SER A 65 -6.642 0.023 11.129 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.701 0.436 11.765 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.861 0.076 13.028 1.00 0.00 H new ATOM 0 HG SER A 65 -4.047 -1.533 10.830 1.00 0.00 H new ATOM 946 N SER A 66 -7.388 2.383 11.662 1.00 0.00 N ATOM 947 CA SER A 66 -7.873 3.629 12.244 1.00 0.00 C ATOM 948 C SER A 66 -7.495 3.723 13.719 1.00 0.00 C ATOM 949 O SER A 66 -7.257 4.811 14.244 1.00 0.00 O ATOM 950 CB SER A 66 -9.391 3.733 12.088 1.00 0.00 C ATOM 951 OG SER A 66 -10.054 2.774 12.893 1.00 0.00 O ATOM 0 H SER A 66 -8.089 1.864 11.133 1.00 0.00 H new ATOM 0 HA SER A 66 -7.403 4.456 11.712 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.720 4.735 12.365 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.663 3.585 11.043 1.00 0.00 H new ATOM 0 HG SER A 66 -11.023 2.863 12.776 1.00 0.00 H new ATOM 957 N THR A 67 -7.440 2.573 14.384 1.00 0.00 N ATOM 958 CA THR A 67 -7.092 2.523 15.798 1.00 0.00 C ATOM 959 C THR A 67 -5.603 2.773 16.007 1.00 0.00 C ATOM 960 O THR A 67 -5.212 3.597 16.833 1.00 0.00 O ATOM 961 CB THR A 67 -7.466 1.165 16.422 1.00 0.00 C ATOM 962 OG1 THR A 67 -6.934 0.099 15.628 1.00 0.00 O ATOM 963 CG2 THR A 67 -8.976 1.017 16.532 1.00 0.00 C ATOM 0 H THR A 67 -7.632 1.663 13.965 1.00 0.00 H new ATOM 0 HA THR A 67 -7.663 3.310 16.291 1.00 0.00 H new ATOM 0 HB THR A 67 -7.039 1.120 17.424 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.174 -0.761 16.032 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.216 0.050 16.975 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.375 1.813 17.160 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.421 1.081 15.539 1.00 0.00 H new ATOM 971 N GLY A 68 -4.776 2.057 15.252 1.00 0.00 N ATOM 972 CA GLY A 68 -3.338 2.216 15.370 1.00 0.00 C ATOM 973 C GLY A 68 -2.573 1.205 14.540 1.00 0.00 C ATOM 974 O GLY A 68 -3.064 0.107 14.276 1.00 0.00 O ATOM 0 H GLY A 68 -5.076 1.370 14.561 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.060 3.223 15.058 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.049 2.116 16.416 1.00 0.00 H new ATOM 978 N LYS A 69 -1.366 1.575 14.125 1.00 0.00 N ATOM 979 CA LYS A 69 -0.530 0.693 13.319 1.00 0.00 C ATOM 980 C LYS A 69 -0.397 -0.679 13.973 1.00 0.00 C ATOM 981 O LYS A 69 -0.708 -1.701 13.361 1.00 0.00 O ATOM 982 CB LYS A 69 0.856 1.311 13.121 1.00 0.00 C ATOM 983 CG LYS A 69 1.853 0.371 12.465 1.00 0.00 C ATOM 984 CD LYS A 69 3.285 0.757 12.797 1.00 0.00 C ATOM 985 CE LYS A 69 3.724 1.989 12.019 1.00 0.00 C ATOM 986 NZ LYS A 69 5.099 2.420 12.394 1.00 0.00 N ATOM 0 H LYS A 69 -0.945 2.480 14.334 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.008 0.568 12.348 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.760 2.209 12.511 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.247 1.624 14.089 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.664 -0.650 12.797 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.712 0.386 11.384 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.373 0.950 13.866 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.950 -0.076 12.568 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.689 1.776 10.951 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.025 2.804 12.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.361 3.262 11.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.127 2.648 13.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.770 1.652 12.193 1.00 0.00 H new ATOM 1000 N ASP A 70 0.064 -0.693 15.218 1.00 0.00 N ATOM 1001 CA ASP A 70 0.235 -1.940 15.956 1.00 0.00 C ATOM 1002 C ASP A 70 -1.107 -2.462 16.459 1.00 0.00 C ATOM 1003 O ASP A 70 -1.244 -2.830 17.625 1.00 0.00 O ATOM 1004 CB ASP A 70 1.190 -1.734 17.133 1.00 0.00 C ATOM 1005 CG ASP A 70 1.906 -3.010 17.527 1.00 0.00 C ATOM 1006 OD1 ASP A 70 1.349 -4.101 17.288 1.00 0.00 O ATOM 1007 OD2 ASP A 70 3.024 -2.918 18.077 1.00 0.00 O ATOM 0 H ASP A 70 0.326 0.144 15.738 1.00 0.00 H new ATOM 0 HA ASP A 70 0.661 -2.679 15.278 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.926 -0.974 16.871 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.631 -1.355 17.989 1.00 0.00 H new ATOM 1012 N GLY A 71 -2.096 -2.490 15.571 1.00 0.00 N ATOM 1013 CA GLY A 71 -3.415 -2.967 15.944 1.00 0.00 C ATOM 1014 C GLY A 71 -3.992 -3.931 14.927 1.00 0.00 C ATOM 1015 O GLY A 71 -3.264 -4.725 14.329 1.00 0.00 O ATOM 0 H GLY A 71 -2.007 -2.191 14.600 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.359 -3.459 16.915 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.087 -2.116 16.056 1.00 0.00 H new ATOM 1019 N LYS A 72 -5.304 -3.865 14.729 1.00 0.00 N ATOM 1020 CA LYS A 72 -5.980 -4.739 13.777 1.00 0.00 C ATOM 1021 C LYS A 72 -6.155 -4.045 12.431 1.00 0.00 C ATOM 1022 O LYS A 72 -6.776 -2.985 12.344 1.00 0.00 O ATOM 1023 CB LYS A 72 -7.344 -5.165 14.325 1.00 0.00 C ATOM 1024 CG LYS A 72 -7.903 -6.412 13.662 1.00 0.00 C ATOM 1025 CD LYS A 72 -8.716 -6.070 12.424 1.00 0.00 C ATOM 1026 CE LYS A 72 -8.871 -7.274 11.509 1.00 0.00 C ATOM 1027 NZ LYS A 72 -10.036 -7.128 10.593 1.00 0.00 N ATOM 0 H LYS A 72 -5.921 -3.215 15.216 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.361 -5.624 13.631 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.256 -5.342 15.397 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.051 -4.346 14.194 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.084 -7.077 13.388 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.529 -6.953 14.372 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.700 -5.709 12.722 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.230 -5.259 11.881 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.962 -7.404 10.922 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.993 -8.174 12.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.108 -7.969 9.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.907 -7.030 11.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.908 -6.283 10.000 1.00 0.00 H new ATOM 1041 N TYR A 73 -5.606 -4.649 11.383 1.00 0.00 N ATOM 1042 CA TYR A 73 -5.701 -4.088 10.040 1.00 0.00 C ATOM 1043 C TYR A 73 -6.927 -4.628 9.310 1.00 0.00 C ATOM 1044 O TYR A 73 -7.377 -5.745 9.567 1.00 0.00 O ATOM 1045 CB TYR A 73 -4.436 -4.406 9.241 1.00 0.00 C ATOM 1046 CG TYR A 73 -3.269 -3.503 9.570 1.00 0.00 C ATOM 1047 CD1 TYR A 73 -2.414 -3.797 10.625 1.00 0.00 C ATOM 1048 CD2 TYR A 73 -3.022 -2.355 8.827 1.00 0.00 C ATOM 1049 CE1 TYR A 73 -1.346 -2.975 10.930 1.00 0.00 C ATOM 1050 CE2 TYR A 73 -1.957 -1.528 9.124 1.00 0.00 C ATOM 1051 CZ TYR A 73 -1.122 -1.841 10.176 1.00 0.00 C ATOM 1052 OH TYR A 73 -0.060 -1.019 10.475 1.00 0.00 O ATOM 0 H TYR A 73 -5.090 -5.527 11.437 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.802 -3.007 10.131 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.148 -5.440 9.429 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.658 -4.325 8.177 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.587 -4.684 11.217 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.674 -2.105 8.003 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.691 -3.218 11.753 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.779 -0.640 8.535 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.334 -0.083 10.379 1.00 0.00 H new ATOM 1062 N LYS A 74 -7.463 -3.826 8.396 1.00 0.00 N ATOM 1063 CA LYS A 74 -8.636 -4.221 7.624 1.00 0.00 C ATOM 1064 C LYS A 74 -8.428 -3.946 6.138 1.00 0.00 C ATOM 1065 O LYS A 74 -7.763 -2.980 5.764 1.00 0.00 O ATOM 1066 CB LYS A 74 -9.875 -3.475 8.123 1.00 0.00 C ATOM 1067 CG LYS A 74 -10.927 -3.256 7.050 1.00 0.00 C ATOM 1068 CD LYS A 74 -12.273 -2.892 7.654 1.00 0.00 C ATOM 1069 CE LYS A 74 -12.361 -1.405 7.962 1.00 0.00 C ATOM 1070 NZ LYS A 74 -13.725 -1.012 8.411 1.00 0.00 N ATOM 0 H LYS A 74 -7.104 -2.898 8.172 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.785 -5.292 7.760 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.319 -4.035 8.946 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.570 -2.508 8.523 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.602 -2.462 6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.029 -4.160 6.450 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.070 -3.170 6.964 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.429 -3.464 8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.637 -1.151 8.736 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.092 -0.833 7.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.744 0.008 8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.413 -1.231 7.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.972 -1.538 9.273 1.00 0.00 H new ATOM 1084 N SER A 75 -9.002 -4.800 5.297 1.00 0.00 N ATOM 1085 CA SER A 75 -8.877 -4.650 3.852 1.00 0.00 C ATOM 1086 C SER A 75 -9.889 -3.639 3.321 1.00 0.00 C ATOM 1087 O SER A 75 -11.097 -3.809 3.484 1.00 0.00 O ATOM 1088 CB SER A 75 -9.075 -5.999 3.158 1.00 0.00 C ATOM 1089 OG SER A 75 -10.346 -6.547 3.463 1.00 0.00 O ATOM 0 H SER A 75 -9.558 -5.603 5.591 1.00 0.00 H new ATOM 0 HA SER A 75 -7.874 -4.282 3.636 1.00 0.00 H new ATOM 0 HB2 SER A 75 -8.978 -5.874 2.079 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.293 -6.691 3.470 1.00 0.00 H new ATOM 0 HG SER A 75 -10.975 -5.823 3.663 1.00 0.00 H new ATOM 1095 N VAL A 76 -9.386 -2.585 2.686 1.00 0.00 N ATOM 1096 CA VAL A 76 -10.245 -1.546 2.129 1.00 0.00 C ATOM 1097 C VAL A 76 -10.328 -1.656 0.611 1.00 0.00 C ATOM 1098 O VAL A 76 -11.322 -1.260 0.003 1.00 0.00 O ATOM 1099 CB VAL A 76 -9.740 -0.140 2.505 1.00 0.00 C ATOM 1100 CG1 VAL A 76 -9.951 0.124 3.988 1.00 0.00 C ATOM 1101 CG2 VAL A 76 -8.274 0.017 2.130 1.00 0.00 C ATOM 0 H VAL A 76 -8.388 -2.428 2.544 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.237 -1.694 2.555 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.316 0.596 1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.588 1.122 4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -11.013 0.056 4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.403 -0.616 4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.934 1.016 2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.681 -0.726 2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.156 -0.126 1.056 1.00 0.00 H new ATOM 1111 N TYR A 77 -9.277 -2.196 0.005 1.00 0.00 N ATOM 1112 CA TYR A 77 -9.229 -2.357 -1.444 1.00 0.00 C ATOM 1113 C TYR A 77 -8.236 -3.445 -1.839 1.00 0.00 C ATOM 1114 O TYR A 77 -7.138 -3.530 -1.289 1.00 0.00 O ATOM 1115 CB TYR A 77 -8.846 -1.035 -2.112 1.00 0.00 C ATOM 1116 CG TYR A 77 -8.517 -1.173 -3.581 1.00 0.00 C ATOM 1117 CD1 TYR A 77 -7.223 -1.459 -4.000 1.00 0.00 C ATOM 1118 CD2 TYR A 77 -9.500 -1.017 -4.551 1.00 0.00 C ATOM 1119 CE1 TYR A 77 -6.918 -1.585 -5.341 1.00 0.00 C ATOM 1120 CE2 TYR A 77 -9.203 -1.142 -5.895 1.00 0.00 C ATOM 1121 CZ TYR A 77 -7.911 -1.426 -6.285 1.00 0.00 C ATOM 1122 OH TYR A 77 -7.611 -1.552 -7.622 1.00 0.00 O ATOM 0 H TYR A 77 -8.447 -2.530 0.494 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.221 -2.655 -1.784 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.668 -0.328 -1.997 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.986 -0.611 -1.594 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -6.443 -1.585 -3.264 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.513 -0.794 -4.250 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.907 -1.807 -5.649 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.979 -1.018 -6.636 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.422 -1.412 -8.154 1.00 0.00 H new ATOM 1132 N VAL A 78 -8.630 -4.277 -2.798 1.00 0.00 N ATOM 1133 CA VAL A 78 -7.776 -5.360 -3.270 1.00 0.00 C ATOM 1134 C VAL A 78 -7.825 -5.477 -4.789 1.00 0.00 C ATOM 1135 O VAL A 78 -8.825 -5.916 -5.356 1.00 0.00 O ATOM 1136 CB VAL A 78 -8.185 -6.709 -2.649 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -7.358 -7.841 -3.238 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -8.039 -6.664 -1.135 1.00 0.00 C ATOM 0 H VAL A 78 -9.536 -4.221 -3.263 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.759 -5.119 -2.960 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.233 -6.895 -2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.661 -8.786 -2.787 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.517 -7.885 -4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.302 -7.664 -3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.332 -7.625 -0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.001 -6.455 -0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.679 -5.880 -0.731 1.00 0.00 H new ATOM 1148 N GLY A 79 -6.738 -5.081 -5.444 1.00 0.00 N ATOM 1149 CA GLY A 79 -6.677 -5.150 -6.892 1.00 0.00 C ATOM 1150 C GLY A 79 -5.259 -5.296 -7.407 1.00 0.00 C ATOM 1151 O GLY A 79 -4.409 -5.887 -6.742 1.00 0.00 O ATOM 0 H GLY A 79 -5.898 -4.713 -4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.274 -5.994 -7.238 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.123 -4.249 -7.315 1.00 0.00 H new ATOM 1155 N GLU A 80 -5.004 -4.758 -8.595 1.00 0.00 N ATOM 1156 CA GLU A 80 -3.679 -4.834 -9.199 1.00 0.00 C ATOM 1157 C GLU A 80 -3.147 -3.440 -9.521 1.00 0.00 C ATOM 1158 O GLU A 80 -1.937 -3.214 -9.528 1.00 0.00 O ATOM 1159 CB GLU A 80 -3.722 -5.682 -10.472 1.00 0.00 C ATOM 1160 CG GLU A 80 -4.257 -7.087 -10.250 1.00 0.00 C ATOM 1161 CD GLU A 80 -5.654 -7.093 -9.662 1.00 0.00 C ATOM 1162 OE1 GLU A 80 -6.592 -6.648 -10.357 1.00 0.00 O ATOM 1163 OE2 GLU A 80 -5.811 -7.543 -8.508 1.00 0.00 O ATOM 0 H GLU A 80 -5.697 -4.265 -9.158 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.007 -5.304 -8.481 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.343 -5.179 -11.213 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.717 -5.747 -10.889 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.264 -7.623 -11.199 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.584 -7.627 -9.584 1.00 0.00 H new ATOM 1170 N GLU A 81 -4.060 -2.511 -9.786 1.00 0.00 N ATOM 1171 CA GLU A 81 -3.682 -1.141 -10.110 1.00 0.00 C ATOM 1172 C GLU A 81 -2.810 -0.542 -9.010 1.00 0.00 C ATOM 1173 O GLU A 81 -3.077 -0.725 -7.822 1.00 0.00 O ATOM 1174 CB GLU A 81 -4.930 -0.279 -10.313 1.00 0.00 C ATOM 1175 CG GLU A 81 -5.422 -0.248 -11.750 1.00 0.00 C ATOM 1176 CD GLU A 81 -6.922 -0.050 -11.848 1.00 0.00 C ATOM 1177 OE1 GLU A 81 -7.646 -0.554 -10.965 1.00 0.00 O ATOM 1178 OE2 GLU A 81 -7.372 0.609 -12.809 1.00 0.00 O ATOM 0 H GLU A 81 -5.066 -2.682 -9.783 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.107 -1.159 -11.036 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.728 -0.654 -9.673 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.714 0.739 -9.990 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.917 0.556 -12.286 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.149 -1.181 -12.244 1.00 0.00 H new ATOM 1185 N THR A 82 -1.765 0.174 -9.415 1.00 0.00 N ATOM 1186 CA THR A 82 -0.853 0.798 -8.465 1.00 0.00 C ATOM 1187 C THR A 82 -1.482 2.030 -7.826 1.00 0.00 C ATOM 1188 O THR A 82 -1.376 2.237 -6.618 1.00 0.00 O ATOM 1189 CB THR A 82 0.470 1.204 -9.142 1.00 0.00 C ATOM 1190 OG1 THR A 82 0.206 2.050 -10.267 1.00 0.00 O ATOM 1191 CG2 THR A 82 1.245 -0.024 -9.595 1.00 0.00 C ATOM 0 H THR A 82 -1.530 0.336 -10.394 1.00 0.00 H new ATOM 0 HA THR A 82 -0.646 0.058 -7.692 1.00 0.00 H new ATOM 0 HB THR A 82 1.073 1.747 -8.414 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.052 2.305 -10.690 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.175 0.288 -10.070 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.470 -0.651 -8.732 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.645 -0.590 -10.308 1.00 0.00 H new ATOM 1199 N ASN A 83 -2.140 2.845 -8.644 1.00 0.00 N ATOM 1200 CA ASN A 83 -2.787 4.058 -8.157 1.00 0.00 C ATOM 1201 C ASN A 83 -4.277 3.824 -7.928 1.00 0.00 C ATOM 1202 O ASN A 83 -5.001 3.424 -8.841 1.00 0.00 O ATOM 1203 CB ASN A 83 -2.586 5.203 -9.152 1.00 0.00 C ATOM 1204 CG ASN A 83 -3.732 6.196 -9.129 1.00 0.00 C ATOM 1205 OD1 ASN A 83 -4.700 6.061 -9.877 1.00 0.00 O ATOM 1206 ND2 ASN A 83 -3.625 7.202 -8.269 1.00 0.00 N ATOM 0 H ASN A 83 -2.239 2.688 -9.647 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.329 4.328 -7.206 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -1.655 5.721 -8.922 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.483 4.794 -10.157 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.364 7.903 -8.209 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.804 7.274 -7.668 1.00 0.00 H new ATOM 1213 N ILE A 84 -4.729 4.077 -6.705 1.00 0.00 N ATOM 1214 CA ILE A 84 -6.133 3.897 -6.356 1.00 0.00 C ATOM 1215 C ILE A 84 -6.604 4.980 -5.393 1.00 0.00 C ATOM 1216 O ILE A 84 -5.795 5.675 -4.777 1.00 0.00 O ATOM 1217 CB ILE A 84 -6.382 2.516 -5.721 1.00 0.00 C ATOM 1218 CG1 ILE A 84 -5.648 2.407 -4.382 1.00 0.00 C ATOM 1219 CG2 ILE A 84 -5.938 1.410 -6.666 1.00 0.00 C ATOM 1220 CD1 ILE A 84 -6.441 2.946 -3.213 1.00 0.00 C ATOM 0 H ILE A 84 -4.143 4.408 -5.938 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.701 3.969 -7.284 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.451 2.403 -5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.405 1.361 -4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.703 2.947 -4.450 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.121 0.440 -6.203 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.501 1.479 -7.597 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.874 1.517 -6.877 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.860 2.836 -2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.662 4.000 -3.378 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.374 2.390 -3.119 1.00 0.00 H new ATOM 1232 N THR A 85 -7.920 5.119 -5.264 1.00 0.00 N ATOM 1233 CA THR A 85 -8.501 6.117 -4.375 1.00 0.00 C ATOM 1234 C THR A 85 -9.240 5.457 -3.216 1.00 0.00 C ATOM 1235 O THR A 85 -10.107 4.607 -3.423 1.00 0.00 O ATOM 1236 CB THR A 85 -9.473 7.044 -5.129 1.00 0.00 C ATOM 1237 OG1 THR A 85 -8.786 7.714 -6.191 1.00 0.00 O ATOM 1238 CG2 THR A 85 -10.084 8.069 -4.186 1.00 0.00 C ATOM 0 H THR A 85 -8.604 4.552 -5.765 1.00 0.00 H new ATOM 0 HA THR A 85 -7.675 6.711 -3.984 1.00 0.00 H new ATOM 0 HB THR A 85 -10.275 6.433 -5.544 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.411 8.300 -6.667 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.767 8.712 -4.741 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.631 7.555 -3.395 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.293 8.675 -3.745 1.00 0.00 H new ATOM 1246 N LEU A 86 -8.894 5.854 -1.997 1.00 0.00 N ATOM 1247 CA LEU A 86 -9.526 5.302 -0.804 1.00 0.00 C ATOM 1248 C LEU A 86 -10.949 5.830 -0.648 1.00 0.00 C ATOM 1249 O LEU A 86 -11.266 6.930 -1.098 1.00 0.00 O ATOM 1250 CB LEU A 86 -8.703 5.645 0.439 1.00 0.00 C ATOM 1251 CG LEU A 86 -7.372 4.908 0.587 1.00 0.00 C ATOM 1252 CD1 LEU A 86 -7.590 3.529 1.191 1.00 0.00 C ATOM 1253 CD2 LEU A 86 -6.671 4.798 -0.759 1.00 0.00 C ATOM 0 H LEU A 86 -8.179 6.556 -1.808 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.570 4.219 -0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.503 6.717 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.310 5.438 1.320 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.734 5.480 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.632 3.019 1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.049 3.631 2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.246 2.948 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.725 4.271 -0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.304 4.248 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.481 5.796 -1.153 1.00 0.00 H new ATOM 1265 N ASN A 87 -11.801 5.038 -0.005 1.00 0.00 N ATOM 1266 CA ASN A 87 -13.190 5.427 0.212 1.00 0.00 C ATOM 1267 C ASN A 87 -13.747 4.773 1.474 1.00 0.00 C ATOM 1268 O ASN A 87 -13.269 3.723 1.904 1.00 0.00 O ATOM 1269 CB ASN A 87 -14.045 5.040 -0.996 1.00 0.00 C ATOM 1270 CG ASN A 87 -13.460 3.873 -1.768 1.00 0.00 C ATOM 1271 OD1 ASN A 87 -13.751 2.713 -1.477 1.00 0.00 O ATOM 1272 ND2 ASN A 87 -12.629 4.176 -2.759 1.00 0.00 N ATOM 0 H ASN A 87 -11.554 4.124 0.375 1.00 0.00 H new ATOM 0 HA ASN A 87 -13.222 6.509 0.340 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -15.049 4.783 -0.659 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -14.142 5.899 -1.660 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.204 3.433 -3.314 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -12.416 5.152 -2.965 1.00 0.00 H new ATOM 1279 N ASP A 88 -14.759 5.401 2.061 1.00 0.00 N ATOM 1280 CA ASP A 88 -15.383 4.880 3.272 1.00 0.00 C ATOM 1281 C ASP A 88 -14.472 5.076 4.480 1.00 0.00 C ATOM 1282 O ASP A 88 -14.390 4.214 5.356 1.00 0.00 O ATOM 1283 CB ASP A 88 -15.714 3.397 3.103 1.00 0.00 C ATOM 1284 CG ASP A 88 -16.839 2.947 4.014 1.00 0.00 C ATOM 1285 OD1 ASP A 88 -17.776 3.743 4.237 1.00 0.00 O ATOM 1286 OD2 ASP A 88 -16.783 1.800 4.505 1.00 0.00 O ATOM 0 H ASP A 88 -15.165 6.272 1.718 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.307 5.433 3.442 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.991 3.206 2.066 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.824 2.803 3.310 1.00 0.00 H new ATOM 1291 N LEU A 89 -13.788 6.215 4.520 1.00 0.00 N ATOM 1292 CA LEU A 89 -12.882 6.524 5.620 1.00 0.00 C ATOM 1293 C LEU A 89 -13.487 7.575 6.545 1.00 0.00 C ATOM 1294 O LEU A 89 -14.556 8.121 6.268 1.00 0.00 O ATOM 1295 CB LEU A 89 -11.540 7.019 5.077 1.00 0.00 C ATOM 1296 CG LEU A 89 -10.955 6.225 3.908 1.00 0.00 C ATOM 1297 CD1 LEU A 89 -9.714 6.915 3.363 1.00 0.00 C ATOM 1298 CD2 LEU A 89 -10.632 4.802 4.338 1.00 0.00 C ATOM 0 H LEU A 89 -13.844 6.939 3.804 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.721 5.611 6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.658 8.056 4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.817 7.013 5.892 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.700 6.182 3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.311 6.336 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.976 7.914 3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.964 6.990 4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.217 4.252 3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.905 4.823 5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.543 4.309 4.679 1.00 0.00 H new ATOM 1310 N LYS A 90 -12.797 7.855 7.645 1.00 0.00 N ATOM 1311 CA LYS A 90 -13.263 8.843 8.611 1.00 0.00 C ATOM 1312 C LYS A 90 -12.473 10.141 8.487 1.00 0.00 C ATOM 1313 O LYS A 90 -11.245 10.159 8.576 1.00 0.00 O ATOM 1314 CB LYS A 90 -13.140 8.293 10.034 1.00 0.00 C ATOM 1315 CG LYS A 90 -14.327 7.448 10.464 1.00 0.00 C ATOM 1316 CD LYS A 90 -14.010 6.633 11.707 1.00 0.00 C ATOM 1317 CE LYS A 90 -14.201 7.452 12.974 1.00 0.00 C ATOM 1318 NZ LYS A 90 -15.641 7.640 13.302 1.00 0.00 N ATOM 0 H LYS A 90 -11.912 7.411 7.890 1.00 0.00 H new ATOM 0 HA LYS A 90 -14.311 9.055 8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.233 7.693 10.106 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -13.027 9.126 10.728 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -15.183 8.094 10.660 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -14.612 6.779 9.652 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.653 5.754 11.741 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.982 6.274 11.656 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.701 6.956 13.806 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.726 8.426 12.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -15.730 8.037 14.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.071 8.292 12.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -16.129 6.723 13.261 1.00 0.00 H new ATOM 1332 N PRO A 91 -13.190 11.254 8.276 1.00 0.00 N ATOM 1333 CA PRO A 91 -12.576 12.578 8.137 1.00 0.00 C ATOM 1334 C PRO A 91 -11.990 13.086 9.450 1.00 0.00 C ATOM 1335 O PRO A 91 -12.447 12.713 10.530 1.00 0.00 O ATOM 1336 CB PRO A 91 -13.741 13.465 7.692 1.00 0.00 C ATOM 1337 CG PRO A 91 -14.958 12.779 8.210 1.00 0.00 C ATOM 1338 CD PRO A 91 -14.657 11.307 8.158 1.00 0.00 C ATOM 0 HA PRO A 91 -11.740 12.568 7.438 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -13.650 14.472 8.100 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.773 13.562 6.607 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -15.181 13.096 9.229 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.830 13.021 7.603 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -15.145 10.768 8.970 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -15.002 10.859 7.226 1.00 0.00 H new ATOM 1346 N ALA A 92 -10.977 13.940 9.349 1.00 0.00 N ATOM 1347 CA ALA A 92 -10.331 14.501 10.529 1.00 0.00 C ATOM 1348 C ALA A 92 -9.702 13.406 11.384 1.00 0.00 C ATOM 1349 O ALA A 92 -9.804 13.427 12.610 1.00 0.00 O ATOM 1350 CB ALA A 92 -11.332 15.303 11.348 1.00 0.00 C ATOM 0 H ALA A 92 -10.586 14.258 8.462 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.535 15.167 10.195 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.836 15.716 12.226 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.731 16.116 10.741 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.147 14.653 11.664 1.00 0.00 H new ATOM 1356 N MET A 93 -9.052 12.450 10.728 1.00 0.00 N ATOM 1357 CA MET A 93 -8.406 11.347 11.430 1.00 0.00 C ATOM 1358 C MET A 93 -7.051 11.027 10.808 1.00 0.00 C ATOM 1359 O MET A 93 -6.829 11.268 9.621 1.00 0.00 O ATOM 1360 CB MET A 93 -9.299 10.105 11.402 1.00 0.00 C ATOM 1361 CG MET A 93 -9.045 9.148 12.556 1.00 0.00 C ATOM 1362 SD MET A 93 -9.438 7.438 12.139 1.00 0.00 S ATOM 1363 CE MET A 93 -11.073 7.282 12.855 1.00 0.00 C ATOM 0 H MET A 93 -8.959 12.417 9.713 1.00 0.00 H new ATOM 0 HA MET A 93 -8.249 11.650 12.465 1.00 0.00 H new ATOM 0 HB2 MET A 93 -10.343 10.418 11.423 1.00 0.00 H new ATOM 0 HB3 MET A 93 -9.143 9.577 10.461 1.00 0.00 H new ATOM 0 HG2 MET A 93 -7.999 9.214 12.854 1.00 0.00 H new ATOM 0 HG3 MET A 93 -9.641 9.455 13.415 1.00 0.00 H new ATOM 0 HE1 MET A 93 -11.423 6.256 12.742 1.00 0.00 H new ATOM 0 HE2 MET A 93 -11.032 7.537 13.914 1.00 0.00 H new ATOM 0 HE3 MET A 93 -11.759 7.958 12.345 1.00 0.00 H new ATOM 1373 N ASP A 94 -6.148 10.483 11.616 1.00 0.00 N ATOM 1374 CA ASP A 94 -4.814 10.129 11.145 1.00 0.00 C ATOM 1375 C ASP A 94 -4.503 8.665 11.441 1.00 0.00 C ATOM 1376 O ASP A 94 -4.506 8.241 12.597 1.00 0.00 O ATOM 1377 CB ASP A 94 -3.763 11.029 11.798 1.00 0.00 C ATOM 1378 CG ASP A 94 -3.481 10.639 13.236 1.00 0.00 C ATOM 1379 OD1 ASP A 94 -4.324 10.939 14.107 1.00 0.00 O ATOM 1380 OD2 ASP A 94 -2.417 10.036 13.490 1.00 0.00 O ATOM 0 H ASP A 94 -6.315 10.277 12.601 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.787 10.276 10.065 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -2.838 10.979 11.223 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.104 12.064 11.765 1.00 0.00 H new ATOM 1385 N TYR A 95 -4.236 7.898 10.390 1.00 0.00 N ATOM 1386 CA TYR A 95 -3.927 6.480 10.538 1.00 0.00 C ATOM 1387 C TYR A 95 -2.821 6.061 9.574 1.00 0.00 C ATOM 1388 O TYR A 95 -2.450 6.812 8.671 1.00 0.00 O ATOM 1389 CB TYR A 95 -5.179 5.636 10.293 1.00 0.00 C ATOM 1390 CG TYR A 95 -6.116 6.226 9.265 1.00 0.00 C ATOM 1391 CD1 TYR A 95 -6.820 7.395 9.527 1.00 0.00 C ATOM 1392 CD2 TYR A 95 -6.298 5.616 8.030 1.00 0.00 C ATOM 1393 CE1 TYR A 95 -7.678 7.938 8.590 1.00 0.00 C ATOM 1394 CE2 TYR A 95 -7.153 6.152 7.086 1.00 0.00 C ATOM 1395 CZ TYR A 95 -7.841 7.313 7.372 1.00 0.00 C ATOM 1396 OH TYR A 95 -8.694 7.851 6.436 1.00 0.00 O ATOM 0 H TYR A 95 -4.227 8.234 9.427 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.579 6.314 11.557 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.878 4.640 9.968 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.715 5.515 11.234 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.694 7.888 10.480 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.761 4.706 7.804 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -8.218 8.847 8.810 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.282 5.665 6.131 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.273 8.515 6.865 1.00 0.00 H new ATOM 1406 N HIS A 96 -2.298 4.855 9.773 1.00 0.00 N ATOM 1407 CA HIS A 96 -1.234 4.334 8.921 1.00 0.00 C ATOM 1408 C HIS A 96 -1.809 3.479 7.796 1.00 0.00 C ATOM 1409 O HIS A 96 -2.959 3.044 7.859 1.00 0.00 O ATOM 1410 CB HIS A 96 -0.247 3.511 9.749 1.00 0.00 C ATOM 1411 CG HIS A 96 0.470 4.309 10.794 1.00 0.00 C ATOM 1412 ND1 HIS A 96 -0.143 4.773 11.939 1.00 0.00 N ATOM 1413 CD2 HIS A 96 1.757 4.723 10.864 1.00 0.00 C ATOM 1414 CE1 HIS A 96 0.735 5.440 12.666 1.00 0.00 C ATOM 1415 NE2 HIS A 96 1.896 5.424 12.036 1.00 0.00 N ATOM 0 H HIS A 96 -2.593 4.221 10.516 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.709 5.180 8.478 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.783 2.694 10.232 1.00 0.00 H new ATOM 0 HB3 HIS A 96 0.487 3.060 9.081 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.530 4.536 10.134 1.00 0.00 H new ATOM 0 HE1 HIS A 96 0.537 5.917 13.614 1.00 0.00 H new ATOM 0 HE2 HIS A 96 2.756 5.861 12.367 1.00 0.00 H new ATOM 1424 N ALA A 97 -1.002 3.243 6.767 1.00 0.00 N ATOM 1425 CA ALA A 97 -1.431 2.440 5.629 1.00 0.00 C ATOM 1426 C ALA A 97 -0.262 1.656 5.039 1.00 0.00 C ATOM 1427 O ALA A 97 0.894 2.059 5.163 1.00 0.00 O ATOM 1428 CB ALA A 97 -2.064 3.325 4.566 1.00 0.00 C ATOM 0 H ALA A 97 -0.048 3.596 6.698 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.175 1.725 5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.379 2.711 3.722 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.930 3.836 4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.337 4.063 4.226 1.00 0.00 H new ATOM 1434 N LYS A 98 -0.572 0.535 4.398 1.00 0.00 N ATOM 1435 CA LYS A 98 0.451 -0.306 3.788 1.00 0.00 C ATOM 1436 C LYS A 98 -0.096 -1.024 2.559 1.00 0.00 C ATOM 1437 O LYS A 98 -1.309 -1.109 2.365 1.00 0.00 O ATOM 1438 CB LYS A 98 0.970 -1.329 4.801 1.00 0.00 C ATOM 1439 CG LYS A 98 1.312 -0.727 6.152 1.00 0.00 C ATOM 1440 CD LYS A 98 1.858 -1.775 7.108 1.00 0.00 C ATOM 1441 CE LYS A 98 2.422 -1.139 8.369 1.00 0.00 C ATOM 1442 NZ LYS A 98 2.732 -2.157 9.412 1.00 0.00 N ATOM 0 H LYS A 98 -1.524 0.187 4.287 1.00 0.00 H new ATOM 0 HA LYS A 98 1.274 0.336 3.475 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.218 -2.106 4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.857 -1.814 4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.048 0.067 6.022 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.422 -0.269 6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.065 -2.474 7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.637 -2.352 6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.327 -0.584 8.122 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.705 -0.420 8.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.650 -1.938 9.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.990 -2.145 10.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.773 -3.100 8.975 1.00 0.00 H new ATOM 1456 N VAL A 99 0.806 -1.542 1.731 1.00 0.00 N ATOM 1457 CA VAL A 99 0.413 -2.256 0.522 1.00 0.00 C ATOM 1458 C VAL A 99 1.127 -3.599 0.420 1.00 0.00 C ATOM 1459 O VAL A 99 2.356 -3.660 0.415 1.00 0.00 O ATOM 1460 CB VAL A 99 0.715 -1.429 -0.742 1.00 0.00 C ATOM 1461 CG1 VAL A 99 2.186 -1.539 -1.113 1.00 0.00 C ATOM 1462 CG2 VAL A 99 -0.169 -1.876 -1.896 1.00 0.00 C ATOM 0 H VAL A 99 1.814 -1.480 1.876 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.662 -2.424 0.589 1.00 0.00 H new ATOM 0 HB VAL A 99 0.495 -0.382 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.381 -0.948 -2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.797 -1.165 -0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.436 -2.582 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.058 -1.281 -2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.016 -2.929 -2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.216 -1.739 -1.626 1.00 0.00 H new ATOM 1472 N GLN A 100 0.348 -4.673 0.338 1.00 0.00 N ATOM 1473 CA GLN A 100 0.906 -6.016 0.236 1.00 0.00 C ATOM 1474 C GLN A 100 0.728 -6.574 -1.172 1.00 0.00 C ATOM 1475 O GLN A 100 -0.368 -6.539 -1.730 1.00 0.00 O ATOM 1476 CB GLN A 100 0.244 -6.945 1.254 1.00 0.00 C ATOM 1477 CG GLN A 100 0.768 -8.371 1.207 1.00 0.00 C ATOM 1478 CD GLN A 100 0.180 -9.245 2.297 1.00 0.00 C ATOM 1479 OE1 GLN A 100 -0.940 -9.016 2.756 1.00 0.00 O ATOM 1480 NE2 GLN A 100 0.933 -10.254 2.719 1.00 0.00 N ATOM 0 H GLN A 100 -0.671 -4.639 0.340 1.00 0.00 H new ATOM 0 HA GLN A 100 1.973 -5.956 0.451 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.399 -6.543 2.255 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.832 -6.956 1.078 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.539 -8.806 0.234 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.854 -8.358 1.303 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.855 -10.408 2.311 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.589 -10.876 3.451 1.00 0.00 H new ATOM 1489 N ALA A 101 1.813 -7.088 -1.741 1.00 0.00 N ATOM 1490 CA ALA A 101 1.776 -7.656 -3.083 1.00 0.00 C ATOM 1491 C ALA A 101 1.600 -9.170 -3.034 1.00 0.00 C ATOM 1492 O ALA A 101 2.311 -9.863 -2.308 1.00 0.00 O ATOM 1493 CB ALA A 101 3.043 -7.294 -3.844 1.00 0.00 C ATOM 0 H ALA A 101 2.729 -7.123 -1.293 1.00 0.00 H new ATOM 0 HA ALA A 101 0.918 -7.234 -3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.002 -7.725 -4.845 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.125 -6.210 -3.919 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.911 -7.688 -3.315 1.00 0.00 H new ATOM 1499 N GLU A 102 0.647 -9.675 -3.812 1.00 0.00 N ATOM 1500 CA GLU A 102 0.377 -11.108 -3.855 1.00 0.00 C ATOM 1501 C GLU A 102 0.253 -11.595 -5.296 1.00 0.00 C ATOM 1502 O GLU A 102 -0.489 -11.022 -6.094 1.00 0.00 O ATOM 1503 CB GLU A 102 -0.903 -11.431 -3.083 1.00 0.00 C ATOM 1504 CG GLU A 102 -1.546 -12.745 -3.494 1.00 0.00 C ATOM 1505 CD GLU A 102 -2.529 -12.582 -4.636 1.00 0.00 C ATOM 1506 OE1 GLU A 102 -3.470 -11.773 -4.499 1.00 0.00 O ATOM 1507 OE2 GLU A 102 -2.357 -13.264 -5.668 1.00 0.00 O ATOM 0 H GLU A 102 0.050 -9.114 -4.420 1.00 0.00 H new ATOM 0 HA GLU A 102 1.215 -11.624 -3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.676 -11.465 -2.017 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.620 -10.623 -3.231 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.768 -13.450 -3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.060 -13.177 -2.636 1.00 0.00 H new ATOM 1514 N TYR A 103 0.984 -12.655 -5.620 1.00 0.00 N ATOM 1515 CA TYR A 103 0.958 -13.218 -6.965 1.00 0.00 C ATOM 1516 C TYR A 103 1.113 -14.736 -6.923 1.00 0.00 C ATOM 1517 O TYR A 103 1.981 -15.263 -6.229 1.00 0.00 O ATOM 1518 CB TYR A 103 2.068 -12.604 -7.819 1.00 0.00 C ATOM 1519 CG TYR A 103 1.775 -12.627 -9.302 1.00 0.00 C ATOM 1520 CD1 TYR A 103 1.808 -13.817 -10.019 1.00 0.00 C ATOM 1521 CD2 TYR A 103 1.463 -11.459 -9.986 1.00 0.00 C ATOM 1522 CE1 TYR A 103 1.541 -13.842 -11.374 1.00 0.00 C ATOM 1523 CE2 TYR A 103 1.193 -11.475 -11.341 1.00 0.00 C ATOM 1524 CZ TYR A 103 1.234 -12.669 -12.030 1.00 0.00 C ATOM 1525 OH TYR A 103 0.966 -12.690 -13.380 1.00 0.00 O ATOM 0 H TYR A 103 1.602 -13.142 -4.970 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.008 -12.982 -7.412 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.228 -11.573 -7.505 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.998 -13.142 -7.633 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.047 -14.738 -9.508 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.431 -10.522 -9.449 1.00 0.00 H new ATOM 0 HE1 TYR A 103 1.573 -14.775 -11.917 1.00 0.00 H new ATOM 0 HE2 TYR A 103 0.951 -10.558 -11.858 1.00 0.00 H new ATOM 0 HH TYR A 103 0.767 -11.781 -13.688 1.00 0.00 H new ATOM 1535 N ASN A 104 0.265 -15.431 -7.673 1.00 0.00 N ATOM 1536 CA ASN A 104 0.307 -16.888 -7.723 1.00 0.00 C ATOM 1537 C ASN A 104 0.009 -17.488 -6.352 1.00 0.00 C ATOM 1538 O ASN A 104 0.560 -18.526 -5.984 1.00 0.00 O ATOM 1539 CB ASN A 104 1.676 -17.364 -8.213 1.00 0.00 C ATOM 1540 CG ASN A 104 1.621 -18.749 -8.827 1.00 0.00 C ATOM 1541 OD1 ASN A 104 1.213 -19.712 -8.177 1.00 0.00 O ATOM 1542 ND2 ASN A 104 2.034 -18.856 -10.085 1.00 0.00 N ATOM 0 H ASN A 104 -0.459 -15.009 -8.254 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.459 -17.224 -8.422 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.061 -16.658 -8.949 1.00 0.00 H new ATOM 0 HB3 ASN A 104 2.377 -17.367 -7.378 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.021 -19.763 -10.551 1.00 0.00 H new ATOM 0 HD22 ASN A 104 2.364 -18.031 -10.585 1.00 0.00 H new ATOM 1549 N SER A 105 -0.868 -16.829 -5.601 1.00 0.00 N ATOM 1550 CA SER A 105 -1.237 -17.295 -4.270 1.00 0.00 C ATOM 1551 C SER A 105 -0.041 -17.243 -3.325 1.00 0.00 C ATOM 1552 O SER A 105 0.057 -18.033 -2.385 1.00 0.00 O ATOM 1553 CB SER A 105 -1.785 -18.721 -4.340 1.00 0.00 C ATOM 1554 OG SER A 105 -2.636 -18.995 -3.240 1.00 0.00 O ATOM 0 H SER A 105 -1.336 -15.971 -5.892 1.00 0.00 H new ATOM 0 HA SER A 105 -2.012 -16.634 -3.883 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.334 -18.858 -5.272 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.958 -19.432 -4.350 1.00 0.00 H new ATOM 0 HG SER A 105 -2.154 -18.827 -2.404 1.00 0.00 H new ATOM 1560 N ILE A 106 0.868 -16.307 -3.581 1.00 0.00 N ATOM 1561 CA ILE A 106 2.057 -16.151 -2.753 1.00 0.00 C ATOM 1562 C ILE A 106 2.052 -14.807 -2.032 1.00 0.00 C ATOM 1563 O ILE A 106 2.270 -13.761 -2.643 1.00 0.00 O ATOM 1564 CB ILE A 106 3.345 -16.267 -3.590 1.00 0.00 C ATOM 1565 CG1 ILE A 106 3.431 -17.647 -4.245 1.00 0.00 C ATOM 1566 CG2 ILE A 106 4.566 -16.010 -2.721 1.00 0.00 C ATOM 1567 CD1 ILE A 106 4.442 -17.721 -5.368 1.00 0.00 C ATOM 0 H ILE A 106 0.803 -15.646 -4.355 1.00 0.00 H new ATOM 0 HA ILE A 106 2.038 -16.955 -2.018 1.00 0.00 H new ATOM 0 HB ILE A 106 3.319 -15.513 -4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.689 -18.385 -3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.449 -17.918 -4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.468 -16.096 -3.327 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.507 -15.007 -2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.599 -16.743 -1.915 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.449 -18.728 -5.786 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.174 -17.007 -6.147 1.00 0.00 H new ATOM 0 HD13 ILE A 106 5.433 -17.481 -4.982 1.00 0.00 H new ATOM 1579 N LYS A 107 1.804 -14.844 -0.727 1.00 0.00 N ATOM 1580 CA LYS A 107 1.774 -13.630 0.080 1.00 0.00 C ATOM 1581 C LYS A 107 3.138 -13.358 0.706 1.00 0.00 C ATOM 1582 O LYS A 107 3.656 -14.173 1.469 1.00 0.00 O ATOM 1583 CB LYS A 107 0.713 -13.749 1.177 1.00 0.00 C ATOM 1584 CG LYS A 107 -0.710 -13.783 0.646 1.00 0.00 C ATOM 1585 CD LYS A 107 -1.722 -13.905 1.772 1.00 0.00 C ATOM 1586 CE LYS A 107 -3.146 -13.742 1.261 1.00 0.00 C ATOM 1587 NZ LYS A 107 -4.138 -14.379 2.171 1.00 0.00 N ATOM 0 H LYS A 107 1.621 -15.701 -0.206 1.00 0.00 H new ATOM 0 HA LYS A 107 1.521 -12.795 -0.574 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.899 -14.655 1.753 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.816 -12.908 1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.908 -12.876 0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.824 -14.623 -0.039 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.616 -14.877 2.254 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.517 -13.149 2.530 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.376 -12.681 1.158 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.228 -14.184 0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.096 -14.246 1.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.934 -15.396 2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.078 -13.940 3.112 1.00 0.00 H new ATOM 1601 N GLY A 108 3.716 -12.207 0.378 1.00 0.00 N ATOM 1602 CA GLY A 108 5.015 -11.848 0.917 1.00 0.00 C ATOM 1603 C GLY A 108 4.908 -10.994 2.165 1.00 0.00 C ATOM 1604 O GLY A 108 4.349 -11.423 3.175 1.00 0.00 O ATOM 0 H GLY A 108 3.308 -11.516 -0.252 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.573 -12.756 1.148 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.583 -11.309 0.159 1.00 0.00 H new ATOM 1608 N THR A 109 5.447 -9.780 2.098 1.00 0.00 N ATOM 1609 CA THR A 109 5.413 -8.865 3.231 1.00 0.00 C ATOM 1610 C THR A 109 5.085 -7.445 2.782 1.00 0.00 C ATOM 1611 O THR A 109 5.590 -6.956 1.771 1.00 0.00 O ATOM 1612 CB THR A 109 6.756 -8.854 3.986 1.00 0.00 C ATOM 1613 OG1 THR A 109 7.104 -10.185 4.385 1.00 0.00 O ATOM 1614 CG2 THR A 109 6.681 -7.955 5.211 1.00 0.00 C ATOM 0 H THR A 109 5.912 -9.408 1.270 1.00 0.00 H new ATOM 0 HA THR A 109 4.631 -9.222 3.901 1.00 0.00 H new ATOM 0 HB THR A 109 7.522 -8.464 3.315 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.959 -10.170 4.863 1.00 0.00 H new ATOM 0 HG21 THR A 109 7.641 -7.963 5.728 1.00 0.00 H new ATOM 0 HG22 THR A 109 6.444 -6.937 4.901 1.00 0.00 H new ATOM 0 HG23 THR A 109 5.904 -8.320 5.883 1.00 0.00 H new ATOM 1622 N PRO A 110 4.219 -6.766 3.549 1.00 0.00 N ATOM 1623 CA PRO A 110 3.805 -5.392 3.249 1.00 0.00 C ATOM 1624 C PRO A 110 4.933 -4.388 3.462 1.00 0.00 C ATOM 1625 O PRO A 110 5.790 -4.576 4.324 1.00 0.00 O ATOM 1626 CB PRO A 110 2.669 -5.139 4.244 1.00 0.00 C ATOM 1627 CG PRO A 110 2.944 -6.067 5.376 1.00 0.00 C ATOM 1628 CD PRO A 110 3.578 -7.287 4.768 1.00 0.00 C ATOM 0 HA PRO A 110 3.511 -5.273 2.206 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.658 -4.101 4.577 1.00 0.00 H new ATOM 0 HB3 PRO A 110 1.697 -5.340 3.794 1.00 0.00 H new ATOM 0 HG2 PRO A 110 3.608 -5.605 6.106 1.00 0.00 H new ATOM 0 HG3 PRO A 110 2.024 -6.326 5.901 1.00 0.00 H new ATOM 0 HD2 PRO A 110 4.305 -7.740 5.442 1.00 0.00 H new ATOM 0 HD3 PRO A 110 2.837 -8.052 4.537 1.00 0.00 H new ATOM 1636 N SER A 111 4.925 -3.320 2.670 1.00 0.00 N ATOM 1637 CA SER A 111 5.949 -2.287 2.770 1.00 0.00 C ATOM 1638 C SER A 111 5.803 -1.500 4.068 1.00 0.00 C ATOM 1639 O SER A 111 4.936 -1.795 4.890 1.00 0.00 O ATOM 1640 CB SER A 111 5.865 -1.338 1.573 1.00 0.00 C ATOM 1641 OG SER A 111 4.519 -1.137 1.175 1.00 0.00 O ATOM 0 H SER A 111 4.221 -3.148 1.952 1.00 0.00 H new ATOM 0 HA SER A 111 6.923 -2.776 2.770 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.318 -0.381 1.831 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.437 -1.747 0.740 1.00 0.00 H new ATOM 0 HG SER A 111 4.012 -0.750 1.919 1.00 0.00 H new ATOM 1647 N GLU A 112 6.658 -0.498 4.245 1.00 0.00 N ATOM 1648 CA GLU A 112 6.625 0.331 5.444 1.00 0.00 C ATOM 1649 C GLU A 112 5.222 0.882 5.686 1.00 0.00 C ATOM 1650 O GLU A 112 4.285 0.564 4.955 1.00 0.00 O ATOM 1651 CB GLU A 112 7.623 1.484 5.322 1.00 0.00 C ATOM 1652 CG GLU A 112 9.062 1.074 5.588 1.00 0.00 C ATOM 1653 CD GLU A 112 10.033 2.231 5.455 1.00 0.00 C ATOM 1654 OE1 GLU A 112 10.132 3.034 6.406 1.00 0.00 O ATOM 1655 OE2 GLU A 112 10.692 2.334 4.399 1.00 0.00 O ATOM 0 H GLU A 112 7.382 -0.241 3.574 1.00 0.00 H new ATOM 0 HA GLU A 112 6.904 -0.293 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.554 1.909 4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.343 2.271 6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.137 0.655 6.592 1.00 0.00 H new ATOM 0 HG3 GLU A 112 9.346 0.285 4.892 1.00 0.00 H new ATOM 1662 N ALA A 113 5.088 1.709 6.717 1.00 0.00 N ATOM 1663 CA ALA A 113 3.801 2.306 7.055 1.00 0.00 C ATOM 1664 C ALA A 113 3.742 3.766 6.621 1.00 0.00 C ATOM 1665 O ALA A 113 4.706 4.512 6.790 1.00 0.00 O ATOM 1666 CB ALA A 113 3.540 2.186 8.550 1.00 0.00 C ATOM 0 H ALA A 113 5.854 1.981 7.333 1.00 0.00 H new ATOM 0 HA ALA A 113 3.024 1.763 6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.576 2.636 8.788 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.530 1.134 8.834 1.00 0.00 H new ATOM 0 HB3 ALA A 113 4.327 2.703 9.099 1.00 0.00 H new ATOM 1672 N GLU A 114 2.605 4.167 6.061 1.00 0.00 N ATOM 1673 CA GLU A 114 2.423 5.539 5.601 1.00 0.00 C ATOM 1674 C GLU A 114 1.220 6.185 6.282 1.00 0.00 C ATOM 1675 O GLU A 114 0.076 5.796 6.044 1.00 0.00 O ATOM 1676 CB GLU A 114 2.241 5.571 4.082 1.00 0.00 C ATOM 1677 CG GLU A 114 2.011 6.966 3.526 1.00 0.00 C ATOM 1678 CD GLU A 114 0.633 7.506 3.856 1.00 0.00 C ATOM 1679 OE1 GLU A 114 -0.362 6.929 3.372 1.00 0.00 O ATOM 1680 OE2 GLU A 114 0.551 8.506 4.600 1.00 0.00 O ATOM 0 H GLU A 114 1.797 3.562 5.915 1.00 0.00 H new ATOM 0 HA GLU A 114 3.316 6.106 5.865 1.00 0.00 H new ATOM 0 HB2 GLU A 114 3.125 5.142 3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.396 4.938 3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.767 7.642 3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.140 6.948 2.444 1.00 0.00 H new ATOM 1687 N ILE A 115 1.487 7.173 7.129 1.00 0.00 N ATOM 1688 CA ILE A 115 0.428 7.874 7.844 1.00 0.00 C ATOM 1689 C ILE A 115 -0.066 9.079 7.051 1.00 0.00 C ATOM 1690 O ILE A 115 0.716 9.953 6.677 1.00 0.00 O ATOM 1691 CB ILE A 115 0.901 8.345 9.231 1.00 0.00 C ATOM 1692 CG1 ILE A 115 -0.174 9.208 9.895 1.00 0.00 C ATOM 1693 CG2 ILE A 115 2.207 9.116 9.112 1.00 0.00 C ATOM 1694 CD1 ILE A 115 -0.119 9.186 11.407 1.00 0.00 C ATOM 0 H ILE A 115 2.428 7.506 7.337 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.390 7.165 7.970 1.00 0.00 H new ATOM 0 HB ILE A 115 1.074 7.469 9.856 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.066 10.237 9.551 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.156 8.864 9.570 1.00 0.00 H new ATOM 0 HG21 ILE A 115 2.528 9.442 10.101 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.971 8.472 8.676 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.059 9.987 8.473 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.910 9.820 11.809 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.257 8.164 11.761 1.00 0.00 H new ATOM 0 HD13 ILE A 115 0.849 9.558 11.741 1.00 0.00 H new ATOM 1706 N PHE A 116 -1.370 9.120 6.799 1.00 0.00 N ATOM 1707 CA PHE A 116 -1.970 10.219 6.051 1.00 0.00 C ATOM 1708 C PHE A 116 -3.221 10.737 6.755 1.00 0.00 C ATOM 1709 O PHE A 116 -4.185 9.999 6.957 1.00 0.00 O ATOM 1710 CB PHE A 116 -2.320 9.767 4.632 1.00 0.00 C ATOM 1711 CG PHE A 116 -3.424 8.750 4.582 1.00 0.00 C ATOM 1712 CD1 PHE A 116 -4.747 9.149 4.487 1.00 0.00 C ATOM 1713 CD2 PHE A 116 -3.138 7.395 4.628 1.00 0.00 C ATOM 1714 CE1 PHE A 116 -5.765 8.215 4.441 1.00 0.00 C ATOM 1715 CE2 PHE A 116 -4.152 6.457 4.583 1.00 0.00 C ATOM 1716 CZ PHE A 116 -5.467 6.868 4.488 1.00 0.00 C ATOM 0 H PHE A 116 -2.032 8.405 7.102 1.00 0.00 H new ATOM 0 HA PHE A 116 -1.243 11.029 5.998 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.611 10.637 4.044 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.430 9.348 4.163 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -4.986 10.202 4.448 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -2.111 7.068 4.700 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -6.793 8.539 4.368 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.916 5.404 4.622 1.00 0.00 H new ATOM 0 HZ PHE A 116 -6.261 6.137 4.451 1.00 0.00 H new ATOM 1726 N THR A 117 -3.198 12.014 7.127 1.00 0.00 N ATOM 1727 CA THR A 117 -4.327 12.631 7.809 1.00 0.00 C ATOM 1728 C THR A 117 -5.350 13.162 6.811 1.00 0.00 C ATOM 1729 O THR A 117 -5.002 13.879 5.872 1.00 0.00 O ATOM 1730 CB THR A 117 -3.870 13.785 8.721 1.00 0.00 C ATOM 1731 OG1 THR A 117 -2.782 13.356 9.547 1.00 0.00 O ATOM 1732 CG2 THR A 117 -5.016 14.271 9.596 1.00 0.00 C ATOM 0 H THR A 117 -2.409 12.640 6.967 1.00 0.00 H new ATOM 0 HA THR A 117 -4.789 11.855 8.420 1.00 0.00 H new ATOM 0 HB THR A 117 -3.542 14.610 8.088 1.00 0.00 H new ATOM 0 HG1 THR A 117 -2.496 14.096 10.122 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.669 15.086 10.231 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.831 14.625 8.965 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.371 13.451 10.220 1.00 0.00 H new ATOM 1740 N THR A 118 -6.614 12.807 7.019 1.00 0.00 N ATOM 1741 CA THR A 118 -7.687 13.247 6.137 1.00 0.00 C ATOM 1742 C THR A 118 -8.321 14.537 6.644 1.00 0.00 C ATOM 1743 O THR A 118 -8.288 14.829 7.840 1.00 0.00 O ATOM 1744 CB THR A 118 -8.780 12.170 6.000 1.00 0.00 C ATOM 1745 OG1 THR A 118 -9.348 11.884 7.283 1.00 0.00 O ATOM 1746 CG2 THR A 118 -8.210 10.895 5.397 1.00 0.00 C ATOM 0 H THR A 118 -6.920 12.215 7.792 1.00 0.00 H new ATOM 0 HA THR A 118 -7.239 13.425 5.159 1.00 0.00 H new ATOM 0 HB THR A 118 -9.556 12.552 5.336 1.00 0.00 H new ATOM 0 HG1 THR A 118 -9.342 10.916 7.435 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.000 10.149 5.310 1.00 0.00 H new ATOM 0 HG22 THR A 118 -7.803 11.110 4.409 1.00 0.00 H new ATOM 0 HG23 THR A 118 -7.418 10.511 6.040 1.00 0.00 H new ATOM 1754 N LEU A 119 -8.899 15.307 5.728 1.00 0.00 N ATOM 1755 CA LEU A 119 -9.542 16.567 6.083 1.00 0.00 C ATOM 1756 C LEU A 119 -10.920 16.322 6.691 1.00 0.00 C ATOM 1757 O LEU A 119 -11.392 15.187 6.747 1.00 0.00 O ATOM 1758 CB LEU A 119 -9.668 17.463 4.850 1.00 0.00 C ATOM 1759 CG LEU A 119 -9.845 16.744 3.512 1.00 0.00 C ATOM 1760 CD1 LEU A 119 -10.643 17.604 2.545 1.00 0.00 C ATOM 1761 CD2 LEU A 119 -8.492 16.384 2.917 1.00 0.00 C ATOM 0 H LEU A 119 -8.935 15.081 4.734 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.921 17.067 6.826 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -10.517 18.130 4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.778 18.089 4.788 1.00 0.00 H new ATOM 0 HG LEU A 119 -10.399 15.822 3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.759 17.076 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.626 17.810 2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.117 18.543 2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.637 15.873 1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.912 17.293 2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.956 15.728 3.603 1.00 0.00 H new ATOM 1773 N SER A 120 -11.561 17.396 7.142 1.00 0.00 N ATOM 1774 CA SER A 120 -12.884 17.298 7.747 1.00 0.00 C ATOM 1775 C SER A 120 -13.975 17.412 6.687 1.00 0.00 C ATOM 1776 O SER A 120 -13.793 18.066 5.660 1.00 0.00 O ATOM 1777 CB SER A 120 -13.067 18.389 8.803 1.00 0.00 C ATOM 1778 OG SER A 120 -13.353 19.640 8.201 1.00 0.00 O ATOM 0 H SER A 120 -11.186 18.343 7.100 1.00 0.00 H new ATOM 0 HA SER A 120 -12.967 16.322 8.225 1.00 0.00 H new ATOM 0 HB2 SER A 120 -13.877 18.113 9.478 1.00 0.00 H new ATOM 0 HB3 SER A 120 -12.163 18.471 9.406 1.00 0.00 H new ATOM 0 HG SER A 120 -13.467 20.320 8.898 1.00 0.00 H new ATOM 1784 N CYS A 121 -15.110 16.771 6.945 1.00 0.00 N ATOM 1785 CA CYS A 121 -16.232 16.799 6.013 1.00 0.00 C ATOM 1786 C CYS A 121 -16.365 18.172 5.363 1.00 0.00 C ATOM 1787 O CYS A 121 -16.685 18.281 4.180 1.00 0.00 O ATOM 1788 CB CYS A 121 -17.530 16.435 6.735 1.00 0.00 C ATOM 1789 SG CYS A 121 -17.875 17.450 8.191 1.00 0.00 S ATOM 0 H CYS A 121 -15.277 16.226 7.791 1.00 0.00 H new ATOM 0 HA CYS A 121 -16.041 16.064 5.231 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -18.361 16.528 6.035 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -17.484 15.389 7.037 1.00 0.00 H new ATOM 0 HG CYS A 121 -18.994 17.068 8.731 1.00 0.00 H new