USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 413 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 1 TYR OH : rot 180:sc= 0.311 USER MOD Set 1.2: A 35 THR OG1 : rot 79:sc= 0.0027 USER MOD Single : A 7 GLN : amide:sc= -0.134 K(o=-0.13,f=-1.8!) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 12 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.104) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -2.48! C(o=-2.5!,f=-5.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.787 X(o=-0.79,f=-0.33) USER MOD Single : A 38 THR OG1 : rot -61:sc= 0.851 USER MOD Single : A 43 ASN : amide:sc= -0.0187 X(o=-0.019,f=-0.019) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 1.878 29.431 -6.797 1.00 0.00 N ATOM 2 CA GLY A -6 2.353 28.469 -7.775 1.00 0.00 C ATOM 3 C GLY A -6 3.162 27.352 -7.146 1.00 0.00 C ATOM 4 O GLY A -6 4.327 27.541 -6.797 1.00 0.00 O ATOM 0 H1 GLY A -6 1.331 30.174 -7.278 1.00 0.00 H new ATOM 0 H2 GLY A -6 1.272 28.949 -6.102 1.00 0.00 H new ATOM 0 H3 GLY A -6 2.690 29.860 -6.309 1.00 0.00 H new ATOM 0 HA2 GLY A -6 1.501 28.042 -8.304 1.00 0.00 H new ATOM 0 HA3 GLY A -6 2.964 28.982 -8.517 1.00 0.00 H new ATOM 8 N SER A -5 2.542 26.186 -6.998 1.00 0.00 N ATOM 9 CA SER A -5 3.209 25.036 -6.400 1.00 0.00 C ATOM 10 C SER A -5 3.176 23.837 -7.344 1.00 0.00 C ATOM 11 O SER A -5 2.160 23.565 -7.983 1.00 0.00 O ATOM 12 CB SER A -5 2.548 24.670 -5.070 1.00 0.00 C ATOM 13 OG SER A -5 3.132 23.504 -4.514 1.00 0.00 O ATOM 0 H SER A -5 1.578 26.013 -7.284 1.00 0.00 H new ATOM 0 HA SER A -5 4.249 25.305 -6.218 1.00 0.00 H new ATOM 0 HB2 SER A -5 2.648 25.500 -4.370 1.00 0.00 H new ATOM 0 HB3 SER A -5 1.481 24.509 -5.223 1.00 0.00 H new ATOM 0 HG SER A -5 2.693 23.292 -3.664 1.00 0.00 H new ATOM 19 N SER A -4 4.295 23.125 -7.425 1.00 0.00 N ATOM 20 CA SER A -4 4.396 21.957 -8.293 1.00 0.00 C ATOM 21 C SER A -4 3.637 20.773 -7.702 1.00 0.00 C ATOM 22 O SER A -4 4.220 19.916 -7.040 1.00 0.00 O ATOM 23 CB SER A -4 5.864 21.581 -8.508 1.00 0.00 C ATOM 24 OG SER A -4 6.524 22.542 -9.314 1.00 0.00 O ATOM 0 H SER A -4 5.144 23.336 -6.901 1.00 0.00 H new ATOM 0 HA SER A -4 3.948 22.209 -9.254 1.00 0.00 H new ATOM 0 HB2 SER A -4 6.367 21.503 -7.544 1.00 0.00 H new ATOM 0 HB3 SER A -4 5.926 20.601 -8.981 1.00 0.00 H new ATOM 0 HG SER A -4 7.460 22.280 -9.435 1.00 0.00 H new ATOM 30 N GLY A -3 2.331 20.734 -7.948 1.00 0.00 N ATOM 31 CA GLY A -3 1.512 19.652 -7.433 1.00 0.00 C ATOM 32 C GLY A -3 1.307 18.546 -8.450 1.00 0.00 C ATOM 33 O GLY A -3 0.740 18.773 -9.518 1.00 0.00 O ATOM 0 H GLY A -3 1.826 21.432 -8.494 1.00 0.00 H new ATOM 0 HA2 GLY A -3 1.981 19.238 -6.540 1.00 0.00 H new ATOM 0 HA3 GLY A -3 0.542 20.047 -7.130 1.00 0.00 H new ATOM 37 N SER A -2 1.772 17.346 -8.118 1.00 0.00 N ATOM 38 CA SER A -2 1.642 16.201 -9.012 1.00 0.00 C ATOM 39 C SER A -2 0.977 15.027 -8.299 1.00 0.00 C ATOM 40 O SER A -2 1.194 14.807 -7.108 1.00 0.00 O ATOM 41 CB SER A -2 3.015 15.781 -9.539 1.00 0.00 C ATOM 42 OG SER A -2 3.626 16.832 -10.267 1.00 0.00 O ATOM 0 H SER A -2 2.242 17.141 -7.236 1.00 0.00 H new ATOM 0 HA SER A -2 1.013 16.496 -9.852 1.00 0.00 H new ATOM 0 HB2 SER A -2 3.655 15.492 -8.705 1.00 0.00 H new ATOM 0 HB3 SER A -2 2.910 14.905 -10.179 1.00 0.00 H new ATOM 0 HG SER A -2 4.503 16.539 -10.591 1.00 0.00 H new ATOM 48 N SER A -1 0.166 14.277 -9.038 1.00 0.00 N ATOM 49 CA SER A -1 -0.534 13.127 -8.477 1.00 0.00 C ATOM 50 C SER A -1 0.396 11.922 -8.373 1.00 0.00 C ATOM 51 O SER A -1 1.482 11.910 -8.951 1.00 0.00 O ATOM 52 CB SER A -1 -1.750 12.775 -9.337 1.00 0.00 C ATOM 53 OG SER A -1 -1.360 12.439 -10.657 1.00 0.00 O ATOM 0 H SER A -1 -0.023 14.445 -10.026 1.00 0.00 H new ATOM 0 HA SER A -1 -0.871 13.391 -7.474 1.00 0.00 H new ATOM 0 HB2 SER A -1 -2.287 11.939 -8.889 1.00 0.00 H new ATOM 0 HB3 SER A -1 -2.439 13.619 -9.362 1.00 0.00 H new ATOM 0 HG SER A -1 -2.154 12.216 -11.186 1.00 0.00 H new ATOM 59 N GLY A 0 -0.040 10.909 -7.631 1.00 0.00 N ATOM 60 CA GLY A 0 0.765 9.713 -7.463 1.00 0.00 C ATOM 61 C GLY A 0 0.792 9.229 -6.027 1.00 0.00 C ATOM 62 O GLY A 0 0.709 10.027 -5.094 1.00 0.00 O ATOM 0 H GLY A 0 -0.936 10.895 -7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 0 0.373 8.922 -8.102 1.00 0.00 H new ATOM 0 HA3 GLY A 0 1.784 9.915 -7.794 1.00 0.00 H new ATOM 66 N TYR A 1 0.906 7.917 -5.849 1.00 0.00 N ATOM 67 CA TYR A 1 0.940 7.328 -4.516 1.00 0.00 C ATOM 68 C TYR A 1 2.373 7.028 -4.088 1.00 0.00 C ATOM 69 O TYR A 1 2.655 5.977 -3.514 1.00 0.00 O ATOM 70 CB TYR A 1 0.107 6.045 -4.482 1.00 0.00 C ATOM 71 CG TYR A 1 -1.384 6.290 -4.524 1.00 0.00 C ATOM 72 CD1 TYR A 1 -2.019 7.010 -3.520 1.00 0.00 C ATOM 73 CD2 TYR A 1 -2.159 5.801 -5.570 1.00 0.00 C ATOM 74 CE1 TYR A 1 -3.382 7.235 -3.555 1.00 0.00 C ATOM 75 CE2 TYR A 1 -3.522 6.023 -5.613 1.00 0.00 C ATOM 76 CZ TYR A 1 -4.128 6.740 -4.603 1.00 0.00 C ATOM 77 OH TYR A 1 -5.486 6.964 -4.642 1.00 0.00 O ATOM 0 H TYR A 1 0.976 7.242 -6.611 1.00 0.00 H new ATOM 0 HA TYR A 1 0.515 8.049 -3.817 1.00 0.00 H new ATOM 0 HB2 TYR A 1 0.388 5.417 -5.328 1.00 0.00 H new ATOM 0 HB3 TYR A 1 0.350 5.488 -3.577 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -1.438 7.401 -2.698 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -1.688 5.238 -6.362 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -3.860 7.796 -2.765 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -4.109 5.637 -6.433 1.00 0.00 H new ATOM 0 HH TYR A 1 -5.863 6.550 -5.446 1.00 0.00 H new ATOM 87 N GLY A 2 3.276 7.962 -4.372 1.00 0.00 N ATOM 88 CA GLY A 2 4.670 7.781 -4.011 1.00 0.00 C ATOM 89 C GLY A 2 4.995 8.359 -2.647 1.00 0.00 C ATOM 90 O GLY A 2 5.461 7.646 -1.759 1.00 0.00 O ATOM 0 H GLY A 2 3.067 8.841 -4.846 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.909 6.718 -4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.301 8.254 -4.763 1.00 0.00 H new ATOM 94 N ALA A 3 4.749 9.654 -2.482 1.00 0.00 N ATOM 95 CA ALA A 3 5.018 10.327 -1.217 1.00 0.00 C ATOM 96 C ALA A 3 4.634 9.446 -0.034 1.00 0.00 C ATOM 97 O ALA A 3 5.305 9.450 0.999 1.00 0.00 O ATOM 98 CB ALA A 3 4.272 11.652 -1.155 1.00 0.00 C ATOM 0 H ALA A 3 4.364 10.258 -3.208 1.00 0.00 H new ATOM 0 HA ALA A 3 6.089 10.522 -1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.482 12.144 -0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.598 12.292 -1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.201 11.471 -1.241 1.00 0.00 H new ATOM 104 N TRP A 4 3.552 8.692 -0.190 1.00 0.00 N ATOM 105 CA TRP A 4 3.079 7.806 0.867 1.00 0.00 C ATOM 106 C TRP A 4 4.228 6.990 1.448 1.00 0.00 C ATOM 107 O TRP A 4 5.352 7.039 0.948 1.00 0.00 O ATOM 108 CB TRP A 4 1.994 6.871 0.330 1.00 0.00 C ATOM 109 CG TRP A 4 0.687 7.561 0.078 1.00 0.00 C ATOM 110 CD1 TRP A 4 0.507 8.855 -0.317 1.00 0.00 C ATOM 111 CD2 TRP A 4 -0.620 6.992 0.207 1.00 0.00 C ATOM 112 NE1 TRP A 4 -0.835 9.126 -0.442 1.00 0.00 N ATOM 113 CE2 TRP A 4 -1.547 7.999 -0.128 1.00 0.00 C ATOM 114 CE3 TRP A 4 -1.099 5.730 0.569 1.00 0.00 C ATOM 115 CZ2 TRP A 4 -2.922 7.781 -0.108 1.00 0.00 C ATOM 116 CZ3 TRP A 4 -2.464 5.515 0.589 1.00 0.00 C ATOM 117 CH2 TRP A 4 -3.362 6.536 0.251 1.00 0.00 C ATOM 0 H TRP A 4 2.986 8.676 -1.038 1.00 0.00 H new ATOM 0 HA TRP A 4 2.657 8.422 1.661 1.00 0.00 H new ATOM 0 HB2 TRP A 4 2.342 6.417 -0.598 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.838 6.061 1.042 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.302 9.562 -0.504 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -1.235 10.021 -0.723 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.414 4.936 0.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -3.617 8.567 -0.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -2.845 4.544 0.870 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -4.423 6.336 0.274 1.00 0.00 H new ATOM 128 N ALA A 5 3.940 6.239 2.506 1.00 0.00 N ATOM 129 CA ALA A 5 4.949 5.411 3.154 1.00 0.00 C ATOM 130 C ALA A 5 4.508 3.952 3.210 1.00 0.00 C ATOM 131 O ALA A 5 3.317 3.657 3.295 1.00 0.00 O ATOM 132 CB ALA A 5 5.241 5.931 4.553 1.00 0.00 C ATOM 0 H ALA A 5 3.015 6.187 2.933 1.00 0.00 H new ATOM 0 HA ALA A 5 5.862 5.465 2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.996 5.302 5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.608 6.955 4.491 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.328 5.908 5.148 1.00 0.00 H new ATOM 138 N ALA A 6 5.477 3.043 3.162 1.00 0.00 N ATOM 139 CA ALA A 6 5.189 1.616 3.209 1.00 0.00 C ATOM 140 C ALA A 6 4.031 1.321 4.156 1.00 0.00 C ATOM 141 O ALA A 6 3.116 0.570 3.817 1.00 0.00 O ATOM 142 CB ALA A 6 6.428 0.840 3.630 1.00 0.00 C ATOM 0 H ALA A 6 6.469 3.271 3.091 1.00 0.00 H new ATOM 0 HA ALA A 6 4.897 1.297 2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.197 -0.225 3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.229 1.017 2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.746 1.171 4.619 1.00 0.00 H new ATOM 148 N GLN A 7 4.078 1.915 5.344 1.00 0.00 N ATOM 149 CA GLN A 7 3.032 1.714 6.340 1.00 0.00 C ATOM 150 C GLN A 7 1.678 2.170 5.808 1.00 0.00 C ATOM 151 O GLN A 7 0.706 1.415 5.829 1.00 0.00 O ATOM 152 CB GLN A 7 3.370 2.472 7.625 1.00 0.00 C ATOM 153 CG GLN A 7 4.315 1.717 8.546 1.00 0.00 C ATOM 154 CD GLN A 7 5.101 2.638 9.458 1.00 0.00 C ATOM 155 OE1 GLN A 7 5.343 3.800 9.127 1.00 0.00 O ATOM 156 NE2 GLN A 7 5.504 2.125 10.614 1.00 0.00 N ATOM 0 H GLN A 7 4.829 2.539 5.640 1.00 0.00 H new ATOM 0 HA GLN A 7 2.975 0.648 6.559 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.819 3.430 7.364 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.447 2.688 8.163 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.742 1.015 9.151 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.008 1.128 7.945 1.00 0.00 H new ATOM 0 HE21 GLN A 7 5.281 1.157 10.848 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.036 2.698 11.268 1.00 0.00 H new ATOM 165 N GLU A 8 1.622 3.410 5.331 1.00 0.00 N ATOM 166 CA GLU A 8 0.386 3.966 4.794 1.00 0.00 C ATOM 167 C GLU A 8 -0.178 3.075 3.691 1.00 0.00 C ATOM 168 O GLU A 8 -1.286 2.550 3.807 1.00 0.00 O ATOM 169 CB GLU A 8 0.628 5.376 4.252 1.00 0.00 C ATOM 170 CG GLU A 8 0.826 6.420 5.338 1.00 0.00 C ATOM 171 CD GLU A 8 1.605 5.887 6.524 1.00 0.00 C ATOM 172 OE1 GLU A 8 2.780 5.506 6.341 1.00 0.00 O ATOM 173 OE2 GLU A 8 1.040 5.851 7.637 1.00 0.00 O ATOM 0 H GLU A 8 2.418 4.048 5.306 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.342 4.016 5.604 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.507 5.363 3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.218 5.667 3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.351 7.279 4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.147 6.775 5.677 1.00 0.00 H new ATOM 180 N LEU A 9 0.592 2.910 2.621 1.00 0.00 N ATOM 181 CA LEU A 9 0.171 2.083 1.495 1.00 0.00 C ATOM 182 C LEU A 9 -0.343 0.729 1.976 1.00 0.00 C ATOM 183 O LEU A 9 -1.448 0.315 1.627 1.00 0.00 O ATOM 184 CB LEU A 9 1.332 1.883 0.521 1.00 0.00 C ATOM 185 CG LEU A 9 1.955 3.157 -0.052 1.00 0.00 C ATOM 186 CD1 LEU A 9 3.331 2.866 -0.629 1.00 0.00 C ATOM 187 CD2 LEU A 9 1.047 3.764 -1.112 1.00 0.00 C ATOM 0 H LEU A 9 1.511 3.338 2.509 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.641 2.598 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.113 1.317 1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.982 1.269 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 9 2.069 3.879 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.758 3.784 -1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.980 2.478 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.243 2.127 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.506 4.670 -1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.901 3.047 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.083 4.011 -0.667 1.00 0.00 H new ATOM 199 N GLN A 10 0.466 0.047 2.780 1.00 0.00 N ATOM 200 CA GLN A 10 0.092 -1.259 3.310 1.00 0.00 C ATOM 201 C GLN A 10 -1.244 -1.188 4.041 1.00 0.00 C ATOM 202 O GLN A 10 -2.118 -2.031 3.842 1.00 0.00 O ATOM 203 CB GLN A 10 1.177 -1.780 4.254 1.00 0.00 C ATOM 204 CG GLN A 10 2.401 -2.323 3.535 1.00 0.00 C ATOM 205 CD GLN A 10 3.470 -2.814 4.490 1.00 0.00 C ATOM 206 OE1 GLN A 10 3.893 -2.090 5.392 1.00 0.00 O ATOM 207 NE2 GLN A 10 3.913 -4.051 4.299 1.00 0.00 N ATOM 0 H GLN A 10 1.384 0.377 3.079 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.010 -1.947 2.471 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.485 -0.974 4.920 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.755 -2.566 4.880 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.100 -3.142 2.881 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.819 -1.543 2.898 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.535 -4.617 3.539 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.632 -4.436 4.912 1.00 0.00 H new ATOM 216 N ALA A 11 -1.395 -0.176 4.890 1.00 0.00 N ATOM 217 CA ALA A 11 -2.625 0.007 5.650 1.00 0.00 C ATOM 218 C ALA A 11 -3.846 -0.030 4.737 1.00 0.00 C ATOM 219 O ALA A 11 -4.724 -0.880 4.890 1.00 0.00 O ATOM 220 CB ALA A 11 -2.580 1.318 6.421 1.00 0.00 C ATOM 0 H ALA A 11 -0.680 0.529 5.068 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.709 -0.816 6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.505 1.441 6.984 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.735 1.306 7.110 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.467 2.147 5.723 1.00 0.00 H new ATOM 226 N LYS A 12 -3.896 0.897 3.786 1.00 0.00 N ATOM 227 CA LYS A 12 -5.008 0.971 2.847 1.00 0.00 C ATOM 228 C LYS A 12 -5.296 -0.396 2.235 1.00 0.00 C ATOM 229 O LYS A 12 -6.376 -0.957 2.423 1.00 0.00 O ATOM 230 CB LYS A 12 -4.701 1.983 1.740 1.00 0.00 C ATOM 231 CG LYS A 12 -5.147 3.397 2.068 1.00 0.00 C ATOM 232 CD LYS A 12 -6.655 3.484 2.229 1.00 0.00 C ATOM 233 CE LYS A 12 -7.149 4.916 2.090 1.00 0.00 C ATOM 234 NZ LYS A 12 -8.635 4.998 2.149 1.00 0.00 N ATOM 0 H LYS A 12 -3.178 1.608 3.646 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.892 1.297 3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.628 1.985 1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.189 1.661 0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.663 3.728 2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.825 4.074 1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.139 2.857 1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.941 3.093 3.205 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.720 5.527 2.884 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.800 5.331 1.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.942 5.951 1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.047 4.296 1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.955 4.804 3.119 1.00 0.00 H new ATOM 248 N LEU A 13 -4.323 -0.928 1.503 1.00 0.00 N ATOM 249 CA LEU A 13 -4.471 -2.231 0.865 1.00 0.00 C ATOM 250 C LEU A 13 -5.224 -3.199 1.772 1.00 0.00 C ATOM 251 O LEU A 13 -6.280 -3.715 1.406 1.00 0.00 O ATOM 252 CB LEU A 13 -3.099 -2.807 0.512 1.00 0.00 C ATOM 253 CG LEU A 13 -2.275 -2.008 -0.498 1.00 0.00 C ATOM 254 CD1 LEU A 13 -1.074 -2.816 -0.966 1.00 0.00 C ATOM 255 CD2 LEU A 13 -3.137 -1.596 -1.683 1.00 0.00 C ATOM 0 H LEU A 13 -3.423 -0.477 1.337 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.048 -2.096 -0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.519 -2.901 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.240 -3.814 0.120 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.911 -1.105 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.500 -2.231 -1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.444 -3.060 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.417 -3.736 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.534 -1.028 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.531 -2.486 -2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.964 -0.978 -1.334 1.00 0.00 H new ATOM 267 N ALA A 14 -4.674 -3.440 2.957 1.00 0.00 N ATOM 268 CA ALA A 14 -5.296 -4.343 3.918 1.00 0.00 C ATOM 269 C ALA A 14 -6.679 -3.845 4.324 1.00 0.00 C ATOM 270 O ALA A 14 -7.556 -4.636 4.668 1.00 0.00 O ATOM 271 CB ALA A 14 -4.408 -4.501 5.144 1.00 0.00 C ATOM 0 H ALA A 14 -3.799 -3.023 3.275 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.415 -5.316 3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.884 -5.178 5.853 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.443 -4.910 4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.260 -3.529 5.614 1.00 0.00 H new ATOM 277 N GLU A 15 -6.865 -2.529 4.282 1.00 0.00 N ATOM 278 CA GLU A 15 -8.141 -1.927 4.648 1.00 0.00 C ATOM 279 C GLU A 15 -9.246 -2.372 3.693 1.00 0.00 C ATOM 280 O GLU A 15 -10.357 -2.690 4.118 1.00 0.00 O ATOM 281 CB GLU A 15 -8.031 -0.401 4.642 1.00 0.00 C ATOM 282 CG GLU A 15 -9.078 0.288 5.500 1.00 0.00 C ATOM 283 CD GLU A 15 -10.376 0.532 4.754 1.00 0.00 C ATOM 284 OE1 GLU A 15 -10.738 -0.307 3.903 1.00 0.00 O ATOM 285 OE2 GLU A 15 -11.029 1.562 5.022 1.00 0.00 O ATOM 0 H GLU A 15 -6.149 -1.861 3.998 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.396 -2.262 5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.040 -0.115 4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.121 -0.043 3.616 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.279 -0.322 6.381 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.683 1.240 5.854 1.00 0.00 H new ATOM 292 N ILE A 16 -8.932 -2.390 2.402 1.00 0.00 N ATOM 293 CA ILE A 16 -9.897 -2.795 1.388 1.00 0.00 C ATOM 294 C ILE A 16 -9.974 -4.314 1.279 1.00 0.00 C ATOM 295 O ILE A 16 -10.786 -4.853 0.528 1.00 0.00 O ATOM 296 CB ILE A 16 -9.542 -2.211 0.008 1.00 0.00 C ATOM 297 CG1 ILE A 16 -8.088 -2.529 -0.346 1.00 0.00 C ATOM 298 CG2 ILE A 16 -9.780 -0.708 -0.008 1.00 0.00 C ATOM 299 CD1 ILE A 16 -7.713 -2.147 -1.761 1.00 0.00 C ATOM 0 H ILE A 16 -8.017 -2.129 2.034 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.866 -2.405 1.701 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.187 -2.670 -0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.431 -2.006 0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.914 -3.596 -0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.525 -0.310 -0.990 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.829 -0.503 0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.157 -0.233 0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.669 -2.401 -1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.345 -2.689 -2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.854 -1.075 -1.898 1.00 0.00 H new ATOM 311 N GLY A 17 -9.124 -5.001 2.036 1.00 0.00 N ATOM 312 CA GLY A 17 -9.113 -6.452 2.012 1.00 0.00 C ATOM 313 C GLY A 17 -8.117 -7.008 1.013 1.00 0.00 C ATOM 314 O GLY A 17 -8.300 -8.106 0.490 1.00 0.00 O ATOM 0 H GLY A 17 -8.442 -4.578 2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.873 -6.827 3.007 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.111 -6.816 1.767 1.00 0.00 H new ATOM 318 N ALA A 18 -7.061 -6.246 0.747 1.00 0.00 N ATOM 319 CA ALA A 18 -6.032 -6.669 -0.195 1.00 0.00 C ATOM 320 C ALA A 18 -4.750 -7.063 0.532 1.00 0.00 C ATOM 321 O ALA A 18 -4.440 -6.557 1.611 1.00 0.00 O ATOM 322 CB ALA A 18 -5.752 -5.564 -1.202 1.00 0.00 C ATOM 0 H ALA A 18 -6.896 -5.333 1.170 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.400 -7.546 -0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.982 -5.894 -1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.664 -5.333 -1.752 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.409 -4.672 -0.678 1.00 0.00 H new ATOM 328 N PRO A 19 -3.987 -7.986 -0.071 1.00 0.00 N ATOM 329 CA PRO A 19 -2.726 -8.468 0.502 1.00 0.00 C ATOM 330 C PRO A 19 -1.634 -7.405 0.474 1.00 0.00 C ATOM 331 O PRO A 19 -1.362 -6.807 -0.568 1.00 0.00 O ATOM 332 CB PRO A 19 -2.352 -9.644 -0.403 1.00 0.00 C ATOM 333 CG PRO A 19 -3.020 -9.350 -1.702 1.00 0.00 C ATOM 334 CD PRO A 19 -4.296 -8.632 -1.358 1.00 0.00 C ATOM 0 HA PRO A 19 -2.832 -8.739 1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.271 -9.723 -0.523 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.697 -10.590 0.014 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.384 -8.733 -2.337 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.225 -10.268 -2.252 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.564 -7.901 -2.121 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.135 -9.323 -1.270 1.00 0.00 H new ATOM 342 N ILE A 20 -1.009 -7.174 1.624 1.00 0.00 N ATOM 343 CA ILE A 20 0.055 -6.184 1.729 1.00 0.00 C ATOM 344 C ILE A 20 1.426 -6.829 1.552 1.00 0.00 C ATOM 345 O ILE A 20 2.388 -6.457 2.222 1.00 0.00 O ATOM 346 CB ILE A 20 0.015 -5.456 3.086 1.00 0.00 C ATOM 347 CG1 ILE A 20 0.113 -6.463 4.233 1.00 0.00 C ATOM 348 CG2 ILE A 20 -1.257 -4.630 3.206 1.00 0.00 C ATOM 349 CD1 ILE A 20 0.401 -5.826 5.574 1.00 0.00 C ATOM 0 H ILE A 20 -1.221 -7.659 2.496 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.109 -5.459 0.932 1.00 0.00 H new ATOM 0 HB ILE A 20 0.870 -4.782 3.146 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.822 -7.020 4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.898 -7.184 4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.271 -4.121 4.170 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.288 -3.891 2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.125 -5.285 3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.457 -6.600 6.340 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.350 -5.293 5.527 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.396 -5.126 5.823 1.00 0.00 H new ATOM 361 N GLN A 21 1.505 -7.796 0.644 1.00 0.00 N ATOM 362 CA GLN A 21 2.759 -8.492 0.377 1.00 0.00 C ATOM 363 C GLN A 21 3.453 -7.912 -0.851 1.00 0.00 C ATOM 364 O GLN A 21 2.806 -7.584 -1.845 1.00 0.00 O ATOM 365 CB GLN A 21 2.504 -9.986 0.176 1.00 0.00 C ATOM 366 CG GLN A 21 1.965 -10.684 1.415 1.00 0.00 C ATOM 367 CD GLN A 21 2.083 -12.193 1.333 1.00 0.00 C ATOM 368 OE1 GLN A 21 3.161 -12.730 1.080 1.00 0.00 O ATOM 369 NE2 GLN A 21 0.971 -12.886 1.547 1.00 0.00 N ATOM 0 H GLN A 21 0.717 -8.115 0.081 1.00 0.00 H new ATOM 0 HA GLN A 21 3.412 -8.355 1.239 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.796 -10.118 -0.642 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.434 -10.467 -0.126 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.506 -10.328 2.292 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.919 -10.412 1.554 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.099 -12.399 1.754 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.989 -13.905 1.505 1.00 0.00 H new ATOM 378 N GLY A 22 4.775 -7.790 -0.775 1.00 0.00 N ATOM 379 CA GLY A 22 5.534 -7.249 -1.887 1.00 0.00 C ATOM 380 C GLY A 22 6.346 -6.030 -1.497 1.00 0.00 C ATOM 381 O GLY A 22 6.327 -5.607 -0.342 1.00 0.00 O ATOM 0 H GLY A 22 5.333 -8.056 0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.202 -8.018 -2.275 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.851 -6.984 -2.694 1.00 0.00 H new ATOM 385 N ASN A 23 7.063 -5.464 -2.463 1.00 0.00 N ATOM 386 CA ASN A 23 7.887 -4.287 -2.213 1.00 0.00 C ATOM 387 C ASN A 23 7.080 -3.007 -2.407 1.00 0.00 C ATOM 388 O ASN A 23 5.968 -3.036 -2.935 1.00 0.00 O ATOM 389 CB ASN A 23 9.102 -4.283 -3.143 1.00 0.00 C ATOM 390 CG ASN A 23 10.276 -5.048 -2.564 1.00 0.00 C ATOM 391 OD1 ASN A 23 10.949 -4.573 -1.648 1.00 0.00 O ATOM 392 ND2 ASN A 23 10.529 -6.238 -3.096 1.00 0.00 N ATOM 0 H ASN A 23 7.090 -5.801 -3.425 1.00 0.00 H new ATOM 0 HA ASN A 23 8.229 -4.326 -1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.824 -4.721 -4.102 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.403 -3.254 -3.338 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.307 -6.798 -2.747 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.945 -6.592 -3.854 1.00 0.00 H new ATOM 399 N ARG A 24 7.648 -1.885 -1.977 1.00 0.00 N ATOM 400 CA ARG A 24 6.982 -0.595 -2.102 1.00 0.00 C ATOM 401 C ARG A 24 6.343 -0.444 -3.480 1.00 0.00 C ATOM 402 O ARG A 24 5.145 -0.191 -3.594 1.00 0.00 O ATOM 403 CB ARG A 24 7.977 0.542 -1.863 1.00 0.00 C ATOM 404 CG ARG A 24 7.333 1.919 -1.835 1.00 0.00 C ATOM 405 CD ARG A 24 8.181 2.915 -1.059 1.00 0.00 C ATOM 406 NE ARG A 24 9.514 3.065 -1.637 1.00 0.00 N ATOM 407 CZ ARG A 24 10.431 3.901 -1.161 1.00 0.00 C ATOM 408 NH1 ARG A 24 10.161 4.656 -0.106 1.00 0.00 N ATOM 409 NH2 ARG A 24 11.622 3.981 -1.742 1.00 0.00 N ATOM 0 H ARG A 24 8.568 -1.844 -1.539 1.00 0.00 H new ATOM 0 HA ARG A 24 6.196 -0.546 -1.348 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.491 0.371 -0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.735 0.521 -2.646 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.192 2.277 -2.855 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.344 1.850 -1.382 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.681 3.883 -1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.270 2.587 -0.023 1.00 0.00 H new ATOM 0 HE ARG A 24 9.754 2.497 -2.450 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.247 4.597 0.343 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.867 5.297 0.257 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.833 3.401 -2.554 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.326 4.623 -1.377 1.00 0.00 H new ATOM 423 N GLU A 25 7.153 -0.602 -4.523 1.00 0.00 N ATOM 424 CA GLU A 25 6.666 -0.482 -5.892 1.00 0.00 C ATOM 425 C GLU A 25 5.406 -1.318 -6.097 1.00 0.00 C ATOM 426 O GLU A 25 4.364 -0.799 -6.496 1.00 0.00 O ATOM 427 CB GLU A 25 7.748 -0.920 -6.881 1.00 0.00 C ATOM 428 CG GLU A 25 9.014 -0.082 -6.810 1.00 0.00 C ATOM 429 CD GLU A 25 8.965 1.128 -7.722 1.00 0.00 C ATOM 430 OE1 GLU A 25 9.180 0.963 -8.940 1.00 0.00 O ATOM 431 OE2 GLU A 25 8.711 2.241 -7.216 1.00 0.00 O ATOM 0 H GLU A 25 8.148 -0.813 -4.446 1.00 0.00 H new ATOM 0 HA GLU A 25 6.420 0.564 -6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.002 -1.963 -6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.345 -0.870 -7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.169 0.248 -5.783 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.870 -0.701 -7.079 1.00 0.00 H new ATOM 438 N GLU A 26 5.511 -2.614 -5.821 1.00 0.00 N ATOM 439 CA GLU A 26 4.380 -3.522 -5.976 1.00 0.00 C ATOM 440 C GLU A 26 3.120 -2.933 -5.349 1.00 0.00 C ATOM 441 O GLU A 26 2.052 -2.928 -5.962 1.00 0.00 O ATOM 442 CB GLU A 26 4.695 -4.877 -5.339 1.00 0.00 C ATOM 443 CG GLU A 26 5.756 -5.668 -6.085 1.00 0.00 C ATOM 444 CD GLU A 26 5.251 -6.225 -7.402 1.00 0.00 C ATOM 445 OE1 GLU A 26 4.570 -7.271 -7.382 1.00 0.00 O ATOM 446 OE2 GLU A 26 5.539 -5.614 -8.452 1.00 0.00 O ATOM 0 H GLU A 26 6.367 -3.059 -5.489 1.00 0.00 H new ATOM 0 HA GLU A 26 4.203 -3.662 -7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.027 -4.718 -4.313 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.780 -5.468 -5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.617 -5.027 -6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.101 -6.489 -5.456 1.00 0.00 H new ATOM 453 N LEU A 27 3.252 -2.437 -4.124 1.00 0.00 N ATOM 454 CA LEU A 27 2.125 -1.845 -3.412 1.00 0.00 C ATOM 455 C LEU A 27 1.588 -0.627 -4.157 1.00 0.00 C ATOM 456 O LEU A 27 0.390 -0.523 -4.417 1.00 0.00 O ATOM 457 CB LEU A 27 2.542 -1.448 -1.995 1.00 0.00 C ATOM 458 CG LEU A 27 3.142 -2.560 -1.135 1.00 0.00 C ATOM 459 CD1 LEU A 27 3.695 -1.992 0.163 1.00 0.00 C ATOM 460 CD2 LEU A 27 2.101 -3.633 -0.849 1.00 0.00 C ATOM 0 H LEU A 27 4.129 -2.433 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 27 1.332 -2.591 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.269 -0.638 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.669 -1.049 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 27 3.964 -3.017 -1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.118 -2.798 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.472 -1.261 -0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.892 -1.509 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.545 -4.417 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.259 -3.190 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.752 -4.061 -1.789 1.00 0.00 H new ATOM 472 N VAL A 28 2.485 0.292 -4.500 1.00 0.00 N ATOM 473 CA VAL A 28 2.103 1.501 -5.219 1.00 0.00 C ATOM 474 C VAL A 28 1.309 1.166 -6.477 1.00 0.00 C ATOM 475 O VAL A 28 0.176 1.614 -6.644 1.00 0.00 O ATOM 476 CB VAL A 28 3.338 2.334 -5.612 1.00 0.00 C ATOM 477 CG1 VAL A 28 2.922 3.566 -6.402 1.00 0.00 C ATOM 478 CG2 VAL A 28 4.131 2.727 -4.375 1.00 0.00 C ATOM 0 H VAL A 28 3.481 0.222 -4.291 1.00 0.00 H new ATOM 0 HA VAL A 28 1.478 2.086 -4.544 1.00 0.00 H new ATOM 0 HB VAL A 28 3.979 1.723 -6.248 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.807 4.142 -6.671 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.400 3.258 -7.308 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.260 4.182 -5.794 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.000 3.315 -4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.501 3.320 -3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.462 1.828 -3.854 1.00 0.00 H new ATOM 488 N GLU A 29 1.913 0.374 -7.358 1.00 0.00 N ATOM 489 CA GLU A 29 1.261 -0.021 -8.601 1.00 0.00 C ATOM 490 C GLU A 29 -0.139 -0.565 -8.332 1.00 0.00 C ATOM 491 O GLU A 29 -1.091 -0.236 -9.040 1.00 0.00 O ATOM 492 CB GLU A 29 2.099 -1.074 -9.329 1.00 0.00 C ATOM 493 CG GLU A 29 1.479 -1.550 -10.632 1.00 0.00 C ATOM 494 CD GLU A 29 1.148 -0.408 -11.573 1.00 0.00 C ATOM 495 OE1 GLU A 29 2.079 0.325 -11.967 1.00 0.00 O ATOM 496 OE2 GLU A 29 -0.042 -0.247 -11.915 1.00 0.00 O ATOM 0 H GLU A 29 2.851 -0.006 -7.234 1.00 0.00 H new ATOM 0 HA GLU A 29 1.173 0.863 -9.233 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.086 -0.661 -9.536 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.243 -1.931 -8.671 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.166 -2.236 -11.127 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.570 -2.111 -10.414 1.00 0.00 H new ATOM 503 N ARG A 30 -0.256 -1.400 -7.305 1.00 0.00 N ATOM 504 CA ARG A 30 -1.538 -1.992 -6.943 1.00 0.00 C ATOM 505 C ARG A 30 -2.603 -0.914 -6.766 1.00 0.00 C ATOM 506 O ARG A 30 -3.592 -0.877 -7.499 1.00 0.00 O ATOM 507 CB ARG A 30 -1.403 -2.807 -5.655 1.00 0.00 C ATOM 508 CG ARG A 30 -2.576 -3.738 -5.398 1.00 0.00 C ATOM 509 CD ARG A 30 -2.386 -4.531 -4.114 1.00 0.00 C ATOM 510 NE ARG A 30 -1.211 -5.396 -4.173 1.00 0.00 N ATOM 511 CZ ARG A 30 -1.188 -6.561 -4.812 1.00 0.00 C ATOM 512 NH1 ARG A 30 -2.269 -6.997 -5.443 1.00 0.00 N ATOM 513 NH2 ARG A 30 -0.080 -7.291 -4.821 1.00 0.00 N ATOM 0 H ARG A 30 0.522 -1.682 -6.709 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.846 -2.654 -7.753 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.487 -3.395 -5.702 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.301 -2.124 -4.812 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.496 -3.157 -5.336 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.688 -4.424 -6.238 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.288 -3.843 -3.274 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.273 -5.137 -3.928 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.362 -5.089 -3.698 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.122 -6.438 -5.439 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.248 -7.892 -5.932 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.754 -6.958 -4.337 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.062 -8.185 -5.311 1.00 0.00 H new ATOM 527 N LEU A 31 -2.395 -0.039 -5.788 1.00 0.00 N ATOM 528 CA LEU A 31 -3.338 1.040 -5.514 1.00 0.00 C ATOM 529 C LEU A 31 -3.710 1.777 -6.796 1.00 0.00 C ATOM 530 O LEU A 31 -4.882 2.068 -7.037 1.00 0.00 O ATOM 531 CB LEU A 31 -2.740 2.021 -4.504 1.00 0.00 C ATOM 532 CG LEU A 31 -2.750 1.570 -3.043 1.00 0.00 C ATOM 533 CD1 LEU A 31 -1.739 2.366 -2.231 1.00 0.00 C ATOM 534 CD2 LEU A 31 -4.144 1.713 -2.450 1.00 0.00 C ATOM 0 H LEU A 31 -1.582 -0.055 -5.172 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.243 0.601 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.709 2.226 -4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.284 2.963 -4.576 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.467 0.518 -3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.761 2.031 -1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.741 2.212 -2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.990 3.426 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.132 1.387 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.455 2.756 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.844 1.098 -3.015 1.00 0.00 H new ATOM 546 N GLN A 32 -2.707 2.073 -7.616 1.00 0.00 N ATOM 547 CA GLN A 32 -2.930 2.774 -8.874 1.00 0.00 C ATOM 548 C GLN A 32 -3.868 1.982 -9.779 1.00 0.00 C ATOM 549 O GLN A 32 -4.771 2.545 -10.399 1.00 0.00 O ATOM 550 CB GLN A 32 -1.600 3.020 -9.589 1.00 0.00 C ATOM 551 CG GLN A 32 -0.872 4.265 -9.108 1.00 0.00 C ATOM 552 CD GLN A 32 0.545 4.354 -9.638 1.00 0.00 C ATOM 553 OE1 GLN A 32 1.507 4.080 -8.920 1.00 0.00 O ATOM 554 NE2 GLN A 32 0.681 4.738 -10.902 1.00 0.00 N ATOM 0 H GLN A 32 -1.732 1.838 -7.431 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.396 3.733 -8.648 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.954 2.154 -9.446 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.783 3.107 -10.660 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.428 5.149 -9.419 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.849 4.270 -8.018 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.144 4.955 -11.461 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.611 4.816 -11.314 1.00 0.00 H new ATOM 563 N SER A 33 -3.649 0.673 -9.851 1.00 0.00 N ATOM 564 CA SER A 33 -4.472 -0.196 -10.684 1.00 0.00 C ATOM 565 C SER A 33 -5.904 -0.252 -10.160 1.00 0.00 C ATOM 566 O SER A 33 -6.862 -0.148 -10.927 1.00 0.00 O ATOM 567 CB SER A 33 -3.878 -1.605 -10.730 1.00 0.00 C ATOM 568 OG SER A 33 -4.576 -2.422 -11.654 1.00 0.00 O ATOM 0 H SER A 33 -2.908 0.191 -9.342 1.00 0.00 H new ATOM 0 HA SER A 33 -4.488 0.217 -11.693 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.826 -1.551 -11.010 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.921 -2.054 -9.738 1.00 0.00 H new ATOM 0 HG SER A 33 -4.177 -3.317 -11.666 1.00 0.00 H new ATOM 574 N TYR A 34 -6.042 -0.417 -8.849 1.00 0.00 N ATOM 575 CA TYR A 34 -7.356 -0.490 -8.222 1.00 0.00 C ATOM 576 C TYR A 34 -8.187 0.746 -8.552 1.00 0.00 C ATOM 577 O TYR A 34 -9.248 0.650 -9.170 1.00 0.00 O ATOM 578 CB TYR A 34 -7.214 -0.632 -6.706 1.00 0.00 C ATOM 579 CG TYR A 34 -8.491 -0.349 -5.949 1.00 0.00 C ATOM 580 CD1 TYR A 34 -9.450 -1.339 -5.770 1.00 0.00 C ATOM 581 CD2 TYR A 34 -8.740 0.908 -5.412 1.00 0.00 C ATOM 582 CE1 TYR A 34 -10.619 -1.085 -5.080 1.00 0.00 C ATOM 583 CE2 TYR A 34 -9.906 1.170 -4.718 1.00 0.00 C ATOM 584 CZ TYR A 34 -10.842 0.171 -4.555 1.00 0.00 C ATOM 585 OH TYR A 34 -12.005 0.429 -3.866 1.00 0.00 O ATOM 0 H TYR A 34 -5.260 -0.503 -8.200 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.870 -1.367 -8.616 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.881 -1.644 -6.474 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.437 0.048 -6.357 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.278 -2.324 -6.178 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.010 1.694 -5.539 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -11.355 -1.865 -4.952 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.083 2.152 -4.305 1.00 0.00 H new ATOM 0 HH TYR A 34 -12.005 1.360 -3.561 1.00 0.00 H new ATOM 595 N THR A 35 -7.696 1.910 -8.136 1.00 0.00 N ATOM 596 CA THR A 35 -8.391 3.166 -8.386 1.00 0.00 C ATOM 597 C THR A 35 -8.752 3.311 -9.860 1.00 0.00 C ATOM 598 O THR A 35 -9.852 3.749 -10.199 1.00 0.00 O ATOM 599 CB THR A 35 -7.538 4.375 -7.957 1.00 0.00 C ATOM 600 OG1 THR A 35 -7.255 4.301 -6.555 1.00 0.00 O ATOM 601 CG2 THR A 35 -8.255 5.680 -8.267 1.00 0.00 C ATOM 0 H THR A 35 -6.819 2.008 -7.624 1.00 0.00 H new ATOM 0 HA THR A 35 -9.304 3.145 -7.791 1.00 0.00 H new ATOM 0 HB THR A 35 -6.604 4.351 -8.518 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.532 3.658 -6.401 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.634 6.520 -7.955 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.443 5.746 -9.339 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.203 5.711 -7.730 1.00 0.00 H new ATOM 609 N ARG A 36 -7.820 2.940 -10.732 1.00 0.00 N ATOM 610 CA ARG A 36 -8.041 3.030 -12.170 1.00 0.00 C ATOM 611 C ARG A 36 -9.190 2.124 -12.601 1.00 0.00 C ATOM 612 O ARG A 36 -10.051 2.527 -13.383 1.00 0.00 O ATOM 613 CB ARG A 36 -6.767 2.651 -12.928 1.00 0.00 C ATOM 614 CG ARG A 36 -5.815 3.817 -13.141 1.00 0.00 C ATOM 615 CD ARG A 36 -4.478 3.351 -13.695 1.00 0.00 C ATOM 616 NE ARG A 36 -4.479 3.300 -15.154 1.00 0.00 N ATOM 617 CZ ARG A 36 -4.500 4.380 -15.927 1.00 0.00 C ATOM 618 NH1 ARG A 36 -4.522 5.589 -15.382 1.00 0.00 N ATOM 619 NH2 ARG A 36 -4.498 4.253 -17.248 1.00 0.00 N ATOM 0 H ARG A 36 -6.905 2.574 -10.468 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.304 4.061 -12.408 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.248 1.865 -12.379 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.041 2.235 -13.898 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.264 4.534 -13.828 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.657 4.337 -12.196 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.691 4.024 -13.356 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.245 2.363 -13.298 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.463 2.385 -15.604 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.523 5.691 -14.367 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.538 6.417 -15.978 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.480 3.325 -17.671 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.514 5.083 -17.840 1.00 0.00 H new ATOM 633 N GLN A 37 -9.196 0.898 -12.086 1.00 0.00 N ATOM 634 CA GLN A 37 -10.239 -0.065 -12.419 1.00 0.00 C ATOM 635 C GLN A 37 -11.570 0.335 -11.791 1.00 0.00 C ATOM 636 O GLN A 37 -12.528 0.662 -12.493 1.00 0.00 O ATOM 637 CB GLN A 37 -9.839 -1.464 -11.949 1.00 0.00 C ATOM 638 CG GLN A 37 -8.862 -2.163 -12.881 1.00 0.00 C ATOM 639 CD GLN A 37 -9.435 -2.386 -14.267 1.00 0.00 C ATOM 640 OE1 GLN A 37 -10.066 -3.409 -14.534 1.00 0.00 O ATOM 641 NE2 GLN A 37 -9.217 -1.426 -15.158 1.00 0.00 N ATOM 0 H GLN A 37 -8.491 0.549 -11.437 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.358 -0.074 -13.502 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.393 -1.391 -10.957 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -10.736 -2.076 -11.851 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.952 -1.568 -12.960 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.579 -3.123 -12.450 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.689 -0.595 -14.893 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.578 -1.520 -16.107 1.00 0.00 H new ATOM 650 N THR A 38 -11.624 0.306 -10.463 1.00 0.00 N ATOM 651 CA THR A 38 -12.838 0.664 -9.739 1.00 0.00 C ATOM 652 C THR A 38 -13.258 2.097 -10.045 1.00 0.00 C ATOM 653 O THR A 38 -14.406 2.354 -10.403 1.00 0.00 O ATOM 654 CB THR A 38 -12.651 0.509 -8.218 1.00 0.00 C ATOM 655 OG1 THR A 38 -11.583 1.349 -7.767 1.00 0.00 O ATOM 656 CG2 THR A 38 -12.354 -0.938 -7.854 1.00 0.00 C ATOM 0 H THR A 38 -10.841 0.038 -9.867 1.00 0.00 H new ATOM 0 HA THR A 38 -13.619 -0.019 -10.073 1.00 0.00 H new ATOM 0 HB THR A 38 -13.578 0.807 -7.728 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.750 1.086 -8.211 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.226 -1.023 -6.775 1.00 0.00 H new ATOM 0 HG22 THR A 38 -13.183 -1.571 -8.172 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.440 -1.259 -8.354 1.00 0.00 H new ATOM 664 N GLY A 39 -12.319 3.027 -9.901 1.00 0.00 N ATOM 665 CA GLY A 39 -12.612 4.424 -10.167 1.00 0.00 C ATOM 666 C GLY A 39 -12.895 5.208 -8.901 1.00 0.00 C ATOM 667 O GLY A 39 -13.613 6.207 -8.929 1.00 0.00 O ATOM 0 H GLY A 39 -11.361 2.839 -9.605 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.769 4.876 -10.690 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.473 4.491 -10.832 1.00 0.00 H new ATOM 671 N ILE A 40 -12.331 4.753 -7.787 1.00 0.00 N ATOM 672 CA ILE A 40 -12.526 5.419 -6.505 1.00 0.00 C ATOM 673 C ILE A 40 -11.201 5.908 -5.931 1.00 0.00 C ATOM 674 O ILE A 40 -10.501 5.169 -5.240 1.00 0.00 O ATOM 675 CB ILE A 40 -13.202 4.486 -5.483 1.00 0.00 C ATOM 676 CG1 ILE A 40 -14.587 4.067 -5.980 1.00 0.00 C ATOM 677 CG2 ILE A 40 -13.304 5.169 -4.128 1.00 0.00 C ATOM 678 CD1 ILE A 40 -15.140 2.849 -5.274 1.00 0.00 C ATOM 0 H ILE A 40 -11.735 3.926 -7.746 1.00 0.00 H new ATOM 0 HA ILE A 40 -13.176 6.274 -6.690 1.00 0.00 H new ATOM 0 HB ILE A 40 -12.591 3.591 -5.371 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -15.279 4.899 -5.847 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -14.534 3.864 -7.050 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -13.784 4.497 -3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -12.305 5.421 -3.772 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -13.896 6.079 -4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -16.124 2.610 -5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -14.469 2.004 -5.428 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -15.226 3.055 -4.207 1.00 0.00 H new ATOM 690 N VAL A 41 -10.863 7.161 -6.222 1.00 0.00 N ATOM 691 CA VAL A 41 -9.623 7.751 -5.733 1.00 0.00 C ATOM 692 C VAL A 41 -9.547 7.690 -4.211 1.00 0.00 C ATOM 693 O VAL A 41 -10.552 7.870 -3.521 1.00 0.00 O ATOM 694 CB VAL A 41 -9.482 9.217 -6.184 1.00 0.00 C ATOM 695 CG1 VAL A 41 -8.208 9.829 -5.623 1.00 0.00 C ATOM 696 CG2 VAL A 41 -9.505 9.311 -7.702 1.00 0.00 C ATOM 0 H VAL A 41 -11.431 7.786 -6.794 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.807 7.167 -6.159 1.00 0.00 H new ATOM 0 HB VAL A 41 -10.329 9.782 -5.794 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.126 10.865 -5.953 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.237 9.796 -4.534 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.346 9.265 -5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.404 10.354 -8.004 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.679 8.732 -8.115 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.449 8.914 -8.077 1.00 0.00 H new ATOM 706 N LEU A 42 -8.351 7.435 -3.693 1.00 0.00 N ATOM 707 CA LEU A 42 -8.144 7.350 -2.252 1.00 0.00 C ATOM 708 C LEU A 42 -7.415 8.586 -1.733 1.00 0.00 C ATOM 709 O LEU A 42 -6.795 9.320 -2.501 1.00 0.00 O ATOM 710 CB LEU A 42 -7.348 6.091 -1.904 1.00 0.00 C ATOM 711 CG LEU A 42 -7.886 4.778 -2.475 1.00 0.00 C ATOM 712 CD1 LEU A 42 -6.807 3.706 -2.455 1.00 0.00 C ATOM 713 CD2 LEU A 42 -9.110 4.321 -1.696 1.00 0.00 C ATOM 0 H LEU A 42 -7.510 7.283 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.121 7.298 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.324 6.224 -2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.304 6.001 -0.819 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.181 4.947 -3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.208 2.779 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.959 4.032 -3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.480 3.538 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.480 3.385 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.840 4.168 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.888 5.081 -1.762 1.00 0.00 H new ATOM 725 N ASN A 43 -7.492 8.807 -0.425 1.00 0.00 N ATOM 726 CA ASN A 43 -6.838 9.952 0.197 1.00 0.00 C ATOM 727 C ASN A 43 -6.029 9.521 1.416 1.00 0.00 C ATOM 728 O ASN A 43 -6.455 8.658 2.183 1.00 0.00 O ATOM 729 CB ASN A 43 -7.877 10.999 0.605 1.00 0.00 C ATOM 730 CG ASN A 43 -8.859 11.305 -0.510 1.00 0.00 C ATOM 731 OD1 ASN A 43 -8.465 11.691 -1.610 1.00 0.00 O ATOM 732 ND2 ASN A 43 -10.145 11.133 -0.228 1.00 0.00 N ATOM 0 H ASN A 43 -8.001 8.208 0.225 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.157 10.390 -0.532 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.423 10.644 1.479 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.368 11.917 0.899 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.853 11.323 -0.938 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.425 10.811 0.698 1.00 0.00 H new ATOM 739 N ARG A 44 -4.859 10.129 1.588 1.00 0.00 N ATOM 740 CA ARG A 44 -3.989 9.807 2.713 1.00 0.00 C ATOM 741 C ARG A 44 -4.798 9.644 3.996 1.00 0.00 C ATOM 742 O ARG A 44 -5.797 10.328 4.220 1.00 0.00 O ATOM 743 CB ARG A 44 -2.934 10.899 2.897 1.00 0.00 C ATOM 744 CG ARG A 44 -1.671 10.670 2.083 1.00 0.00 C ATOM 745 CD ARG A 44 -0.722 11.854 2.182 1.00 0.00 C ATOM 746 NE ARG A 44 0.160 11.946 1.022 1.00 0.00 N ATOM 747 CZ ARG A 44 -0.248 12.328 -0.184 1.00 0.00 C ATOM 748 NH1 ARG A 44 -1.518 12.652 -0.385 1.00 0.00 N ATOM 749 NH2 ARG A 44 0.615 12.387 -1.190 1.00 0.00 N ATOM 0 H ARG A 44 -4.492 10.847 0.963 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.490 8.862 2.496 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.366 11.860 2.619 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.669 10.962 3.952 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.168 9.769 2.435 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.935 10.500 1.039 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.299 12.774 2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.122 11.763 3.087 1.00 0.00 H new ATOM 0 HE ARG A 44 1.143 11.704 1.144 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.184 12.608 0.387 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.829 12.945 -1.311 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.593 12.139 -1.038 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.301 12.680 -2.115 1.00 0.00 H new ATOM 763 N PRO A 45 -4.358 8.717 4.860 1.00 0.00 N ATOM 764 CA PRO A 45 -5.027 8.443 6.135 1.00 0.00 C ATOM 765 C PRO A 45 -4.867 9.586 7.131 1.00 0.00 C ATOM 766 O PRO A 45 -4.006 10.451 6.965 1.00 0.00 O ATOM 767 CB PRO A 45 -4.316 7.187 6.645 1.00 0.00 C ATOM 768 CG PRO A 45 -2.972 7.225 6.003 1.00 0.00 C ATOM 769 CD PRO A 45 -3.174 7.865 4.657 1.00 0.00 C ATOM 0 HA PRO A 45 -6.103 8.321 6.013 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.236 7.191 7.732 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.861 6.284 6.369 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.268 7.798 6.606 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.560 6.221 5.900 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.305 8.450 4.355 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.343 7.120 3.879 1.00 0.00 H new ATOM 777 N SER A 46 -5.702 9.585 8.165 1.00 0.00 N ATOM 778 CA SER A 46 -5.655 10.625 9.186 1.00 0.00 C ATOM 779 C SER A 46 -5.334 11.981 8.566 1.00 0.00 C ATOM 780 O SER A 46 -4.471 12.711 9.054 1.00 0.00 O ATOM 781 CB SER A 46 -4.613 10.278 10.251 1.00 0.00 C ATOM 782 OG SER A 46 -4.957 10.842 11.504 1.00 0.00 O ATOM 0 H SER A 46 -6.419 8.876 8.318 1.00 0.00 H new ATOM 0 HA SER A 46 -6.637 10.683 9.655 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.532 9.195 10.346 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.635 10.644 9.940 1.00 0.00 H new ATOM 0 HG SER A 46 -4.276 10.604 12.168 1.00 0.00 H new ATOM 788 N GLY A 47 -6.034 12.312 7.486 1.00 0.00 N ATOM 789 CA GLY A 47 -5.809 13.580 6.815 1.00 0.00 C ATOM 790 C GLY A 47 -6.900 14.591 7.107 1.00 0.00 C ATOM 791 O GLY A 47 -6.856 15.314 8.103 1.00 0.00 O ATOM 0 H GLY A 47 -6.753 11.725 7.063 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.847 13.987 7.127 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.751 13.413 5.739 1.00 0.00 H new ATOM 795 N PRO A 48 -7.906 14.654 6.222 1.00 0.00 N ATOM 796 CA PRO A 48 -9.031 15.582 6.367 1.00 0.00 C ATOM 797 C PRO A 48 -9.946 15.207 7.529 1.00 0.00 C ATOM 798 O PRO A 48 -10.902 14.452 7.359 1.00 0.00 O ATOM 799 CB PRO A 48 -9.775 15.449 5.036 1.00 0.00 C ATOM 800 CG PRO A 48 -9.427 14.087 4.542 1.00 0.00 C ATOM 801 CD PRO A 48 -8.023 13.823 5.012 1.00 0.00 C ATOM 0 HA PRO A 48 -8.697 16.596 6.584 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.851 15.558 5.171 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.463 16.218 4.329 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -10.117 13.341 4.936 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -9.491 14.038 3.455 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.865 12.767 5.233 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.287 14.105 4.259 1.00 0.00 H new ATOM 809 N SER A 49 -9.645 15.741 8.708 1.00 0.00 N ATOM 810 CA SER A 49 -10.439 15.460 9.899 1.00 0.00 C ATOM 811 C SER A 49 -10.204 16.519 10.971 1.00 0.00 C ATOM 812 O SER A 49 -9.144 17.143 11.021 1.00 0.00 O ATOM 813 CB SER A 49 -10.096 14.074 10.450 1.00 0.00 C ATOM 814 OG SER A 49 -8.759 14.029 10.920 1.00 0.00 O ATOM 0 H SER A 49 -8.858 16.370 8.864 1.00 0.00 H new ATOM 0 HA SER A 49 -11.492 15.481 9.618 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.779 13.822 11.262 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.237 13.324 9.671 1.00 0.00 H new ATOM 0 HG SER A 49 -8.565 13.134 11.268 1.00 0.00 H new ATOM 820 N SER A 50 -11.201 16.716 11.828 1.00 0.00 N ATOM 821 CA SER A 50 -11.106 17.702 12.898 1.00 0.00 C ATOM 822 C SER A 50 -11.617 17.126 14.215 1.00 0.00 C ATOM 823 O SER A 50 -12.607 16.395 14.243 1.00 0.00 O ATOM 824 CB SER A 50 -11.901 18.958 12.535 1.00 0.00 C ATOM 825 OG SER A 50 -11.451 20.078 13.277 1.00 0.00 O ATOM 0 H SER A 50 -12.084 16.206 11.802 1.00 0.00 H new ATOM 0 HA SER A 50 -10.056 17.968 13.021 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.801 19.160 11.469 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.960 18.791 12.730 1.00 0.00 H new ATOM 0 HG SER A 50 -11.973 20.868 13.026 1.00 0.00 H new ATOM 831 N GLY A 51 -10.934 17.461 15.305 1.00 0.00 N ATOM 832 CA GLY A 51 -11.333 16.969 16.611 1.00 0.00 C ATOM 833 C GLY A 51 -10.273 17.207 17.669 1.00 0.00 C ATOM 834 O GLY A 51 -10.164 16.446 18.629 1.00 0.00 O ATOM 0 H GLY A 51 -10.112 18.064 15.307 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -12.259 17.458 16.913 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.543 15.901 16.545 1.00 0.00 H new TER 838 GLY A 51