USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 451 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 37 CYS SG : rot 167:sc= -1.05 USER MOD Set 1.2: A 39 HIS : no HE2:sc= -2.81 X(o=-3.5,f=-3.6) USER MOD Set 1.3: A 62 CYS SG : rot 55:sc= 0.592 USER MOD Set 1.4: A 65 CYS SG : rot -42:sc= -0.225 USER MOD Set 2.1: A 22 CYS SG : rot -162:sc= 0.503 USER MOD Set 2.2: A 25 CYS SG : rot -124:sc= -1.61 USER MOD Set 2.3: A 42 CYS SG : rot 79:sc= 1.05 USER MOD Set 2.4: A 45 CYS SG : rot 125:sc= -0.188 USER MOD Single : A 5 SER OG : rot 30:sc= 0.0746 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0285 USER MOD Single : A 8 MET CE :methyl -140:sc= -2.8! (180deg=-5.66!) USER MOD Single : A 10 SER OG : rot 40:sc= 0.256 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 32:sc= 0.211 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.507 X(o=-0.51,f=-0.94) USER MOD Single : A 40 SER OG : rot 180:sc= -0.953 USER MOD Single : A 47 THR OG1 : rot 59:sc= 1.23 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.943 K(o=-0.94,f=-1.7) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLY A 4 15.019 4.836 -12.309 1.00 0.00 N ATOM 31 CA GLY A 4 14.457 3.505 -12.445 1.00 0.00 C ATOM 32 C GLY A 4 15.503 2.467 -12.799 1.00 0.00 C ATOM 33 O GLY A 4 15.369 1.756 -13.795 1.00 0.00 O ATOM 0 HA2 GLY A 4 13.971 3.222 -11.511 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.686 3.517 -13.215 1.00 0.00 H new ATOM 37 N SER A 5 16.549 2.381 -11.983 1.00 0.00 N ATOM 38 CA SER A 5 17.625 1.426 -12.219 1.00 0.00 C ATOM 39 C SER A 5 17.136 -0.005 -12.017 1.00 0.00 C ATOM 40 O SER A 5 16.482 -0.315 -11.021 1.00 0.00 O ATOM 41 CB SER A 5 18.802 1.711 -11.284 1.00 0.00 C ATOM 42 OG SER A 5 18.387 1.721 -9.930 1.00 0.00 O ATOM 0 H SER A 5 16.674 2.961 -11.153 1.00 0.00 H new ATOM 0 HA SER A 5 17.955 1.536 -13.252 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.574 0.955 -11.425 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.248 2.673 -11.538 1.00 0.00 H new ATOM 0 HG SER A 5 17.627 1.112 -9.816 1.00 0.00 H new ATOM 48 N SER A 6 17.458 -0.874 -12.971 1.00 0.00 N ATOM 49 CA SER A 6 17.049 -2.271 -12.901 1.00 0.00 C ATOM 50 C SER A 6 17.577 -2.929 -11.630 1.00 0.00 C ATOM 51 O SER A 6 18.438 -2.379 -10.945 1.00 0.00 O ATOM 52 CB SER A 6 17.550 -3.033 -14.129 1.00 0.00 C ATOM 53 OG SER A 6 16.948 -4.313 -14.216 1.00 0.00 O ATOM 0 H SER A 6 18.001 -0.634 -13.801 1.00 0.00 H new ATOM 0 HA SER A 6 15.960 -2.304 -12.881 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.329 -2.462 -15.031 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.633 -3.140 -14.077 1.00 0.00 H new ATOM 0 HG SER A 6 17.284 -4.779 -15.010 1.00 0.00 H new ATOM 59 N GLY A 7 17.054 -4.112 -11.322 1.00 0.00 N ATOM 60 CA GLY A 7 17.483 -4.827 -10.134 1.00 0.00 C ATOM 61 C GLY A 7 18.392 -5.996 -10.458 1.00 0.00 C ATOM 62 O GLY A 7 18.139 -6.745 -11.401 1.00 0.00 O ATOM 0 H GLY A 7 16.341 -4.588 -11.874 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.004 -4.139 -9.468 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.607 -5.190 -9.596 1.00 0.00 H new ATOM 66 N MET A 8 19.455 -6.152 -9.675 1.00 0.00 N ATOM 67 CA MET A 8 20.405 -7.238 -9.885 1.00 0.00 C ATOM 68 C MET A 8 19.963 -8.497 -9.145 1.00 0.00 C ATOM 69 O MET A 8 20.767 -9.154 -8.485 1.00 0.00 O ATOM 70 CB MET A 8 21.801 -6.821 -9.417 1.00 0.00 C ATOM 71 CG MET A 8 22.902 -7.763 -9.876 1.00 0.00 C ATOM 72 SD MET A 8 22.943 -7.964 -11.667 1.00 0.00 S ATOM 73 CE MET A 8 21.716 -9.249 -11.892 1.00 0.00 C ATOM 0 H MET A 8 19.680 -5.541 -8.890 1.00 0.00 H new ATOM 0 HA MET A 8 20.438 -7.457 -10.952 1.00 0.00 H new ATOM 0 HB2 MET A 8 22.015 -5.818 -9.787 1.00 0.00 H new ATOM 0 HB3 MET A 8 21.810 -6.768 -8.328 1.00 0.00 H new ATOM 0 HG2 MET A 8 23.865 -7.383 -9.535 1.00 0.00 H new ATOM 0 HG3 MET A 8 22.760 -8.737 -9.408 1.00 0.00 H new ATOM 0 HE1 MET A 8 22.059 -9.950 -12.653 1.00 0.00 H new ATOM 0 HE2 MET A 8 21.567 -9.778 -10.951 1.00 0.00 H new ATOM 0 HE3 MET A 8 20.774 -8.801 -12.210 1.00 0.00 H new ATOM 83 N ALA A 9 18.681 -8.826 -9.259 1.00 0.00 N ATOM 84 CA ALA A 9 18.133 -10.006 -8.603 1.00 0.00 C ATOM 85 C ALA A 9 18.298 -11.246 -9.475 1.00 0.00 C ATOM 86 O ALA A 9 18.152 -11.182 -10.696 1.00 0.00 O ATOM 87 CB ALA A 9 16.666 -9.789 -8.263 1.00 0.00 C ATOM 0 H ALA A 9 18.002 -8.291 -9.800 1.00 0.00 H new ATOM 0 HA ALA A 9 18.688 -10.167 -7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 9 16.270 -10.679 -7.773 1.00 0.00 H new ATOM 0 HB2 ALA A 9 16.570 -8.934 -7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.105 -9.598 -9.178 1.00 0.00 H new ATOM 93 N SER A 10 18.604 -12.374 -8.841 1.00 0.00 N ATOM 94 CA SER A 10 18.793 -13.628 -9.561 1.00 0.00 C ATOM 95 C SER A 10 18.044 -14.766 -8.875 1.00 0.00 C ATOM 96 O SER A 10 18.331 -15.112 -7.730 1.00 0.00 O ATOM 97 CB SER A 10 20.282 -13.967 -9.655 1.00 0.00 C ATOM 98 OG SER A 10 20.894 -13.937 -8.377 1.00 0.00 O ATOM 0 H SER A 10 18.726 -12.445 -7.831 1.00 0.00 H new ATOM 0 HA SER A 10 18.391 -13.505 -10.567 1.00 0.00 H new ATOM 0 HB2 SER A 10 20.406 -14.955 -10.098 1.00 0.00 H new ATOM 0 HB3 SER A 10 20.779 -13.257 -10.316 1.00 0.00 H new ATOM 0 HG SER A 10 20.291 -14.336 -7.716 1.00 0.00 H new ATOM 104 N SER A 11 17.080 -15.344 -9.586 1.00 0.00 N ATOM 105 CA SER A 11 16.285 -16.441 -9.046 1.00 0.00 C ATOM 106 C SER A 11 16.018 -17.496 -10.115 1.00 0.00 C ATOM 107 O SER A 11 15.687 -17.171 -11.255 1.00 0.00 O ATOM 108 CB SER A 11 14.961 -15.913 -8.491 1.00 0.00 C ATOM 109 OG SER A 11 14.257 -15.170 -9.471 1.00 0.00 O ATOM 0 H SER A 11 16.831 -15.071 -10.537 1.00 0.00 H new ATOM 0 HA SER A 11 16.851 -16.904 -8.238 1.00 0.00 H new ATOM 0 HB2 SER A 11 14.347 -16.747 -8.152 1.00 0.00 H new ATOM 0 HB3 SER A 11 15.153 -15.284 -7.622 1.00 0.00 H new ATOM 0 HG SER A 11 13.414 -14.845 -9.092 1.00 0.00 H new ATOM 115 N VAL A 12 16.165 -18.762 -9.738 1.00 0.00 N ATOM 116 CA VAL A 12 15.938 -19.866 -10.662 1.00 0.00 C ATOM 117 C VAL A 12 14.699 -20.664 -10.273 1.00 0.00 C ATOM 118 O VAL A 12 14.624 -21.870 -10.510 1.00 0.00 O ATOM 119 CB VAL A 12 17.151 -20.814 -10.712 1.00 0.00 C ATOM 120 CG1 VAL A 12 16.977 -21.848 -11.814 1.00 0.00 C ATOM 121 CG2 VAL A 12 18.436 -20.025 -10.908 1.00 0.00 C ATOM 0 H VAL A 12 16.440 -19.048 -8.799 1.00 0.00 H new ATOM 0 HA VAL A 12 15.788 -19.427 -11.648 1.00 0.00 H new ATOM 0 HB VAL A 12 17.217 -21.341 -9.760 1.00 0.00 H new ATOM 0 HG11 VAL A 12 17.844 -22.508 -11.833 1.00 0.00 H new ATOM 0 HG12 VAL A 12 16.078 -22.435 -11.624 1.00 0.00 H new ATOM 0 HG13 VAL A 12 16.884 -21.343 -12.775 1.00 0.00 H new ATOM 0 HG21 VAL A 12 19.283 -20.711 -10.941 1.00 0.00 H new ATOM 0 HG22 VAL A 12 18.383 -19.469 -11.844 1.00 0.00 H new ATOM 0 HG23 VAL A 12 18.565 -19.329 -10.080 1.00 0.00 H new ATOM 131 N LEU A 13 13.728 -19.983 -9.675 1.00 0.00 N ATOM 132 CA LEU A 13 12.489 -20.627 -9.253 1.00 0.00 C ATOM 133 C LEU A 13 11.274 -19.870 -9.779 1.00 0.00 C ATOM 134 O LEU A 13 10.624 -19.131 -9.041 1.00 0.00 O ATOM 135 CB LEU A 13 12.430 -20.712 -7.727 1.00 0.00 C ATOM 136 CG LEU A 13 12.608 -19.393 -6.974 1.00 0.00 C ATOM 137 CD1 LEU A 13 11.821 -19.409 -5.673 1.00 0.00 C ATOM 138 CD2 LEU A 13 14.083 -19.129 -6.704 1.00 0.00 C ATOM 0 H LEU A 13 13.775 -18.985 -9.471 1.00 0.00 H new ATOM 0 HA LEU A 13 12.473 -21.635 -9.668 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.469 -21.142 -7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.201 -21.406 -7.392 1.00 0.00 H new ATOM 0 HG LEU A 13 12.222 -18.586 -7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.960 -18.462 -5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.762 -19.551 -5.890 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.175 -20.225 -5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.192 -18.186 -6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.493 -19.939 -6.101 1.00 0.00 H new ATOM 0 HD23 LEU A 13 14.622 -19.072 -7.650 1.00 0.00 H new ATOM 150 N GLU A 14 10.973 -20.062 -11.060 1.00 0.00 N ATOM 151 CA GLU A 14 9.835 -19.398 -11.684 1.00 0.00 C ATOM 152 C GLU A 14 8.679 -20.374 -11.887 1.00 0.00 C ATOM 153 O GLU A 14 8.810 -21.367 -12.601 1.00 0.00 O ATOM 154 CB GLU A 14 10.244 -18.790 -13.027 1.00 0.00 C ATOM 155 CG GLU A 14 9.406 -17.589 -13.432 1.00 0.00 C ATOM 156 CD GLU A 14 8.139 -17.984 -14.166 1.00 0.00 C ATOM 157 OE1 GLU A 14 8.226 -18.813 -15.096 1.00 0.00 O ATOM 158 OE2 GLU A 14 7.060 -17.464 -13.811 1.00 0.00 O ATOM 0 H GLU A 14 11.501 -20.671 -11.685 1.00 0.00 H new ATOM 0 HA GLU A 14 9.503 -18.601 -11.018 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.291 -18.492 -12.977 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.167 -19.554 -13.801 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.143 -17.017 -12.542 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.001 -16.933 -14.068 1.00 0.00 H new ATOM 165 N MET A 15 7.548 -20.083 -11.252 1.00 0.00 N ATOM 166 CA MET A 15 6.369 -20.934 -11.363 1.00 0.00 C ATOM 167 C MET A 15 5.610 -20.646 -12.654 1.00 0.00 C ATOM 168 O MET A 15 5.961 -19.732 -13.400 1.00 0.00 O ATOM 169 CB MET A 15 5.449 -20.726 -10.159 1.00 0.00 C ATOM 170 CG MET A 15 5.979 -21.343 -8.875 1.00 0.00 C ATOM 171 SD MET A 15 5.380 -20.497 -7.399 1.00 0.00 S ATOM 172 CE MET A 15 4.762 -21.880 -6.443 1.00 0.00 C ATOM 0 H MET A 15 7.423 -19.265 -10.656 1.00 0.00 H new ATOM 0 HA MET A 15 6.701 -21.972 -11.382 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.302 -19.657 -10.005 1.00 0.00 H new ATOM 0 HB3 MET A 15 4.471 -21.153 -10.381 1.00 0.00 H new ATOM 0 HG2 MET A 15 5.685 -22.392 -8.832 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.069 -21.317 -8.887 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.357 -21.517 -5.498 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.977 -22.388 -7.003 1.00 0.00 H new ATOM 0 HE3 MET A 15 5.576 -22.578 -6.245 1.00 0.00 H new ATOM 182 N ILE A 16 4.570 -21.432 -12.911 1.00 0.00 N ATOM 183 CA ILE A 16 3.762 -21.259 -14.112 1.00 0.00 C ATOM 184 C ILE A 16 2.681 -20.205 -13.901 1.00 0.00 C ATOM 185 O ILE A 16 1.667 -20.460 -13.249 1.00 0.00 O ATOM 186 CB ILE A 16 3.097 -22.582 -14.538 1.00 0.00 C ATOM 187 CG1 ILE A 16 4.160 -23.606 -14.941 1.00 0.00 C ATOM 188 CG2 ILE A 16 2.125 -22.341 -15.683 1.00 0.00 C ATOM 189 CD1 ILE A 16 3.659 -25.033 -14.929 1.00 0.00 C ATOM 0 H ILE A 16 4.267 -22.194 -12.304 1.00 0.00 H new ATOM 0 HA ILE A 16 4.437 -20.930 -14.902 1.00 0.00 H new ATOM 0 HB ILE A 16 2.539 -22.980 -13.691 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.524 -23.366 -15.940 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.009 -23.522 -14.263 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.663 -23.285 -15.973 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.352 -21.642 -15.363 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.662 -21.923 -16.534 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.465 -25.704 -15.225 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.321 -25.292 -13.925 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.829 -25.133 -15.628 1.00 0.00 H new ATOM 201 N LYS A 17 2.902 -19.019 -14.457 1.00 0.00 N ATOM 202 CA LYS A 17 1.946 -17.924 -14.333 1.00 0.00 C ATOM 203 C LYS A 17 0.836 -18.051 -15.371 1.00 0.00 C ATOM 204 O LYS A 17 1.086 -18.422 -16.517 1.00 0.00 O ATOM 205 CB LYS A 17 2.657 -16.579 -14.492 1.00 0.00 C ATOM 206 CG LYS A 17 1.933 -15.425 -13.820 1.00 0.00 C ATOM 207 CD LYS A 17 2.114 -15.457 -12.311 1.00 0.00 C ATOM 208 CE LYS A 17 0.877 -16.001 -11.613 1.00 0.00 C ATOM 209 NZ LYS A 17 1.201 -16.573 -10.277 1.00 0.00 N ATOM 0 H LYS A 17 3.736 -18.791 -14.999 1.00 0.00 H new ATOM 0 HA LYS A 17 1.498 -17.976 -13.341 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.662 -16.657 -14.077 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.767 -16.359 -15.554 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.309 -14.480 -14.213 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.871 -15.470 -14.061 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.976 -16.075 -12.060 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.326 -14.451 -11.947 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.144 -15.202 -11.498 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.417 -16.769 -12.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.332 -16.933 -9.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.881 -17.352 -10.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.617 -15.834 -9.675 1.00 0.00 H new ATOM 269 N THR A 21 1.618 -11.934 -15.657 1.00 0.00 N ATOM 270 CA THR A 21 2.848 -11.331 -15.159 1.00 0.00 C ATOM 271 C THR A 21 2.806 -9.813 -15.286 1.00 0.00 C ATOM 272 O THR A 21 2.042 -9.267 -16.084 1.00 0.00 O ATOM 273 CB THR A 21 4.081 -11.865 -15.911 1.00 0.00 C ATOM 274 OG1 THR A 21 4.039 -13.295 -15.969 1.00 0.00 O ATOM 275 CG2 THR A 21 5.366 -11.418 -15.231 1.00 0.00 C ATOM 0 HA THR A 21 2.929 -11.603 -14.107 1.00 0.00 H new ATOM 0 HB THR A 21 4.064 -11.460 -16.923 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.107 -13.593 -16.012 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.223 -11.808 -15.780 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.410 -10.329 -15.215 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.388 -11.797 -14.209 1.00 0.00 H new ATOM 283 N CYS A 22 3.632 -9.134 -14.497 1.00 0.00 N ATOM 284 CA CYS A 22 3.691 -7.678 -14.522 1.00 0.00 C ATOM 285 C CYS A 22 4.081 -7.172 -15.908 1.00 0.00 C ATOM 286 O CYS A 22 5.145 -7.496 -16.437 1.00 0.00 O ATOM 287 CB CYS A 22 4.690 -7.169 -13.481 1.00 0.00 C ATOM 288 SG CYS A 22 4.665 -5.362 -13.247 1.00 0.00 S ATOM 0 H CYS A 22 4.270 -9.570 -13.832 1.00 0.00 H new ATOM 0 HA CYS A 22 2.699 -7.295 -14.281 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.481 -7.651 -12.526 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.694 -7.472 -13.778 1.00 0.00 H new ATOM 0 HG CYS A 22 5.761 -4.985 -12.659 1.00 0.00 H new ATOM 293 N PRO A 23 3.201 -6.360 -16.511 1.00 0.00 N ATOM 294 CA PRO A 23 3.431 -5.792 -17.842 1.00 0.00 C ATOM 295 C PRO A 23 4.543 -4.748 -17.843 1.00 0.00 C ATOM 296 O PRO A 23 4.795 -4.097 -18.857 1.00 0.00 O ATOM 297 CB PRO A 23 2.088 -5.142 -18.188 1.00 0.00 C ATOM 298 CG PRO A 23 1.463 -4.841 -16.870 1.00 0.00 C ATOM 299 CD PRO A 23 1.913 -5.933 -15.939 1.00 0.00 C ATOM 0 HA PRO A 23 3.751 -6.549 -18.558 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.227 -4.235 -18.777 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.464 -5.813 -18.778 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.776 -3.863 -16.504 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.376 -4.819 -16.949 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.028 -5.569 -14.918 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.196 -6.754 -15.906 1.00 0.00 H new ATOM 307 N ILE A 24 5.205 -4.595 -16.701 1.00 0.00 N ATOM 308 CA ILE A 24 6.291 -3.632 -16.571 1.00 0.00 C ATOM 309 C ILE A 24 7.621 -4.334 -16.320 1.00 0.00 C ATOM 310 O ILE A 24 8.542 -4.252 -17.134 1.00 0.00 O ATOM 311 CB ILE A 24 6.026 -2.635 -15.428 1.00 0.00 C ATOM 312 CG1 ILE A 24 4.761 -1.822 -15.714 1.00 0.00 C ATOM 313 CG2 ILE A 24 7.222 -1.714 -15.240 1.00 0.00 C ATOM 314 CD1 ILE A 24 4.031 -1.382 -14.464 1.00 0.00 C ATOM 0 H ILE A 24 5.008 -5.126 -15.853 1.00 0.00 H new ATOM 0 HA ILE A 24 6.343 -3.086 -17.513 1.00 0.00 H new ATOM 0 HB ILE A 24 5.875 -3.195 -14.505 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.029 -0.941 -16.298 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.086 -2.418 -16.328 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.019 -1.015 -14.429 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.103 -2.307 -14.996 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.402 -1.159 -16.161 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.145 -0.811 -14.742 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.732 -2.259 -13.890 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.689 -0.759 -13.859 1.00 0.00 H new ATOM 326 N CYS A 25 7.715 -5.025 -15.189 1.00 0.00 N ATOM 327 CA CYS A 25 8.932 -5.744 -14.830 1.00 0.00 C ATOM 328 C CYS A 25 8.919 -7.156 -15.407 1.00 0.00 C ATOM 329 O CYS A 25 9.971 -7.764 -15.614 1.00 0.00 O ATOM 330 CB CYS A 25 9.084 -5.803 -13.309 1.00 0.00 C ATOM 331 SG CYS A 25 7.839 -6.842 -12.478 1.00 0.00 S ATOM 0 H CYS A 25 6.963 -5.102 -14.505 1.00 0.00 H new ATOM 0 HA CYS A 25 9.781 -5.206 -15.252 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.077 -6.182 -13.068 1.00 0.00 H new ATOM 0 HB3 CYS A 25 9.023 -4.791 -12.909 1.00 0.00 H new ATOM 0 HG CYS A 25 7.213 -6.137 -11.583 1.00 0.00 H new ATOM 336 N LEU A 26 7.723 -7.674 -15.664 1.00 0.00 N ATOM 337 CA LEU A 26 7.573 -9.015 -16.218 1.00 0.00 C ATOM 338 C LEU A 26 8.043 -10.071 -15.222 1.00 0.00 C ATOM 339 O LEU A 26 8.762 -11.002 -15.584 1.00 0.00 O ATOM 340 CB LEU A 26 8.361 -9.141 -17.522 1.00 0.00 C ATOM 341 CG LEU A 26 8.057 -8.095 -18.595 1.00 0.00 C ATOM 342 CD1 LEU A 26 9.125 -8.112 -19.677 1.00 0.00 C ATOM 343 CD2 LEU A 26 6.680 -8.335 -19.198 1.00 0.00 C ATOM 0 H LEU A 26 6.843 -7.186 -15.498 1.00 0.00 H new ATOM 0 HA LEU A 26 6.515 -9.180 -16.423 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.424 -9.092 -17.287 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.173 -10.129 -17.943 1.00 0.00 H new ATOM 0 HG LEU A 26 8.061 -7.111 -18.127 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.891 -7.361 -20.431 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.096 -7.891 -19.234 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.155 -9.097 -20.143 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.480 -7.581 -19.960 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.649 -9.326 -19.651 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.924 -8.270 -18.416 1.00 0.00 H new ATOM 355 N GLU A 27 7.629 -9.919 -13.968 1.00 0.00 N ATOM 356 CA GLU A 27 8.008 -10.861 -12.921 1.00 0.00 C ATOM 357 C GLU A 27 6.863 -11.064 -11.932 1.00 0.00 C ATOM 358 O GLU A 27 5.896 -10.300 -11.918 1.00 0.00 O ATOM 359 CB GLU A 27 9.252 -10.364 -12.182 1.00 0.00 C ATOM 360 CG GLU A 27 10.553 -10.686 -12.897 1.00 0.00 C ATOM 361 CD GLU A 27 11.775 -10.368 -12.057 1.00 0.00 C ATOM 362 OE1 GLU A 27 11.831 -9.258 -11.487 1.00 0.00 O ATOM 363 OE2 GLU A 27 12.675 -11.229 -11.970 1.00 0.00 O ATOM 0 H GLU A 27 7.032 -9.154 -13.653 1.00 0.00 H new ATOM 0 HA GLU A 27 8.233 -11.818 -13.393 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.178 -9.285 -12.048 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.275 -10.808 -11.187 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.565 -11.743 -13.163 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.600 -10.122 -13.829 1.00 0.00 H new ATOM 370 N LEU A 28 6.979 -12.098 -11.106 1.00 0.00 N ATOM 371 CA LEU A 28 5.954 -12.402 -10.113 1.00 0.00 C ATOM 372 C LEU A 28 5.435 -11.127 -9.457 1.00 0.00 C ATOM 373 O LEU A 28 6.177 -10.421 -8.772 1.00 0.00 O ATOM 374 CB LEU A 28 6.514 -13.346 -9.047 1.00 0.00 C ATOM 375 CG LEU A 28 6.363 -14.841 -9.328 1.00 0.00 C ATOM 376 CD1 LEU A 28 4.896 -15.241 -9.318 1.00 0.00 C ATOM 377 CD2 LEU A 28 7.007 -15.201 -10.659 1.00 0.00 C ATOM 0 H LEU A 28 7.772 -12.740 -11.104 1.00 0.00 H new ATOM 0 HA LEU A 28 5.123 -12.890 -10.622 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.574 -13.127 -8.917 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.023 -13.123 -8.099 1.00 0.00 H new ATOM 0 HG LEU A 28 6.874 -15.393 -8.539 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.809 -16.309 -9.520 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.465 -15.020 -8.341 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.361 -14.682 -10.086 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.890 -16.269 -10.843 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.525 -14.640 -11.460 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.068 -14.952 -10.629 1.00 0.00 H new ATOM 389 N LEU A 29 4.156 -10.837 -9.670 1.00 0.00 N ATOM 390 CA LEU A 29 3.535 -9.648 -9.098 1.00 0.00 C ATOM 391 C LEU A 29 3.561 -9.699 -7.574 1.00 0.00 C ATOM 392 O LEU A 29 2.894 -10.531 -6.958 1.00 0.00 O ATOM 393 CB LEU A 29 2.093 -9.513 -9.590 1.00 0.00 C ATOM 394 CG LEU A 29 1.918 -9.219 -11.080 1.00 0.00 C ATOM 395 CD1 LEU A 29 0.583 -9.753 -11.576 1.00 0.00 C ATOM 396 CD2 LEU A 29 2.028 -7.724 -11.345 1.00 0.00 C ATOM 0 H LEU A 29 3.529 -11.410 -10.235 1.00 0.00 H new ATOM 0 HA LEU A 29 4.106 -8.779 -9.424 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.563 -10.437 -9.357 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.610 -8.717 -9.024 1.00 0.00 H new ATOM 0 HG LEU A 29 2.714 -9.724 -11.627 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.476 -9.535 -12.639 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.542 -10.831 -11.421 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.227 -9.276 -11.024 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.901 -7.533 -12.411 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.253 -7.198 -10.787 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.008 -7.369 -11.027 1.00 0.00 H new ATOM 408 N LYS A 30 4.335 -8.804 -6.970 1.00 0.00 N ATOM 409 CA LYS A 30 4.446 -8.744 -5.517 1.00 0.00 C ATOM 410 C LYS A 30 3.479 -7.716 -4.939 1.00 0.00 C ATOM 411 O LYS A 30 3.317 -6.626 -5.488 1.00 0.00 O ATOM 412 CB LYS A 30 5.880 -8.397 -5.109 1.00 0.00 C ATOM 413 CG LYS A 30 6.197 -6.914 -5.204 1.00 0.00 C ATOM 414 CD LYS A 30 7.401 -6.546 -4.353 1.00 0.00 C ATOM 415 CE LYS A 30 8.688 -6.584 -5.163 1.00 0.00 C ATOM 416 NZ LYS A 30 9.823 -5.957 -4.430 1.00 0.00 N ATOM 0 H LYS A 30 4.895 -8.110 -7.464 1.00 0.00 H new ATOM 0 HA LYS A 30 4.188 -9.724 -5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.049 -8.731 -4.085 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.573 -8.950 -5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.390 -6.648 -6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.332 -6.335 -4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.262 -5.549 -3.936 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.478 -7.236 -3.512 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.937 -7.618 -5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.537 -6.066 -6.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.682 -6.003 -5.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.597 -4.963 -4.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.984 -6.467 -3.538 1.00 0.00 H new ATOM 430 N GLU A 31 2.840 -8.070 -3.829 1.00 0.00 N ATOM 431 CA GLU A 31 1.889 -7.176 -3.177 1.00 0.00 C ATOM 432 C GLU A 31 1.229 -6.249 -4.194 1.00 0.00 C ATOM 433 O GLU A 31 1.248 -5.026 -4.060 1.00 0.00 O ATOM 434 CB GLU A 31 2.590 -6.350 -2.097 1.00 0.00 C ATOM 435 CG GLU A 31 3.102 -7.181 -0.932 1.00 0.00 C ATOM 436 CD GLU A 31 4.272 -8.066 -1.316 1.00 0.00 C ATOM 437 OE1 GLU A 31 5.228 -7.551 -1.933 1.00 0.00 O ATOM 438 OE2 GLU A 31 4.230 -9.273 -0.999 1.00 0.00 O ATOM 0 H GLU A 31 2.963 -8.969 -3.362 1.00 0.00 H new ATOM 0 HA GLU A 31 1.115 -7.787 -2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.427 -5.815 -2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.897 -5.598 -1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.404 -6.517 -0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.292 -7.802 -0.550 1.00 0.00 H new ATOM 445 N PRO A 32 0.631 -6.845 -5.237 1.00 0.00 N ATOM 446 CA PRO A 32 -0.046 -6.092 -6.297 1.00 0.00 C ATOM 447 C PRO A 32 -1.332 -5.434 -5.810 1.00 0.00 C ATOM 448 O PRO A 32 -1.858 -5.783 -4.752 1.00 0.00 O ATOM 449 CB PRO A 32 -0.357 -7.161 -7.347 1.00 0.00 C ATOM 450 CG PRO A 32 -0.423 -8.437 -6.581 1.00 0.00 C ATOM 451 CD PRO A 32 0.570 -8.299 -5.460 1.00 0.00 C ATOM 0 HA PRO A 32 0.568 -5.273 -6.671 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.299 -6.955 -7.855 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.417 -7.199 -8.114 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.427 -8.608 -6.194 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.178 -9.287 -7.217 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.243 -8.830 -4.566 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.544 -8.705 -5.733 1.00 0.00 H new ATOM 459 N VAL A 33 -1.835 -4.480 -6.587 1.00 0.00 N ATOM 460 CA VAL A 33 -3.061 -3.774 -6.236 1.00 0.00 C ATOM 461 C VAL A 33 -3.978 -3.629 -7.445 1.00 0.00 C ATOM 462 O VAL A 33 -3.562 -3.145 -8.497 1.00 0.00 O ATOM 463 CB VAL A 33 -2.759 -2.376 -5.664 1.00 0.00 C ATOM 464 CG1 VAL A 33 -1.925 -2.486 -4.397 1.00 0.00 C ATOM 465 CG2 VAL A 33 -2.055 -1.517 -6.703 1.00 0.00 C ATOM 0 H VAL A 33 -1.412 -4.178 -7.465 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.562 -4.370 -5.474 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.703 -1.895 -5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.722 -1.488 -4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.471 -3.063 -3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.983 -2.986 -4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.849 -0.533 -6.282 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.117 -1.991 -6.992 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.693 -1.410 -7.580 1.00 0.00 H new ATOM 475 N SER A 34 -5.228 -4.053 -7.287 1.00 0.00 N ATOM 476 CA SER A 34 -6.204 -3.973 -8.367 1.00 0.00 C ATOM 477 C SER A 34 -6.611 -2.526 -8.626 1.00 0.00 C ATOM 478 O SER A 34 -6.582 -1.690 -7.723 1.00 0.00 O ATOM 479 CB SER A 34 -7.440 -4.810 -8.028 1.00 0.00 C ATOM 480 OG SER A 34 -7.956 -4.465 -6.754 1.00 0.00 O ATOM 0 H SER A 34 -5.588 -4.455 -6.422 1.00 0.00 H new ATOM 0 HA SER A 34 -5.742 -4.369 -9.271 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.206 -4.657 -8.788 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.182 -5.869 -8.045 1.00 0.00 H new ATOM 0 HG SER A 34 -8.746 -5.012 -6.562 1.00 0.00 H new ATOM 486 N ALA A 35 -6.991 -2.238 -9.867 1.00 0.00 N ATOM 487 CA ALA A 35 -7.406 -0.893 -10.246 1.00 0.00 C ATOM 488 C ALA A 35 -8.737 -0.919 -10.989 1.00 0.00 C ATOM 489 O ALA A 35 -9.263 -1.986 -11.304 1.00 0.00 O ATOM 490 CB ALA A 35 -6.335 -0.231 -11.099 1.00 0.00 C ATOM 0 H ALA A 35 -7.020 -2.918 -10.627 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.540 -0.310 -9.335 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.658 0.773 -11.375 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.405 -0.170 -10.533 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.173 -0.821 -12.001 1.00 0.00 H new ATOM 496 N ASP A 36 -9.277 0.263 -11.266 1.00 0.00 N ATOM 497 CA ASP A 36 -10.548 0.376 -11.973 1.00 0.00 C ATOM 498 C ASP A 36 -10.517 -0.416 -13.276 1.00 0.00 C ATOM 499 O ASP A 36 -11.511 -1.028 -13.668 1.00 0.00 O ATOM 500 CB ASP A 36 -10.866 1.844 -12.262 1.00 0.00 C ATOM 501 CG ASP A 36 -11.519 2.538 -11.083 1.00 0.00 C ATOM 502 OD1 ASP A 36 -11.232 2.147 -9.932 1.00 0.00 O ATOM 503 OD2 ASP A 36 -12.317 3.471 -11.311 1.00 0.00 O ATOM 0 H ASP A 36 -8.855 1.156 -11.012 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.329 -0.038 -11.335 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.946 2.367 -12.524 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.526 1.906 -13.127 1.00 0.00 H new ATOM 508 N CYS A 37 -9.369 -0.401 -13.945 1.00 0.00 N ATOM 509 CA CYS A 37 -9.207 -1.116 -15.205 1.00 0.00 C ATOM 510 C CYS A 37 -8.827 -2.573 -14.959 1.00 0.00 C ATOM 511 O CYS A 37 -8.028 -3.150 -15.695 1.00 0.00 O ATOM 512 CB CYS A 37 -8.141 -0.438 -16.068 1.00 0.00 C ATOM 513 SG CYS A 37 -6.545 -0.195 -15.223 1.00 0.00 S ATOM 0 H CYS A 37 -8.536 0.099 -13.635 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.161 -1.092 -15.732 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.978 -1.038 -16.964 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.517 0.531 -16.397 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.638 0.131 -16.095 1.00 0.00 H new ATOM 518 N ASN A 38 -9.405 -3.162 -13.917 1.00 0.00 N ATOM 519 CA ASN A 38 -9.127 -4.551 -13.572 1.00 0.00 C ATOM 520 C ASN A 38 -7.675 -4.907 -13.878 1.00 0.00 C ATOM 521 O ASN A 38 -7.386 -5.978 -14.413 1.00 0.00 O ATOM 522 CB ASN A 38 -10.065 -5.486 -14.338 1.00 0.00 C ATOM 523 CG ASN A 38 -9.984 -6.918 -13.844 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.328 -7.761 -14.455 1.00 0.00 O ATOM 525 ND2 ASN A 38 -10.655 -7.198 -12.733 1.00 0.00 N ATOM 0 H ASN A 38 -10.069 -2.698 -13.297 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.296 -4.675 -12.502 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -11.090 -5.128 -14.240 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.817 -5.456 -15.399 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -10.640 -8.144 -12.353 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.186 -6.467 -12.260 1.00 0.00 H new ATOM 532 N HIS A 39 -6.764 -4.002 -13.534 1.00 0.00 N ATOM 533 CA HIS A 39 -5.342 -4.220 -13.771 1.00 0.00 C ATOM 534 C HIS A 39 -4.547 -4.070 -12.477 1.00 0.00 C ATOM 535 O HIS A 39 -4.706 -3.089 -11.750 1.00 0.00 O ATOM 536 CB HIS A 39 -4.821 -3.238 -14.820 1.00 0.00 C ATOM 537 CG HIS A 39 -5.363 -3.487 -16.194 1.00 0.00 C ATOM 538 ND1 HIS A 39 -5.312 -2.549 -17.204 1.00 0.00 N ATOM 539 CD2 HIS A 39 -5.968 -4.576 -16.724 1.00 0.00 C ATOM 540 CE1 HIS A 39 -5.864 -3.050 -18.295 1.00 0.00 C ATOM 541 NE2 HIS A 39 -6.270 -4.279 -18.030 1.00 0.00 N ATOM 0 H HIS A 39 -6.986 -3.111 -13.090 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.212 -5.237 -14.141 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.078 -2.223 -14.515 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.733 -3.296 -14.851 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.911 -1.615 -17.122 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.175 -5.505 -16.214 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.966 -2.541 -19.242 1.00 0.00 H new ATOM 549 N SER A 40 -3.691 -5.047 -12.197 1.00 0.00 N ATOM 550 CA SER A 40 -2.874 -5.026 -10.989 1.00 0.00 C ATOM 551 C SER A 40 -1.390 -4.990 -11.337 1.00 0.00 C ATOM 552 O SER A 40 -0.957 -5.587 -12.323 1.00 0.00 O ATOM 553 CB SER A 40 -3.177 -6.249 -10.121 1.00 0.00 C ATOM 554 OG SER A 40 -4.499 -6.200 -9.614 1.00 0.00 O ATOM 0 H SER A 40 -3.545 -5.864 -12.790 1.00 0.00 H new ATOM 0 HA SER A 40 -3.120 -4.123 -10.430 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.043 -7.158 -10.708 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.469 -6.296 -9.294 1.00 0.00 H new ATOM 0 HG SER A 40 -4.668 -6.993 -9.064 1.00 0.00 H new ATOM 560 N PHE A 41 -0.614 -4.284 -10.521 1.00 0.00 N ATOM 561 CA PHE A 41 0.823 -4.168 -10.742 1.00 0.00 C ATOM 562 C PHE A 41 1.576 -4.130 -9.416 1.00 0.00 C ATOM 563 O PHE A 41 1.021 -3.752 -8.384 1.00 0.00 O ATOM 564 CB PHE A 41 1.135 -2.911 -11.556 1.00 0.00 C ATOM 565 CG PHE A 41 0.072 -2.567 -12.560 1.00 0.00 C ATOM 566 CD1 PHE A 41 -1.086 -1.915 -12.167 1.00 0.00 C ATOM 567 CD2 PHE A 41 0.231 -2.895 -13.897 1.00 0.00 C ATOM 568 CE1 PHE A 41 -2.066 -1.597 -13.088 1.00 0.00 C ATOM 569 CE2 PHE A 41 -0.745 -2.579 -14.822 1.00 0.00 C ATOM 570 CZ PHE A 41 -1.896 -1.930 -14.417 1.00 0.00 C ATOM 0 H PHE A 41 -0.956 -3.784 -9.701 1.00 0.00 H new ATOM 0 HA PHE A 41 1.152 -5.045 -11.300 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.266 -2.070 -10.875 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.083 -3.051 -12.076 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.224 -1.652 -11.129 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.128 -3.403 -14.219 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.964 -1.089 -12.769 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.609 -2.839 -15.861 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.661 -1.684 -15.139 1.00 0.00 H new ATOM 580 N CYS A 42 2.845 -4.524 -9.451 1.00 0.00 N ATOM 581 CA CYS A 42 3.676 -4.536 -8.253 1.00 0.00 C ATOM 582 C CYS A 42 3.574 -3.209 -7.507 1.00 0.00 C ATOM 583 O CYS A 42 3.855 -2.148 -8.065 1.00 0.00 O ATOM 584 CB CYS A 42 5.134 -4.816 -8.622 1.00 0.00 C ATOM 585 SG CYS A 42 5.355 -6.209 -9.774 1.00 0.00 S ATOM 0 H CYS A 42 3.320 -4.839 -10.297 1.00 0.00 H new ATOM 0 HA CYS A 42 3.315 -5.329 -7.598 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.564 -3.919 -9.067 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.696 -5.020 -7.710 1.00 0.00 H new ATOM 0 HG CYS A 42 5.086 -5.818 -10.984 1.00 0.00 H new ATOM 590 N ARG A 43 3.170 -3.277 -6.243 1.00 0.00 N ATOM 591 CA ARG A 43 3.030 -2.082 -5.420 1.00 0.00 C ATOM 592 C ARG A 43 4.098 -1.050 -5.773 1.00 0.00 C ATOM 593 O ARG A 43 3.818 0.145 -5.852 1.00 0.00 O ATOM 594 CB ARG A 43 3.126 -2.443 -3.937 1.00 0.00 C ATOM 595 CG ARG A 43 2.358 -1.497 -3.028 1.00 0.00 C ATOM 596 CD ARG A 43 2.035 -2.147 -1.692 1.00 0.00 C ATOM 597 NE ARG A 43 1.968 -1.169 -0.610 1.00 0.00 N ATOM 598 CZ ARG A 43 0.976 -0.296 -0.468 1.00 0.00 C ATOM 599 NH1 ARG A 43 -0.026 -0.281 -1.336 1.00 0.00 N ATOM 600 NH2 ARG A 43 0.985 0.563 0.543 1.00 0.00 N ATOM 0 H ARG A 43 2.934 -4.147 -5.766 1.00 0.00 H new ATOM 0 HA ARG A 43 2.050 -1.648 -5.619 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.750 -3.456 -3.793 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.175 -2.447 -3.640 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.945 -0.594 -2.862 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.434 -1.191 -3.518 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.083 -2.672 -1.765 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.794 -2.894 -1.459 1.00 0.00 H new ATOM 0 HE ARG A 43 2.724 -1.155 0.075 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.036 -0.940 -2.114 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.787 0.390 -1.225 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.754 0.554 1.213 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.223 1.232 0.650 1.00 0.00 H new ATOM 614 N ALA A 44 5.322 -1.523 -5.985 1.00 0.00 N ATOM 615 CA ALA A 44 6.431 -0.643 -6.331 1.00 0.00 C ATOM 616 C ALA A 44 6.309 -0.144 -7.767 1.00 0.00 C ATOM 617 O ALA A 44 6.194 1.058 -8.010 1.00 0.00 O ATOM 618 CB ALA A 44 7.757 -1.361 -6.131 1.00 0.00 C ATOM 0 H ALA A 44 5.570 -2.510 -5.923 1.00 0.00 H new ATOM 0 HA ALA A 44 6.395 0.222 -5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.576 -0.692 -6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.854 -1.662 -5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.792 -2.245 -6.768 1.00 0.00 H new ATOM 624 N CYS A 45 6.334 -1.074 -8.716 1.00 0.00 N ATOM 625 CA CYS A 45 6.227 -0.730 -10.128 1.00 0.00 C ATOM 626 C CYS A 45 5.200 0.379 -10.341 1.00 0.00 C ATOM 627 O CYS A 45 5.543 1.482 -10.767 1.00 0.00 O ATOM 628 CB CYS A 45 5.840 -1.963 -10.947 1.00 0.00 C ATOM 629 SG CYS A 45 7.196 -3.158 -11.177 1.00 0.00 S ATOM 0 H CYS A 45 6.428 -2.073 -8.532 1.00 0.00 H new ATOM 0 HA CYS A 45 7.200 -0.370 -10.464 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.007 -2.465 -10.456 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.485 -1.639 -11.926 1.00 0.00 H new ATOM 0 HG CYS A 45 6.818 -4.329 -10.759 1.00 0.00 H new ATOM 634 N ILE A 46 3.942 0.077 -10.042 1.00 0.00 N ATOM 635 CA ILE A 46 2.866 1.048 -10.199 1.00 0.00 C ATOM 636 C ILE A 46 3.272 2.412 -9.652 1.00 0.00 C ATOM 637 O ILE A 46 2.867 3.450 -10.176 1.00 0.00 O ATOM 638 CB ILE A 46 1.580 0.584 -9.489 1.00 0.00 C ATOM 639 CG1 ILE A 46 0.384 1.415 -9.958 1.00 0.00 C ATOM 640 CG2 ILE A 46 1.743 0.684 -7.980 1.00 0.00 C ATOM 641 CD1 ILE A 46 -0.952 0.768 -9.669 1.00 0.00 C ATOM 0 H ILE A 46 3.642 -0.832 -9.690 1.00 0.00 H new ATOM 0 HA ILE A 46 2.670 1.132 -11.268 1.00 0.00 H new ATOM 0 HB ILE A 46 1.396 -0.459 -9.746 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.418 2.391 -9.474 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.470 1.588 -11.031 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.826 0.353 -7.492 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.572 0.053 -7.661 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.947 1.718 -7.704 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.754 1.413 -10.029 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.007 -0.196 -10.175 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.060 0.620 -8.594 1.00 0.00 H new ATOM 653 N THR A 47 4.076 2.403 -8.594 1.00 0.00 N ATOM 654 CA THR A 47 4.538 3.639 -7.975 1.00 0.00 C ATOM 655 C THR A 47 5.602 4.318 -8.830 1.00 0.00 C ATOM 656 O THR A 47 5.438 5.466 -9.247 1.00 0.00 O ATOM 657 CB THR A 47 5.113 3.383 -6.569 1.00 0.00 C ATOM 658 OG1 THR A 47 4.156 2.680 -5.769 1.00 0.00 O ATOM 659 CG2 THR A 47 5.485 4.692 -5.889 1.00 0.00 C ATOM 0 H THR A 47 4.421 1.553 -8.148 1.00 0.00 H new ATOM 0 HA THR A 47 3.670 4.293 -7.891 1.00 0.00 H new ATOM 0 HB THR A 47 6.013 2.778 -6.674 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.934 1.827 -6.198 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.889 4.485 -4.898 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.235 5.211 -6.485 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.598 5.319 -5.796 1.00 0.00 H new ATOM 667 N LEU A 48 6.691 3.604 -9.088 1.00 0.00 N ATOM 668 CA LEU A 48 7.783 4.137 -9.896 1.00 0.00 C ATOM 669 C LEU A 48 7.258 4.722 -11.203 1.00 0.00 C ATOM 670 O LEU A 48 7.725 5.765 -11.659 1.00 0.00 O ATOM 671 CB LEU A 48 8.809 3.042 -10.190 1.00 0.00 C ATOM 672 CG LEU A 48 8.629 2.291 -11.509 1.00 0.00 C ATOM 673 CD1 LEU A 48 9.104 3.141 -12.677 1.00 0.00 C ATOM 674 CD2 LEU A 48 9.376 0.965 -11.474 1.00 0.00 C ATOM 0 H LEU A 48 6.842 2.654 -8.750 1.00 0.00 H new ATOM 0 HA LEU A 48 8.265 4.934 -9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.802 3.491 -10.183 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.781 2.318 -9.376 1.00 0.00 H new ATOM 0 HG LEU A 48 7.567 2.084 -11.645 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.968 2.590 -13.607 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.525 4.064 -12.714 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.160 3.380 -12.548 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.237 0.444 -12.421 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.438 1.150 -11.314 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.989 0.350 -10.661 1.00 0.00 H new ATOM 686 N ASN A 49 6.283 4.044 -11.799 1.00 0.00 N ATOM 687 CA ASN A 49 5.692 4.498 -13.053 1.00 0.00 C ATOM 688 C ASN A 49 4.891 5.779 -12.845 1.00 0.00 C ATOM 689 O ASN A 49 5.060 6.756 -13.576 1.00 0.00 O ATOM 690 CB ASN A 49 4.791 3.409 -13.640 1.00 0.00 C ATOM 691 CG ASN A 49 4.624 3.545 -15.141 1.00 0.00 C ATOM 692 OD1 ASN A 49 3.750 4.270 -15.617 1.00 0.00 O ATOM 693 ND2 ASN A 49 5.464 2.845 -15.895 1.00 0.00 N ATOM 0 H ASN A 49 5.885 3.178 -11.434 1.00 0.00 H new ATOM 0 HA ASN A 49 6.501 4.707 -13.752 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.212 2.430 -13.411 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.812 3.454 -13.163 1.00 0.00 H new ATOM 0 HD21 ASN A 49 5.400 2.896 -16.912 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.173 2.257 -15.457 1.00 0.00 H new ATOM 700 N TYR A 50 4.019 5.769 -11.843 1.00 0.00 N ATOM 701 CA TYR A 50 3.190 6.929 -11.539 1.00 0.00 C ATOM 702 C TYR A 50 4.052 8.153 -11.243 1.00 0.00 C ATOM 703 O TYR A 50 3.870 9.212 -11.842 1.00 0.00 O ATOM 704 CB TYR A 50 2.278 6.633 -10.347 1.00 0.00 C ATOM 705 CG TYR A 50 1.855 7.870 -9.587 1.00 0.00 C ATOM 706 CD1 TYR A 50 0.793 8.651 -10.028 1.00 0.00 C ATOM 707 CD2 TYR A 50 2.515 8.256 -8.427 1.00 0.00 C ATOM 708 CE1 TYR A 50 0.403 9.781 -9.337 1.00 0.00 C ATOM 709 CE2 TYR A 50 2.131 9.385 -7.729 1.00 0.00 C ATOM 710 CZ TYR A 50 1.075 10.144 -8.188 1.00 0.00 C ATOM 711 OH TYR A 50 0.689 11.269 -7.496 1.00 0.00 O ATOM 0 H TYR A 50 3.868 4.970 -11.227 1.00 0.00 H new ATOM 0 HA TYR A 50 2.575 7.143 -12.413 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.388 6.112 -10.701 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.793 5.956 -9.665 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.264 8.369 -10.926 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.342 7.664 -8.065 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.424 10.377 -9.694 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.655 9.671 -6.829 1.00 0.00 H new ATOM 0 HH TYR A 50 1.264 11.383 -6.710 1.00 0.00 H new ATOM 721 N GLU A 51 4.991 7.996 -10.316 1.00 0.00 N ATOM 722 CA GLU A 51 5.882 9.087 -9.940 1.00 0.00 C ATOM 723 C GLU A 51 6.373 9.839 -11.174 1.00 0.00 C ATOM 724 O GLU A 51 6.145 11.040 -11.313 1.00 0.00 O ATOM 725 CB GLU A 51 7.076 8.551 -9.147 1.00 0.00 C ATOM 726 CG GLU A 51 6.722 8.112 -7.736 1.00 0.00 C ATOM 727 CD GLU A 51 6.728 9.263 -6.749 1.00 0.00 C ATOM 728 OE1 GLU A 51 7.626 10.126 -6.848 1.00 0.00 O ATOM 729 OE2 GLU A 51 5.835 9.301 -5.877 1.00 0.00 O ATOM 0 H GLU A 51 5.154 7.125 -9.812 1.00 0.00 H new ATOM 0 HA GLU A 51 5.321 9.780 -9.313 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.508 7.706 -9.684 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.844 9.323 -9.096 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.736 7.647 -7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.431 7.352 -7.407 1.00 0.00 H new ATOM 861 N ASN A 61 -1.205 7.409 -15.153 1.00 0.00 N ATOM 862 CA ASN A 61 -1.584 6.700 -16.370 1.00 0.00 C ATOM 863 C ASN A 61 -1.225 5.220 -16.272 1.00 0.00 C ATOM 864 O ASN A 61 -0.171 4.859 -15.748 1.00 0.00 O ATOM 865 CB ASN A 61 -0.893 7.323 -17.585 1.00 0.00 C ATOM 866 CG ASN A 61 -1.259 8.783 -17.772 1.00 0.00 C ATOM 867 OD1 ASN A 61 -2.308 9.105 -18.329 1.00 0.00 O ATOM 868 ND2 ASN A 61 -0.392 9.675 -17.306 1.00 0.00 N ATOM 0 HA ASN A 61 -2.664 6.787 -16.489 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.187 7.234 -17.471 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.166 6.765 -18.481 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.584 10.672 -17.403 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.466 9.363 -16.851 1.00 0.00 H new ATOM 875 N CYS A 62 -2.110 4.368 -16.779 1.00 0.00 N ATOM 876 CA CYS A 62 -1.888 2.927 -16.749 1.00 0.00 C ATOM 877 C CYS A 62 -0.936 2.500 -17.862 1.00 0.00 C ATOM 878 O CYS A 62 -1.120 2.834 -19.033 1.00 0.00 O ATOM 879 CB CYS A 62 -3.218 2.183 -16.887 1.00 0.00 C ATOM 880 SG CYS A 62 -3.093 0.384 -16.629 1.00 0.00 S ATOM 0 H CYS A 62 -2.988 4.650 -17.216 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.435 2.674 -15.791 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.928 2.594 -16.169 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.625 2.369 -17.881 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.552 0.148 -15.471 1.00 0.00 H new ATOM 885 N PRO A 63 0.107 1.742 -17.491 1.00 0.00 N ATOM 886 CA PRO A 63 1.108 1.252 -18.442 1.00 0.00 C ATOM 887 C PRO A 63 0.545 0.190 -19.380 1.00 0.00 C ATOM 888 O PRO A 63 1.283 -0.431 -20.146 1.00 0.00 O ATOM 889 CB PRO A 63 2.189 0.651 -17.541 1.00 0.00 C ATOM 890 CG PRO A 63 1.475 0.281 -16.287 1.00 0.00 C ATOM 891 CD PRO A 63 0.388 1.306 -16.113 1.00 0.00 C ATOM 0 HA PRO A 63 1.471 2.045 -19.096 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.652 -0.220 -18.005 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.986 1.369 -17.346 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.057 -0.723 -16.357 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.155 0.284 -15.435 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.495 0.878 -15.639 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.715 2.137 -15.487 1.00 0.00 H new ATOM 899 N VAL A 64 -0.767 -0.015 -19.316 1.00 0.00 N ATOM 900 CA VAL A 64 -1.429 -1.001 -20.161 1.00 0.00 C ATOM 901 C VAL A 64 -2.525 -0.357 -21.003 1.00 0.00 C ATOM 902 O VAL A 64 -2.466 -0.368 -22.233 1.00 0.00 O ATOM 903 CB VAL A 64 -2.042 -2.138 -19.322 1.00 0.00 C ATOM 904 CG1 VAL A 64 -2.818 -3.099 -20.210 1.00 0.00 C ATOM 905 CG2 VAL A 64 -0.959 -2.872 -18.547 1.00 0.00 C ATOM 0 H VAL A 64 -1.392 0.489 -18.687 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.666 -1.416 -20.820 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.737 -1.702 -18.605 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.244 -3.895 -19.600 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.620 -2.561 -20.715 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.147 -3.530 -20.953 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.410 -3.672 -17.960 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.237 -3.297 -19.244 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.452 -2.174 -17.880 1.00 0.00 H new ATOM 915 N CYS A 65 -3.525 0.205 -20.332 1.00 0.00 N ATOM 916 CA CYS A 65 -4.636 0.855 -21.017 1.00 0.00 C ATOM 917 C CYS A 65 -4.485 2.373 -20.979 1.00 0.00 C ATOM 918 O CYS A 65 -5.217 3.097 -21.653 1.00 0.00 O ATOM 919 CB CYS A 65 -5.965 0.447 -20.378 1.00 0.00 C ATOM 920 SG CYS A 65 -6.079 0.816 -18.598 1.00 0.00 S ATOM 0 H CYS A 65 -3.589 0.223 -19.314 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.627 0.533 -22.058 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.777 0.957 -20.897 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -6.114 -0.622 -20.527 1.00 0.00 H new ATOM 0 HG CYS A 65 -4.956 0.509 -18.018 1.00 0.00 H new ATOM 925 N ARG A 66 -3.530 2.847 -20.185 1.00 0.00 N ATOM 926 CA ARG A 66 -3.283 4.278 -20.058 1.00 0.00 C ATOM 927 C ARG A 66 -4.555 5.015 -19.650 1.00 0.00 C ATOM 928 O ARG A 66 -4.967 5.974 -20.304 1.00 0.00 O ATOM 929 CB ARG A 66 -2.753 4.845 -21.376 1.00 0.00 C ATOM 930 CG ARG A 66 -1.320 4.441 -21.681 1.00 0.00 C ATOM 931 CD ARG A 66 -1.243 3.021 -22.217 1.00 0.00 C ATOM 932 NE ARG A 66 -2.000 2.863 -23.457 1.00 0.00 N ATOM 933 CZ ARG A 66 -1.509 3.146 -24.658 1.00 0.00 C ATOM 934 NH1 ARG A 66 -0.269 3.598 -24.782 1.00 0.00 N ATOM 935 NH2 ARG A 66 -2.259 2.975 -25.740 1.00 0.00 N ATOM 0 H ARG A 66 -2.915 2.261 -19.620 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.533 4.424 -19.280 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.397 4.511 -22.190 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.816 5.933 -21.345 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.894 5.130 -22.411 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.718 4.523 -20.776 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.200 2.755 -22.392 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.627 2.329 -21.467 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.957 2.517 -23.397 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.311 3.729 -23.953 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.105 3.814 -25.706 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.213 2.626 -25.649 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.881 3.193 -26.662 1.00 0.00 H new ATOM 949 N VAL A 67 -5.175 4.560 -18.565 1.00 0.00 N ATOM 950 CA VAL A 67 -6.400 5.176 -18.070 1.00 0.00 C ATOM 951 C VAL A 67 -6.144 5.949 -16.781 1.00 0.00 C ATOM 952 O VAL A 67 -5.441 5.488 -15.880 1.00 0.00 O ATOM 953 CB VAL A 67 -7.494 4.123 -17.815 1.00 0.00 C ATOM 954 CG1 VAL A 67 -7.145 3.272 -16.604 1.00 0.00 C ATOM 955 CG2 VAL A 67 -8.847 4.794 -17.634 1.00 0.00 C ATOM 0 H VAL A 67 -4.849 3.767 -18.013 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.742 5.865 -18.842 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.553 3.468 -18.684 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.930 2.534 -16.440 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.198 2.762 -16.779 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.057 3.910 -15.724 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.608 4.035 -17.455 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.805 5.474 -16.783 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.098 5.355 -18.534 1.00 0.00 H new ATOM 965 N PRO A 68 -6.727 7.153 -16.687 1.00 0.00 N ATOM 966 CA PRO A 68 -6.577 8.016 -15.512 1.00 0.00 C ATOM 967 C PRO A 68 -7.302 7.462 -14.290 1.00 0.00 C ATOM 968 O PRO A 68 -8.530 7.510 -14.210 1.00 0.00 O ATOM 969 CB PRO A 68 -7.212 9.336 -15.957 1.00 0.00 C ATOM 970 CG PRO A 68 -8.182 8.950 -17.020 1.00 0.00 C ATOM 971 CD PRO A 68 -7.577 7.766 -17.722 1.00 0.00 C ATOM 0 HA PRO A 68 -5.535 8.110 -15.206 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.712 9.835 -15.127 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.461 10.028 -16.338 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.151 8.696 -16.590 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.347 9.773 -17.715 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.342 7.074 -18.075 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.995 8.069 -18.592 1.00 0.00 H new ATOM 979 N TYR A 69 -6.535 6.936 -13.341 1.00 0.00 N ATOM 980 CA TYR A 69 -7.105 6.371 -12.124 1.00 0.00 C ATOM 981 C TYR A 69 -6.678 7.173 -10.899 1.00 0.00 C ATOM 982 O TYR A 69 -5.570 7.705 -10.828 1.00 0.00 O ATOM 983 CB TYR A 69 -6.677 4.911 -11.966 1.00 0.00 C ATOM 984 CG TYR A 69 -5.182 4.729 -11.836 1.00 0.00 C ATOM 985 CD1 TYR A 69 -4.541 4.930 -10.619 1.00 0.00 C ATOM 986 CD2 TYR A 69 -4.410 4.356 -12.929 1.00 0.00 C ATOM 987 CE1 TYR A 69 -3.175 4.766 -10.496 1.00 0.00 C ATOM 988 CE2 TYR A 69 -3.044 4.188 -12.814 1.00 0.00 C ATOM 989 CZ TYR A 69 -2.431 4.394 -11.596 1.00 0.00 C ATOM 990 OH TYR A 69 -1.070 4.229 -11.478 1.00 0.00 O ATOM 0 H TYR A 69 -5.517 6.889 -13.391 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.191 6.418 -12.206 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.163 4.492 -11.085 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.030 4.342 -12.826 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.121 5.219 -9.755 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.886 4.195 -13.885 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.692 4.928 -9.544 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.459 3.897 -13.674 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.696 3.965 -12.345 1.00 0.00 H new ATOM 1000 N PRO A 70 -7.578 7.262 -9.908 1.00 0.00 N ATOM 1001 CA PRO A 70 -7.318 7.996 -8.666 1.00 0.00 C ATOM 1002 C PRO A 70 -6.278 7.305 -7.791 1.00 0.00 C ATOM 1003 O PRO A 70 -6.591 6.362 -7.064 1.00 0.00 O ATOM 1004 CB PRO A 70 -8.681 8.007 -7.969 1.00 0.00 C ATOM 1005 CG PRO A 70 -9.391 6.812 -8.505 1.00 0.00 C ATOM 1006 CD PRO A 70 -8.919 6.652 -9.924 1.00 0.00 C ATOM 0 HA PRO A 70 -6.913 8.990 -8.857 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.572 7.950 -6.886 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.229 8.924 -8.186 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.162 5.925 -7.915 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.472 6.950 -8.466 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.880 5.603 -10.219 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.582 7.156 -10.627 1.00 0.00 H new ATOM 1014 N PHE A 71 -5.039 7.780 -7.866 1.00 0.00 N ATOM 1015 CA PHE A 71 -3.952 7.207 -7.080 1.00 0.00 C ATOM 1016 C PHE A 71 -4.345 7.093 -5.610 1.00 0.00 C ATOM 1017 O PHE A 71 -4.647 8.091 -4.958 1.00 0.00 O ATOM 1018 CB PHE A 71 -2.690 8.061 -7.218 1.00 0.00 C ATOM 1019 CG PHE A 71 -1.480 7.451 -6.570 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -0.798 6.413 -7.183 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -1.025 7.916 -5.347 1.00 0.00 C ATOM 1022 CE1 PHE A 71 0.316 5.850 -6.590 1.00 0.00 C ATOM 1023 CE2 PHE A 71 0.089 7.358 -4.748 1.00 0.00 C ATOM 1024 CZ PHE A 71 0.759 6.322 -5.370 1.00 0.00 C ATOM 0 H PHE A 71 -4.763 8.560 -8.463 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.749 6.206 -7.462 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.484 8.222 -8.276 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.874 9.041 -6.777 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.141 6.039 -8.136 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.547 8.724 -4.856 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.839 5.042 -7.080 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.435 7.731 -3.795 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.628 5.882 -4.903 1.00 0.00 H new ATOM 1034 N GLY A 72 -4.337 5.867 -5.095 1.00 0.00 N ATOM 1035 CA GLY A 72 -4.695 5.644 -3.707 1.00 0.00 C ATOM 1036 C GLY A 72 -5.872 4.700 -3.555 1.00 0.00 C ATOM 1037 O GLY A 72 -5.943 3.936 -2.594 1.00 0.00 O ATOM 0 H GLY A 72 -4.089 5.025 -5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.836 5.237 -3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.936 6.599 -3.240 1.00 0.00 H new ATOM 1041 N ASN A 73 -6.798 4.755 -4.507 1.00 0.00 N ATOM 1042 CA ASN A 73 -7.979 3.899 -4.474 1.00 0.00 C ATOM 1043 C ASN A 73 -7.661 2.511 -5.021 1.00 0.00 C ATOM 1044 O ASN A 73 -8.462 1.918 -5.744 1.00 0.00 O ATOM 1045 CB ASN A 73 -9.114 4.530 -5.283 1.00 0.00 C ATOM 1046 CG ASN A 73 -10.369 3.679 -5.280 1.00 0.00 C ATOM 1047 OD1 ASN A 73 -10.618 2.924 -4.340 1.00 0.00 O ATOM 1048 ND2 ASN A 73 -11.167 3.797 -6.335 1.00 0.00 N ATOM 0 H ASN A 73 -6.754 5.382 -5.310 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.294 3.797 -3.436 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.345 5.514 -4.874 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.783 4.681 -6.311 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.026 3.249 -6.389 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.921 4.435 -7.092 1.00 0.00 H new ATOM 1055 N LEU A 74 -6.486 1.998 -4.671 1.00 0.00 N ATOM 1056 CA LEU A 74 -6.061 0.679 -5.125 1.00 0.00 C ATOM 1057 C LEU A 74 -6.120 -0.334 -3.986 1.00 0.00 C ATOM 1058 O LEU A 74 -5.488 -0.153 -2.946 1.00 0.00 O ATOM 1059 CB LEU A 74 -4.642 0.746 -5.691 1.00 0.00 C ATOM 1060 CG LEU A 74 -4.379 1.848 -6.717 1.00 0.00 C ATOM 1061 CD1 LEU A 74 -2.931 2.307 -6.650 1.00 0.00 C ATOM 1062 CD2 LEU A 74 -4.723 1.365 -8.119 1.00 0.00 C ATOM 0 H LEU A 74 -5.811 2.476 -4.074 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.744 0.354 -5.910 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.947 0.877 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.411 -0.214 -6.152 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.019 2.698 -6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.764 3.092 -7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.718 2.694 -5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.272 1.465 -6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.530 2.163 -8.836 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.110 0.498 -8.366 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.776 1.088 -8.160 1.00 0.00 H new ATOM 1074 N LYS A 75 -6.882 -1.403 -4.191 1.00 0.00 N ATOM 1075 CA LYS A 75 -7.021 -2.449 -3.184 1.00 0.00 C ATOM 1076 C LYS A 75 -5.907 -3.483 -3.316 1.00 0.00 C ATOM 1077 O LYS A 75 -5.507 -3.862 -4.416 1.00 0.00 O ATOM 1078 CB LYS A 75 -8.384 -3.132 -3.315 1.00 0.00 C ATOM 1079 CG LYS A 75 -9.556 -2.213 -3.020 1.00 0.00 C ATOM 1080 CD LYS A 75 -9.921 -2.230 -1.545 1.00 0.00 C ATOM 1081 CE LYS A 75 -10.793 -3.427 -1.200 1.00 0.00 C ATOM 1082 NZ LYS A 75 -10.705 -3.779 0.245 1.00 0.00 N ATOM 0 H LYS A 75 -7.413 -1.568 -5.046 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.947 -1.985 -2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.488 -3.526 -4.326 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.421 -3.984 -2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.307 -1.196 -3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.418 -2.520 -3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.012 -2.256 -0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.446 -1.310 -1.289 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.829 -3.208 -1.458 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.489 -4.283 -1.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.313 -4.600 0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.721 -4.013 0.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.019 -2.971 0.819 1.00 0.00 H new ATOM 1096 N PRO A 76 -5.395 -3.951 -2.168 1.00 0.00 N ATOM 1097 CA PRO A 76 -4.322 -4.949 -2.129 1.00 0.00 C ATOM 1098 C PRO A 76 -4.791 -6.323 -2.594 1.00 0.00 C ATOM 1099 O PRO A 76 -5.827 -6.819 -2.152 1.00 0.00 O ATOM 1100 CB PRO A 76 -3.930 -4.990 -0.650 1.00 0.00 C ATOM 1101 CG PRO A 76 -5.150 -4.543 0.078 1.00 0.00 C ATOM 1102 CD PRO A 76 -5.825 -3.543 -0.820 1.00 0.00 C ATOM 0 HA PRO A 76 -3.499 -4.689 -2.795 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.634 -5.994 -0.347 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.084 -4.333 -0.446 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.809 -5.385 0.289 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.890 -4.094 1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.910 -3.578 -0.716 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.515 -2.523 -0.591 1.00 0.00 H new