USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 424 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 50 THR OG1 : rot 180:sc=0.000594 USER MOD Set 1.2: A 52 GLN : amide:sc= -0.0405 K(o=-0.04,f=-1.6!) USER MOD Set 2.1: A 16 TYR OH : rot 150:sc= -1.93! USER MOD Set 2.2: A 18 SER OG : rot -132:sc= 0.311! USER MOD Set 2.3: A 25 SER OG : rot -48:sc= -0.543! USER MOD Single : A 9 THR OG1 : rot 8:sc= 0.809 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 170:sc= -0.493 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.308 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.25 K(o=-1.2,f=-3.8!) USER MOD Single : A 36 ASN : amide:sc= -0.301 K(o=-0.3,f=-2.4!) USER MOD Single : A 37 ASN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS :FLIP no HE2:sc= -8.36! C(o=-12!,f=-8.4!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.00553 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -130:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 9 16.680 13.828 -3.573 1.00 0.00 N ATOM 2 CA THR A 9 15.719 14.022 -2.451 1.00 0.00 C ATOM 3 C THR A 9 14.469 13.175 -2.696 1.00 0.00 C ATOM 4 O THR A 9 13.357 13.662 -2.649 1.00 0.00 O ATOM 5 CB THR A 9 15.325 15.499 -2.363 1.00 0.00 C ATOM 6 OG1 THR A 9 16.239 16.276 -3.124 1.00 0.00 O ATOM 7 CG2 THR A 9 15.360 15.950 -0.903 1.00 0.00 C ATOM 0 HA THR A 9 16.188 13.715 -1.516 1.00 0.00 H new ATOM 0 HB THR A 9 14.318 15.633 -2.758 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.833 15.682 -3.628 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.080 17.001 -0.840 1.00 0.00 H new ATOM 0 HG22 THR A 9 14.659 15.352 -0.321 1.00 0.00 H new ATOM 0 HG23 THR A 9 16.366 15.819 -0.506 1.00 0.00 H new ATOM 17 N PHE A 10 14.643 11.908 -2.956 1.00 0.00 N ATOM 18 CA PHE A 10 13.465 11.030 -3.205 1.00 0.00 C ATOM 19 C PHE A 10 13.135 10.246 -1.933 1.00 0.00 C ATOM 20 O PHE A 10 13.702 10.482 -0.883 1.00 0.00 O ATOM 21 CB PHE A 10 13.789 10.052 -4.336 1.00 0.00 C ATOM 22 CG PHE A 10 13.287 10.623 -5.663 1.00 0.00 C ATOM 23 CD1 PHE A 10 13.171 11.990 -5.838 1.00 0.00 C ATOM 24 CD2 PHE A 10 12.936 9.780 -6.702 1.00 0.00 C ATOM 25 CE1 PHE A 10 12.712 12.505 -7.035 1.00 0.00 C ATOM 26 CE2 PHE A 10 12.478 10.296 -7.897 1.00 0.00 C ATOM 27 CZ PHE A 10 12.366 11.658 -8.063 1.00 0.00 C ATOM 0 H PHE A 10 15.550 11.443 -3.007 1.00 0.00 H new ATOM 0 HA PHE A 10 12.609 11.642 -3.487 1.00 0.00 H new ATOM 0 HB2 PHE A 10 14.864 9.880 -4.385 1.00 0.00 H new ATOM 0 HB3 PHE A 10 13.320 9.087 -4.142 1.00 0.00 H new ATOM 0 HD1 PHE A 10 13.441 12.659 -5.034 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.021 8.711 -6.577 1.00 0.00 H new ATOM 0 HE1 PHE A 10 12.625 13.574 -7.164 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.207 9.630 -8.703 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.007 12.061 -8.998 1.00 0.00 H new ATOM 37 N VAL A 11 12.224 9.316 -2.017 1.00 0.00 N ATOM 38 CA VAL A 11 11.859 8.518 -0.812 1.00 0.00 C ATOM 39 C VAL A 11 11.834 7.033 -1.180 1.00 0.00 C ATOM 40 O VAL A 11 11.498 6.665 -2.289 1.00 0.00 O ATOM 41 CB VAL A 11 10.479 8.949 -0.312 1.00 0.00 C ATOM 42 CG1 VAL A 11 9.993 7.966 0.755 1.00 0.00 C ATOM 43 CG2 VAL A 11 10.572 10.352 0.291 1.00 0.00 C ATOM 0 H VAL A 11 11.716 9.074 -2.868 1.00 0.00 H new ATOM 0 HA VAL A 11 12.594 8.685 -0.024 1.00 0.00 H new ATOM 0 HB VAL A 11 9.776 8.957 -1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.010 8.273 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.928 6.966 0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.695 7.958 1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.589 10.661 0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.275 10.344 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.918 11.052 -0.469 1.00 0.00 H new ATOM 53 N ALA A 12 12.184 6.175 -0.261 1.00 0.00 N ATOM 54 CA ALA A 12 12.179 4.715 -0.565 1.00 0.00 C ATOM 55 C ALA A 12 10.787 4.135 -0.307 1.00 0.00 C ATOM 56 O ALA A 12 10.413 3.860 0.815 1.00 0.00 O ATOM 57 CB ALA A 12 13.200 4.003 0.323 1.00 0.00 C ATOM 0 H ALA A 12 12.473 6.421 0.686 1.00 0.00 H new ATOM 0 HA ALA A 12 12.441 4.567 -1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.195 2.936 0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.193 4.409 0.133 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.940 4.156 1.371 1.00 0.00 H new ATOM 63 N LEU A 13 10.022 3.950 -1.345 1.00 0.00 N ATOM 64 CA LEU A 13 8.651 3.389 -1.183 1.00 0.00 C ATOM 65 C LEU A 13 8.716 2.050 -0.446 1.00 0.00 C ATOM 66 O LEU A 13 8.030 1.835 0.534 1.00 0.00 O ATOM 67 CB LEU A 13 8.037 3.160 -2.564 1.00 0.00 C ATOM 68 CG LEU A 13 7.176 4.359 -2.954 1.00 0.00 C ATOM 69 CD1 LEU A 13 6.511 4.078 -4.302 1.00 0.00 C ATOM 70 CD2 LEU A 13 6.100 4.586 -1.891 1.00 0.00 C ATOM 0 H LEU A 13 10.289 4.165 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 13 8.045 4.090 -0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.825 3.012 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.432 2.253 -2.557 1.00 0.00 H new ATOM 0 HG LEU A 13 7.800 5.250 -3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.894 4.930 -4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.278 3.915 -5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.886 3.188 -4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.487 5.442 -2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.471 3.699 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.574 4.779 -0.929 1.00 0.00 H new ATOM 82 N TYR A 14 9.534 1.144 -0.910 1.00 0.00 N ATOM 83 CA TYR A 14 9.636 -0.181 -0.234 1.00 0.00 C ATOM 84 C TYR A 14 11.087 -0.476 0.145 1.00 0.00 C ATOM 85 O TYR A 14 11.979 0.314 -0.092 1.00 0.00 O ATOM 86 CB TYR A 14 9.143 -1.264 -1.190 1.00 0.00 C ATOM 87 CG TYR A 14 7.721 -0.929 -1.639 1.00 0.00 C ATOM 88 CD1 TYR A 14 7.507 -0.087 -2.709 1.00 0.00 C ATOM 89 CD2 TYR A 14 6.634 -1.465 -0.981 1.00 0.00 C ATOM 90 CE1 TYR A 14 6.224 0.215 -3.118 1.00 0.00 C ATOM 91 CE2 TYR A 14 5.351 -1.164 -1.388 1.00 0.00 C ATOM 92 CZ TYR A 14 5.136 -0.321 -2.459 1.00 0.00 C ATOM 93 OH TYR A 14 3.852 -0.018 -2.867 1.00 0.00 O ATOM 0 H TYR A 14 10.134 1.264 -1.726 1.00 0.00 H new ATOM 0 HA TYR A 14 9.029 -0.166 0.671 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.804 -1.331 -2.054 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.162 -2.236 -0.698 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.350 0.340 -3.232 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.789 -2.125 -0.141 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.070 0.875 -3.959 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.508 -1.591 -0.865 1.00 0.00 H new ATOM 0 HH TYR A 14 3.208 -0.482 -2.292 1.00 0.00 H new ATOM 103 N ASP A 15 11.323 -1.618 0.733 1.00 0.00 N ATOM 104 CA ASP A 15 12.709 -1.984 1.135 1.00 0.00 C ATOM 105 C ASP A 15 13.318 -2.892 0.064 1.00 0.00 C ATOM 106 O ASP A 15 13.590 -4.051 0.305 1.00 0.00 O ATOM 107 CB ASP A 15 12.674 -2.724 2.474 1.00 0.00 C ATOM 108 CG ASP A 15 14.078 -2.748 3.081 1.00 0.00 C ATOM 109 OD1 ASP A 15 14.989 -3.189 2.400 1.00 0.00 O ATOM 110 OD2 ASP A 15 14.218 -2.326 4.217 1.00 0.00 O ATOM 0 H ASP A 15 10.611 -2.315 0.952 1.00 0.00 H new ATOM 0 HA ASP A 15 13.312 -1.082 1.238 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.980 -2.232 3.155 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.311 -3.742 2.330 1.00 0.00 H new ATOM 115 N TYR A 16 13.514 -2.366 -1.120 1.00 0.00 N ATOM 116 CA TYR A 16 14.104 -3.169 -2.236 1.00 0.00 C ATOM 117 C TYR A 16 15.106 -4.192 -1.690 1.00 0.00 C ATOM 118 O TYR A 16 16.227 -3.863 -1.356 1.00 0.00 O ATOM 119 CB TYR A 16 14.823 -2.222 -3.198 1.00 0.00 C ATOM 120 CG TYR A 16 15.657 -3.028 -4.196 1.00 0.00 C ATOM 121 CD1 TYR A 16 15.223 -4.258 -4.644 1.00 0.00 C ATOM 122 CD2 TYR A 16 16.854 -2.529 -4.669 1.00 0.00 C ATOM 123 CE1 TYR A 16 15.974 -4.979 -5.552 1.00 0.00 C ATOM 124 CE2 TYR A 16 17.604 -3.248 -5.577 1.00 0.00 C ATOM 125 CZ TYR A 16 17.170 -4.478 -6.026 1.00 0.00 C ATOM 126 OH TYR A 16 17.919 -5.196 -6.936 1.00 0.00 O ATOM 0 H TYR A 16 13.287 -1.402 -1.364 1.00 0.00 H new ATOM 0 HA TYR A 16 13.307 -3.703 -2.753 1.00 0.00 H new ATOM 0 HB2 TYR A 16 14.096 -1.609 -3.730 1.00 0.00 H new ATOM 0 HB3 TYR A 16 15.466 -1.541 -2.640 1.00 0.00 H new ATOM 0 HD1 TYR A 16 14.289 -4.661 -4.282 1.00 0.00 H new ATOM 0 HD2 TYR A 16 17.206 -1.568 -4.325 1.00 0.00 H new ATOM 0 HE1 TYR A 16 15.623 -5.942 -5.894 1.00 0.00 H new ATOM 0 HE2 TYR A 16 18.538 -2.845 -5.939 1.00 0.00 H new ATOM 0 HH TYR A 16 18.420 -4.578 -7.507 1.00 0.00 H new ATOM 136 N GLU A 17 14.705 -5.432 -1.597 1.00 0.00 N ATOM 137 CA GLU A 17 15.626 -6.480 -1.075 1.00 0.00 C ATOM 138 C GLU A 17 16.050 -7.397 -2.224 1.00 0.00 C ATOM 139 O GLU A 17 15.400 -8.381 -2.519 1.00 0.00 O ATOM 140 CB GLU A 17 14.904 -7.303 -0.006 1.00 0.00 C ATOM 141 CG GLU A 17 13.690 -7.994 -0.629 1.00 0.00 C ATOM 142 CD GLU A 17 12.468 -7.788 0.268 1.00 0.00 C ATOM 143 OE1 GLU A 17 12.461 -8.332 1.360 1.00 0.00 O ATOM 144 OE2 GLU A 17 11.560 -7.090 -0.153 1.00 0.00 O ATOM 0 H GLU A 17 13.777 -5.764 -1.861 1.00 0.00 H new ATOM 0 HA GLU A 17 16.507 -6.010 -0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 17 15.582 -8.045 0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.588 -6.657 0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.498 -7.588 -1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.888 -9.059 -0.752 1.00 0.00 H new ATOM 151 N SER A 18 17.136 -7.084 -2.874 1.00 0.00 N ATOM 152 CA SER A 18 17.601 -7.937 -4.005 1.00 0.00 C ATOM 153 C SER A 18 18.417 -9.113 -3.462 1.00 0.00 C ATOM 154 O SER A 18 18.506 -9.320 -2.268 1.00 0.00 O ATOM 155 CB SER A 18 18.474 -7.107 -4.946 1.00 0.00 C ATOM 156 OG SER A 18 18.656 -5.807 -4.400 1.00 0.00 O ATOM 0 H SER A 18 17.722 -6.274 -2.671 1.00 0.00 H new ATOM 0 HA SER A 18 16.736 -8.316 -4.549 1.00 0.00 H new ATOM 0 HB2 SER A 18 19.440 -7.593 -5.086 1.00 0.00 H new ATOM 0 HB3 SER A 18 18.006 -7.038 -5.928 1.00 0.00 H new ATOM 0 HG SER A 18 18.483 -5.135 -5.092 1.00 0.00 H new ATOM 162 N ARG A 19 19.014 -9.882 -4.330 1.00 0.00 N ATOM 163 CA ARG A 19 19.824 -11.044 -3.866 1.00 0.00 C ATOM 164 C ARG A 19 21.241 -10.934 -4.436 1.00 0.00 C ATOM 165 O ARG A 19 22.204 -11.339 -3.815 1.00 0.00 O ATOM 166 CB ARG A 19 19.179 -12.347 -4.351 1.00 0.00 C ATOM 167 CG ARG A 19 17.664 -12.162 -4.470 1.00 0.00 C ATOM 168 CD ARG A 19 17.052 -12.045 -3.072 1.00 0.00 C ATOM 169 NE ARG A 19 15.567 -12.102 -3.171 1.00 0.00 N ATOM 170 CZ ARG A 19 14.857 -12.452 -2.133 1.00 0.00 C ATOM 171 NH1 ARG A 19 15.100 -13.585 -1.531 1.00 0.00 N ATOM 172 NH2 ARG A 19 13.907 -11.672 -1.697 1.00 0.00 N ATOM 0 H ARG A 19 18.976 -9.756 -5.341 1.00 0.00 H new ATOM 0 HA ARG A 19 19.866 -11.045 -2.777 1.00 0.00 H new ATOM 0 HB2 ARG A 19 19.597 -12.633 -5.316 1.00 0.00 H new ATOM 0 HB3 ARG A 19 19.402 -13.155 -3.655 1.00 0.00 H new ATOM 0 HG2 ARG A 19 17.441 -11.268 -5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 19 17.225 -13.006 -5.001 1.00 0.00 H new ATOM 0 HD2 ARG A 19 17.416 -12.852 -2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.360 -11.109 -2.606 1.00 0.00 H new ATOM 0 HE ARG A 19 15.105 -11.868 -4.050 1.00 0.00 H new ATOM 0 HH11 ARG A 19 15.843 -14.195 -1.872 1.00 0.00 H new ATOM 0 HH12 ARG A 19 14.546 -13.860 -0.720 1.00 0.00 H new ATOM 0 HH21 ARG A 19 13.718 -10.787 -2.167 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.353 -11.947 -0.886 1.00 0.00 H new ATOM 186 N THR A 20 21.373 -10.388 -5.612 1.00 0.00 N ATOM 187 CA THR A 20 22.723 -10.248 -6.230 1.00 0.00 C ATOM 188 C THR A 20 23.564 -9.264 -5.415 1.00 0.00 C ATOM 189 O THR A 20 23.088 -8.647 -4.483 1.00 0.00 O ATOM 190 CB THR A 20 22.576 -9.723 -7.660 1.00 0.00 C ATOM 191 OG1 THR A 20 23.864 -9.521 -8.222 1.00 0.00 O ATOM 192 CG2 THR A 20 21.809 -8.401 -7.644 1.00 0.00 C ATOM 0 H THR A 20 20.601 -10.031 -6.175 1.00 0.00 H new ATOM 0 HA THR A 20 23.215 -11.221 -6.244 1.00 0.00 H new ATOM 0 HB THR A 20 22.028 -10.449 -8.260 1.00 0.00 H new ATOM 0 HG1 THR A 20 23.778 -9.341 -9.182 1.00 0.00 H new ATOM 0 HG21 THR A 20 21.705 -8.028 -8.663 1.00 0.00 H new ATOM 0 HG22 THR A 20 20.820 -8.559 -7.213 1.00 0.00 H new ATOM 0 HG23 THR A 20 22.354 -7.672 -7.045 1.00 0.00 H new ATOM 200 N GLU A 21 24.816 -9.113 -5.760 1.00 0.00 N ATOM 201 CA GLU A 21 25.687 -8.168 -5.007 1.00 0.00 C ATOM 202 C GLU A 21 25.413 -6.743 -5.483 1.00 0.00 C ATOM 203 O GLU A 21 25.239 -5.834 -4.696 1.00 0.00 O ATOM 204 CB GLU A 21 27.156 -8.518 -5.258 1.00 0.00 C ATOM 205 CG GLU A 21 27.637 -9.497 -4.184 1.00 0.00 C ATOM 206 CD GLU A 21 29.099 -9.866 -4.445 1.00 0.00 C ATOM 207 OE1 GLU A 21 29.944 -8.999 -4.293 1.00 0.00 O ATOM 208 OE2 GLU A 21 29.348 -11.008 -4.793 1.00 0.00 O ATOM 0 H GLU A 21 25.271 -9.603 -6.530 1.00 0.00 H new ATOM 0 HA GLU A 21 25.475 -8.244 -3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 21 27.272 -8.961 -6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 21 27.765 -7.614 -5.240 1.00 0.00 H new ATOM 0 HG2 GLU A 21 27.535 -9.048 -3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 21 27.018 -10.394 -4.191 1.00 0.00 H new ATOM 215 N THR A 22 25.369 -6.544 -6.769 1.00 0.00 N ATOM 216 CA THR A 22 25.105 -5.180 -7.306 1.00 0.00 C ATOM 217 C THR A 22 23.766 -4.677 -6.764 1.00 0.00 C ATOM 218 O THR A 22 23.064 -5.382 -6.067 1.00 0.00 O ATOM 219 CB THR A 22 25.050 -5.237 -8.835 1.00 0.00 C ATOM 220 OG1 THR A 22 24.793 -3.938 -9.347 1.00 0.00 O ATOM 221 CG2 THR A 22 23.934 -6.189 -9.270 1.00 0.00 C ATOM 0 H THR A 22 25.505 -7.268 -7.474 1.00 0.00 H new ATOM 0 HA THR A 22 25.902 -4.503 -6.998 1.00 0.00 H new ATOM 0 HB THR A 22 26.004 -5.597 -9.221 1.00 0.00 H new ATOM 0 HG1 THR A 22 24.759 -3.973 -10.326 1.00 0.00 H new ATOM 0 HG21 THR A 22 23.894 -6.230 -10.359 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.132 -7.186 -8.876 1.00 0.00 H new ATOM 0 HG23 THR A 22 22.979 -5.830 -8.885 1.00 0.00 H new ATOM 229 N ASP A 23 23.405 -3.463 -7.077 1.00 0.00 N ATOM 230 CA ASP A 23 22.111 -2.921 -6.577 1.00 0.00 C ATOM 231 C ASP A 23 22.051 -3.076 -5.056 1.00 0.00 C ATOM 232 O ASP A 23 21.793 -4.145 -4.540 1.00 0.00 O ATOM 233 CB ASP A 23 20.954 -3.695 -7.214 1.00 0.00 C ATOM 234 CG ASP A 23 21.234 -3.896 -8.705 1.00 0.00 C ATOM 235 OD1 ASP A 23 21.037 -2.955 -9.455 1.00 0.00 O ATOM 236 OD2 ASP A 23 21.640 -4.987 -9.071 1.00 0.00 O ATOM 0 H ASP A 23 23.949 -2.824 -7.656 1.00 0.00 H new ATOM 0 HA ASP A 23 22.031 -1.866 -6.840 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.834 -4.660 -6.722 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.020 -3.150 -7.079 1.00 0.00 H new ATOM 241 N LEU A 24 22.287 -2.016 -4.334 1.00 0.00 N ATOM 242 CA LEU A 24 22.243 -2.102 -2.847 1.00 0.00 C ATOM 243 C LEU A 24 20.788 -2.123 -2.381 1.00 0.00 C ATOM 244 O LEU A 24 19.916 -1.555 -3.007 1.00 0.00 O ATOM 245 CB LEU A 24 22.947 -0.887 -2.241 1.00 0.00 C ATOM 246 CG LEU A 24 24.288 -0.668 -2.942 1.00 0.00 C ATOM 247 CD1 LEU A 24 24.846 0.701 -2.552 1.00 0.00 C ATOM 248 CD2 LEU A 24 25.273 -1.759 -2.516 1.00 0.00 C ATOM 0 H LEU A 24 22.508 -1.094 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 24 22.746 -3.014 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 24 22.321 -0.001 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 24 23.104 -1.040 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 24 24.145 -0.711 -4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 24 25.802 0.860 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 24 24.145 1.479 -2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 24 24.989 0.742 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 24 26.229 -1.602 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 24 25.417 -1.717 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 24 24.875 -2.736 -2.791 1.00 0.00 H new ATOM 260 N SER A 25 20.519 -2.776 -1.285 1.00 0.00 N ATOM 261 CA SER A 25 19.121 -2.833 -0.777 1.00 0.00 C ATOM 262 C SER A 25 18.903 -1.702 0.227 1.00 0.00 C ATOM 263 O SER A 25 19.616 -1.582 1.205 1.00 0.00 O ATOM 264 CB SER A 25 18.882 -4.178 -0.090 1.00 0.00 C ATOM 265 OG SER A 25 18.353 -5.103 -1.029 1.00 0.00 O ATOM 0 H SER A 25 21.207 -3.273 -0.719 1.00 0.00 H new ATOM 0 HA SER A 25 18.425 -2.723 -1.609 1.00 0.00 H new ATOM 0 HB2 SER A 25 19.816 -4.558 0.324 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.191 -4.055 0.744 1.00 0.00 H new ATOM 0 HG SER A 25 17.611 -4.687 -1.516 1.00 0.00 H new ATOM 271 N PHE A 26 17.924 -0.870 -0.002 1.00 0.00 N ATOM 272 CA PHE A 26 17.666 0.252 0.944 1.00 0.00 C ATOM 273 C PHE A 26 16.445 -0.077 1.802 1.00 0.00 C ATOM 274 O PHE A 26 15.864 -1.138 1.690 1.00 0.00 O ATOM 275 CB PHE A 26 17.409 1.540 0.157 1.00 0.00 C ATOM 276 CG PHE A 26 16.418 1.261 -0.974 1.00 0.00 C ATOM 277 CD1 PHE A 26 16.870 0.868 -2.221 1.00 0.00 C ATOM 278 CD2 PHE A 26 15.059 1.402 -0.765 1.00 0.00 C ATOM 279 CE1 PHE A 26 15.976 0.621 -3.242 1.00 0.00 C ATOM 280 CE2 PHE A 26 14.165 1.156 -1.787 1.00 0.00 C ATOM 281 CZ PHE A 26 14.623 0.766 -3.026 1.00 0.00 C ATOM 0 H PHE A 26 17.293 -0.919 -0.802 1.00 0.00 H new ATOM 0 HA PHE A 26 18.535 0.391 1.587 1.00 0.00 H new ATOM 0 HB2 PHE A 26 17.013 2.310 0.819 1.00 0.00 H new ATOM 0 HB3 PHE A 26 18.345 1.921 -0.252 1.00 0.00 H new ATOM 0 HD1 PHE A 26 17.930 0.754 -2.396 1.00 0.00 H new ATOM 0 HD2 PHE A 26 14.694 1.707 0.205 1.00 0.00 H new ATOM 0 HE1 PHE A 26 16.337 0.313 -4.212 1.00 0.00 H new ATOM 0 HE2 PHE A 26 13.105 1.269 -1.615 1.00 0.00 H new ATOM 0 HZ PHE A 26 13.923 0.574 -3.826 1.00 0.00 H new ATOM 291 N LYS A 27 16.047 0.824 2.658 1.00 0.00 N ATOM 292 CA LYS A 27 14.864 0.557 3.521 1.00 0.00 C ATOM 293 C LYS A 27 13.760 1.571 3.209 1.00 0.00 C ATOM 294 O LYS A 27 14.010 2.631 2.669 1.00 0.00 O ATOM 295 CB LYS A 27 15.268 0.682 4.990 1.00 0.00 C ATOM 296 CG LYS A 27 14.403 -0.252 5.838 1.00 0.00 C ATOM 297 CD LYS A 27 14.202 0.361 7.226 1.00 0.00 C ATOM 298 CE LYS A 27 15.056 -0.396 8.244 1.00 0.00 C ATOM 299 NZ LYS A 27 14.390 -0.360 9.576 1.00 0.00 N ATOM 0 H LYS A 27 16.490 1.732 2.796 1.00 0.00 H new ATOM 0 HA LYS A 27 14.495 -0.450 3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.321 0.429 5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.146 1.712 5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.439 -0.410 5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.880 -1.228 5.925 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.480 1.415 7.214 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.150 0.312 7.509 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.194 -1.428 7.923 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.047 0.053 8.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.971 -0.875 10.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.280 0.628 9.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.454 -0.808 9.508 1.00 0.00 H new ATOM 313 N LYS A 28 12.539 1.253 3.545 1.00 0.00 N ATOM 314 CA LYS A 28 11.419 2.197 3.269 1.00 0.00 C ATOM 315 C LYS A 28 11.627 3.482 4.074 1.00 0.00 C ATOM 316 O LYS A 28 11.673 3.466 5.288 1.00 0.00 O ATOM 317 CB LYS A 28 10.094 1.542 3.672 1.00 0.00 C ATOM 318 CG LYS A 28 8.990 2.600 3.725 1.00 0.00 C ATOM 319 CD LYS A 28 8.650 2.911 5.184 1.00 0.00 C ATOM 320 CE LYS A 28 7.311 2.265 5.546 1.00 0.00 C ATOM 321 NZ LYS A 28 7.486 0.790 5.664 1.00 0.00 N ATOM 0 H LYS A 28 12.269 0.380 3.999 1.00 0.00 H new ATOM 0 HA LYS A 28 11.395 2.438 2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.830 0.763 2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.196 1.060 4.645 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.316 3.507 3.215 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.103 2.242 3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.436 2.535 5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.598 3.989 5.334 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.940 2.674 6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.567 2.494 4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.576 0.351 5.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.821 0.407 4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.183 0.581 6.407 1.00 0.00 H new ATOM 335 N GLY A 29 11.752 4.596 3.406 1.00 0.00 N ATOM 336 CA GLY A 29 11.957 5.881 4.129 1.00 0.00 C ATOM 337 C GLY A 29 13.450 6.221 4.158 1.00 0.00 C ATOM 338 O GLY A 29 13.872 7.155 4.809 1.00 0.00 O ATOM 0 H GLY A 29 11.721 4.671 2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.401 6.679 3.637 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.571 5.804 5.146 1.00 0.00 H new ATOM 342 N GLU A 30 14.254 5.468 3.456 1.00 0.00 N ATOM 343 CA GLU A 30 15.718 5.747 3.443 1.00 0.00 C ATOM 344 C GLU A 30 15.990 7.014 2.628 1.00 0.00 C ATOM 345 O GLU A 30 15.207 7.400 1.784 1.00 0.00 O ATOM 346 CB GLU A 30 16.455 4.568 2.807 1.00 0.00 C ATOM 347 CG GLU A 30 17.412 3.951 3.828 1.00 0.00 C ATOM 348 CD GLU A 30 18.578 3.283 3.095 1.00 0.00 C ATOM 349 OE1 GLU A 30 18.918 3.747 2.020 1.00 0.00 O ATOM 350 OE2 GLU A 30 19.109 2.320 3.623 1.00 0.00 O ATOM 0 H GLU A 30 13.959 4.672 2.891 1.00 0.00 H new ATOM 0 HA GLU A 30 16.069 5.889 4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.739 3.820 2.466 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.009 4.903 1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.786 4.721 4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 30 16.885 3.219 4.440 1.00 0.00 H new ATOM 357 N ARG A 31 17.095 7.665 2.876 1.00 0.00 N ATOM 358 CA ARG A 31 17.415 8.905 2.114 1.00 0.00 C ATOM 359 C ARG A 31 18.225 8.546 0.867 1.00 0.00 C ATOM 360 O ARG A 31 19.424 8.733 0.820 1.00 0.00 O ATOM 361 CB ARG A 31 18.233 9.849 2.997 1.00 0.00 C ATOM 362 CG ARG A 31 17.529 10.027 4.342 1.00 0.00 C ATOM 363 CD ARG A 31 17.130 11.493 4.520 1.00 0.00 C ATOM 364 NE ARG A 31 16.161 11.878 3.455 1.00 0.00 N ATOM 365 CZ ARG A 31 16.281 13.027 2.848 1.00 0.00 C ATOM 366 NH1 ARG A 31 16.873 14.024 3.448 1.00 0.00 N ATOM 367 NH2 ARG A 31 15.807 13.180 1.641 1.00 0.00 N ATOM 0 H ARG A 31 17.788 7.392 3.572 1.00 0.00 H new ATOM 0 HA ARG A 31 16.488 9.395 1.816 1.00 0.00 H new ATOM 0 HB2 ARG A 31 19.234 9.446 3.149 1.00 0.00 H new ATOM 0 HB3 ARG A 31 18.350 10.815 2.505 1.00 0.00 H new ATOM 0 HG2 ARG A 31 16.645 9.390 4.389 1.00 0.00 H new ATOM 0 HG3 ARG A 31 18.188 9.718 5.153 1.00 0.00 H new ATOM 0 HD2 ARG A 31 16.684 11.643 5.503 1.00 0.00 H new ATOM 0 HD3 ARG A 31 18.013 12.130 4.470 1.00 0.00 H new ATOM 0 HE ARG A 31 15.404 11.243 3.201 1.00 0.00 H new ATOM 0 HH11 ARG A 31 17.242 13.905 4.391 1.00 0.00 H new ATOM 0 HH12 ARG A 31 16.967 14.922 2.973 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.343 12.402 1.173 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.901 14.078 1.166 1.00 0.00 H new ATOM 381 N LEU A 32 17.581 8.032 -0.146 1.00 0.00 N ATOM 382 CA LEU A 32 18.320 7.663 -1.386 1.00 0.00 C ATOM 383 C LEU A 32 18.399 8.880 -2.312 1.00 0.00 C ATOM 384 O LEU A 32 17.410 9.538 -2.573 1.00 0.00 O ATOM 385 CB LEU A 32 17.589 6.523 -2.097 1.00 0.00 C ATOM 386 CG LEU A 32 17.717 5.244 -1.267 1.00 0.00 C ATOM 387 CD1 LEU A 32 16.331 4.809 -0.784 1.00 0.00 C ATOM 388 CD2 LEU A 32 18.327 4.136 -2.128 1.00 0.00 C ATOM 0 H LEU A 32 16.577 7.852 -0.168 1.00 0.00 H new ATOM 0 HA LEU A 32 19.328 7.338 -1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.538 6.778 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 32 18.010 6.369 -3.090 1.00 0.00 H new ATOM 0 HG LEU A 32 18.360 5.432 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.421 3.898 -0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.895 5.598 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.688 4.621 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.418 3.225 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.684 3.948 -2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.314 4.445 -2.473 1.00 0.00 H new ATOM 400 N GLN A 33 19.566 9.185 -2.810 1.00 0.00 N ATOM 401 CA GLN A 33 19.704 10.359 -3.717 1.00 0.00 C ATOM 402 C GLN A 33 19.778 9.886 -5.172 1.00 0.00 C ATOM 403 O GLN A 33 20.817 9.473 -5.647 1.00 0.00 O ATOM 404 CB GLN A 33 20.984 11.122 -3.367 1.00 0.00 C ATOM 405 CG GLN A 33 20.627 12.536 -2.903 1.00 0.00 C ATOM 406 CD GLN A 33 21.877 13.417 -2.947 1.00 0.00 C ATOM 407 OE1 GLN A 33 22.921 12.988 -3.399 1.00 0.00 O ATOM 408 NE2 GLN A 33 21.817 14.639 -2.493 1.00 0.00 N ATOM 0 H GLN A 33 20.429 8.672 -2.628 1.00 0.00 H new ATOM 0 HA GLN A 33 18.840 11.012 -3.594 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.529 10.597 -2.582 1.00 0.00 H new ATOM 0 HB3 GLN A 33 21.641 11.168 -4.235 1.00 0.00 H new ATOM 0 HG2 GLN A 33 19.851 12.955 -3.543 1.00 0.00 H new ATOM 0 HG3 GLN A 33 20.224 12.507 -1.890 1.00 0.00 H new ATOM 0 HE21 GLN A 33 20.942 15.000 -2.114 1.00 0.00 H new ATOM 0 HE22 GLN A 33 22.646 15.233 -2.518 1.00 0.00 H new ATOM 417 N ILE A 34 18.686 9.944 -5.886 1.00 0.00 N ATOM 418 CA ILE A 34 18.705 9.495 -7.307 1.00 0.00 C ATOM 419 C ILE A 34 19.949 10.065 -7.995 1.00 0.00 C ATOM 420 O ILE A 34 20.541 11.018 -7.527 1.00 0.00 O ATOM 421 CB ILE A 34 17.446 9.998 -8.018 1.00 0.00 C ATOM 422 CG1 ILE A 34 16.212 9.656 -7.179 1.00 0.00 C ATOM 423 CG2 ILE A 34 17.333 9.324 -9.387 1.00 0.00 C ATOM 424 CD1 ILE A 34 16.289 8.197 -6.725 1.00 0.00 C ATOM 0 H ILE A 34 17.785 10.282 -5.548 1.00 0.00 H new ATOM 0 HA ILE A 34 18.730 8.406 -7.350 1.00 0.00 H new ATOM 0 HB ILE A 34 17.509 11.079 -8.146 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.155 10.315 -6.312 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.306 9.818 -7.763 1.00 0.00 H new ATOM 0 HG21 ILE A 34 16.437 9.681 -9.895 1.00 0.00 H new ATOM 0 HG22 ILE A 34 18.211 9.567 -9.986 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.270 8.244 -9.257 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.410 7.955 -6.128 1.00 0.00 H new ATOM 0 HD12 ILE A 34 16.325 7.546 -7.598 1.00 0.00 H new ATOM 0 HD13 ILE A 34 17.187 8.050 -6.125 1.00 0.00 H new ATOM 436 N VAL A 35 20.354 9.497 -9.098 1.00 0.00 N ATOM 437 CA VAL A 35 21.562 10.023 -9.796 1.00 0.00 C ATOM 438 C VAL A 35 21.305 10.133 -11.299 1.00 0.00 C ATOM 439 O VAL A 35 21.421 11.194 -11.881 1.00 0.00 O ATOM 440 CB VAL A 35 22.743 9.082 -9.550 1.00 0.00 C ATOM 441 CG1 VAL A 35 23.978 9.610 -10.282 1.00 0.00 C ATOM 442 CG2 VAL A 35 23.034 9.014 -8.049 1.00 0.00 C ATOM 0 H VAL A 35 19.905 8.697 -9.544 1.00 0.00 H new ATOM 0 HA VAL A 35 21.790 11.014 -9.404 1.00 0.00 H new ATOM 0 HB VAL A 35 22.498 8.087 -9.921 1.00 0.00 H new ATOM 0 HG11 VAL A 35 24.819 8.939 -10.107 1.00 0.00 H new ATOM 0 HG12 VAL A 35 23.773 9.662 -11.351 1.00 0.00 H new ATOM 0 HG13 VAL A 35 24.223 10.605 -9.911 1.00 0.00 H new ATOM 0 HG21 VAL A 35 23.875 8.344 -7.871 1.00 0.00 H new ATOM 0 HG22 VAL A 35 23.279 10.010 -7.680 1.00 0.00 H new ATOM 0 HG23 VAL A 35 22.155 8.639 -7.525 1.00 0.00 H new ATOM 452 N ASN A 36 20.955 9.052 -11.935 1.00 0.00 N ATOM 453 CA ASN A 36 20.696 9.114 -13.405 1.00 0.00 C ATOM 454 C ASN A 36 19.411 8.356 -13.755 1.00 0.00 C ATOM 455 O ASN A 36 18.701 7.884 -12.893 1.00 0.00 O ATOM 456 CB ASN A 36 21.872 8.483 -14.152 1.00 0.00 C ATOM 457 CG ASN A 36 22.670 9.576 -14.864 1.00 0.00 C ATOM 458 OD1 ASN A 36 22.496 10.747 -14.590 1.00 0.00 O ATOM 459 ND2 ASN A 36 23.544 9.243 -15.775 1.00 0.00 N ATOM 0 H ASN A 36 20.837 8.133 -11.508 1.00 0.00 H new ATOM 0 HA ASN A 36 20.582 10.157 -13.699 1.00 0.00 H new ATOM 0 HB2 ASN A 36 22.514 7.946 -13.454 1.00 0.00 H new ATOM 0 HB3 ASN A 36 21.508 7.754 -14.876 1.00 0.00 H new ATOM 0 HD21 ASN A 36 24.080 9.965 -16.256 1.00 0.00 H new ATOM 0 HD22 ASN A 36 23.691 8.260 -16.006 1.00 0.00 H new ATOM 466 N ASN A 37 19.107 8.248 -15.023 1.00 0.00 N ATOM 467 CA ASN A 37 17.872 7.526 -15.447 1.00 0.00 C ATOM 468 C ASN A 37 16.633 8.237 -14.898 1.00 0.00 C ATOM 469 O ASN A 37 16.244 8.042 -13.764 1.00 0.00 O ATOM 470 CB ASN A 37 17.914 6.090 -14.924 1.00 0.00 C ATOM 471 CG ASN A 37 19.093 5.348 -15.558 1.00 0.00 C ATOM 472 OD1 ASN A 37 20.061 4.915 -14.798 1.00 0.00 O flip ATOM 473 ND2 ASN A 37 19.131 5.160 -16.758 1.00 0.00 N flip ATOM 0 H ASN A 37 19.665 8.631 -15.786 1.00 0.00 H new ATOM 0 HA ASN A 37 17.822 7.516 -16.536 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.012 6.090 -13.838 1.00 0.00 H new ATOM 0 HB3 ASN A 37 16.980 5.579 -15.159 1.00 0.00 H new ATOM 0 HD21 ASN A 37 18.374 5.499 -17.352 1.00 0.00 H new ATOM 0 HD22 ASN A 37 19.920 4.663 -17.172 1.00 0.00 H new ATOM 480 N THR A 38 16.014 9.063 -15.698 1.00 0.00 N ATOM 481 CA THR A 38 14.799 9.790 -15.233 1.00 0.00 C ATOM 482 C THR A 38 13.554 8.963 -15.560 1.00 0.00 C ATOM 483 O THR A 38 12.576 8.981 -14.840 1.00 0.00 O ATOM 484 CB THR A 38 14.713 11.144 -15.942 1.00 0.00 C ATOM 485 OG1 THR A 38 13.576 11.853 -15.466 1.00 0.00 O ATOM 486 CG2 THR A 38 14.586 10.928 -17.451 1.00 0.00 C ATOM 0 H THR A 38 16.299 9.266 -16.656 1.00 0.00 H new ATOM 0 HA THR A 38 14.859 9.947 -14.156 1.00 0.00 H new ATOM 0 HB THR A 38 15.615 11.720 -15.736 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.519 12.721 -15.917 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.525 11.894 -17.953 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.458 10.384 -17.815 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.685 10.352 -17.662 1.00 0.00 H new ATOM 494 N GLU A 39 13.584 8.238 -16.644 1.00 0.00 N ATOM 495 CA GLU A 39 12.409 7.408 -17.025 1.00 0.00 C ATOM 496 C GLU A 39 12.302 6.209 -16.080 1.00 0.00 C ATOM 497 O GLU A 39 13.266 5.514 -15.836 1.00 0.00 O ATOM 498 CB GLU A 39 12.587 6.913 -18.461 1.00 0.00 C ATOM 499 CG GLU A 39 12.153 8.008 -19.437 1.00 0.00 C ATOM 500 CD GLU A 39 10.625 8.101 -19.453 1.00 0.00 C ATOM 501 OE1 GLU A 39 9.996 7.125 -19.825 1.00 0.00 O ATOM 502 OE2 GLU A 39 10.111 9.147 -19.092 1.00 0.00 O ATOM 0 H GLU A 39 14.376 8.185 -17.285 1.00 0.00 H new ATOM 0 HA GLU A 39 11.500 8.005 -16.954 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.629 6.646 -18.638 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.995 6.012 -18.622 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.583 8.965 -19.141 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.525 7.787 -20.437 1.00 0.00 H new ATOM 509 N GLY A 40 11.133 5.963 -15.553 1.00 0.00 N ATOM 510 CA GLY A 40 10.956 4.810 -14.622 1.00 0.00 C ATOM 511 C GLY A 40 11.716 3.590 -15.149 1.00 0.00 C ATOM 512 O GLY A 40 11.330 2.979 -16.126 1.00 0.00 O ATOM 0 H GLY A 40 10.291 6.512 -15.727 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.320 5.074 -13.629 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.897 4.573 -14.521 1.00 0.00 H new ATOM 516 N ASP A 41 12.795 3.232 -14.506 1.00 0.00 N ATOM 517 CA ASP A 41 13.585 2.054 -14.962 1.00 0.00 C ATOM 518 C ASP A 41 14.475 1.569 -13.813 1.00 0.00 C ATOM 519 O ASP A 41 14.039 0.853 -12.933 1.00 0.00 O ATOM 520 CB ASP A 41 14.462 2.465 -16.146 1.00 0.00 C ATOM 521 CG ASP A 41 13.578 2.777 -17.357 1.00 0.00 C ATOM 522 OD1 ASP A 41 13.227 1.847 -18.063 1.00 0.00 O ATOM 523 OD2 ASP A 41 13.269 3.940 -17.555 1.00 0.00 O ATOM 0 H ASP A 41 13.164 3.707 -13.682 1.00 0.00 H new ATOM 0 HA ASP A 41 12.912 1.253 -15.266 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.058 3.339 -15.884 1.00 0.00 H new ATOM 0 HB3 ASP A 41 15.160 1.664 -16.390 1.00 0.00 H new ATOM 528 N TRP A 42 15.723 1.954 -13.817 1.00 0.00 N ATOM 529 CA TRP A 42 16.653 1.530 -12.739 1.00 0.00 C ATOM 530 C TRP A 42 17.679 2.640 -12.556 1.00 0.00 C ATOM 531 O TRP A 42 18.765 2.604 -13.098 1.00 0.00 O ATOM 532 CB TRP A 42 17.338 0.223 -13.134 1.00 0.00 C ATOM 533 CG TRP A 42 16.273 -0.867 -13.243 1.00 0.00 C ATOM 534 CD1 TRP A 42 15.445 -1.029 -14.287 1.00 0.00 C ATOM 535 CD2 TRP A 42 15.994 -1.761 -12.297 1.00 0.00 C ATOM 536 NE1 TRP A 42 14.668 -2.048 -13.918 1.00 0.00 N ATOM 537 CE2 TRP A 42 14.941 -2.564 -12.691 1.00 0.00 C ATOM 538 CE3 TRP A 42 16.587 -1.955 -11.066 1.00 0.00 C ATOM 539 CZ2 TRP A 42 14.482 -3.558 -11.850 1.00 0.00 C ATOM 540 CZ3 TRP A 42 16.127 -2.950 -10.228 1.00 0.00 C ATOM 541 CH2 TRP A 42 15.075 -3.752 -10.620 1.00 0.00 C ATOM 0 H TRP A 42 16.139 2.551 -14.531 1.00 0.00 H new ATOM 0 HA TRP A 42 16.117 1.358 -11.806 1.00 0.00 H new ATOM 0 HB2 TRP A 42 17.859 0.340 -14.084 1.00 0.00 H new ATOM 0 HB3 TRP A 42 18.087 -0.052 -12.391 1.00 0.00 H new ATOM 0 HD1 TRP A 42 15.415 -0.467 -15.209 1.00 0.00 H new ATOM 0 HE1 TRP A 42 13.924 -2.413 -14.513 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.411 -1.328 -10.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 13.657 -4.185 -12.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 16.591 -3.101 -9.264 1.00 0.00 H new ATOM 0 HH2 TRP A 42 14.716 -4.531 -9.964 1.00 0.00 H new ATOM 552 N TRP A 43 17.327 3.628 -11.788 1.00 0.00 N ATOM 553 CA TRP A 43 18.249 4.765 -11.544 1.00 0.00 C ATOM 554 C TRP A 43 19.303 4.384 -10.506 1.00 0.00 C ATOM 555 O TRP A 43 19.089 3.532 -9.671 1.00 0.00 O ATOM 556 CB TRP A 43 17.433 5.945 -11.020 1.00 0.00 C ATOM 557 CG TRP A 43 16.044 5.942 -11.675 1.00 0.00 C ATOM 558 CD1 TRP A 43 15.770 5.480 -12.914 1.00 0.00 C ATOM 559 CD2 TRP A 43 14.937 6.432 -11.118 1.00 0.00 C ATOM 560 NE1 TRP A 43 14.470 5.730 -13.057 1.00 0.00 N ATOM 561 CE2 TRP A 43 13.871 6.316 -11.989 1.00 0.00 C ATOM 562 CE3 TRP A 43 14.743 6.982 -9.866 1.00 0.00 C ATOM 563 CZ2 TRP A 43 12.618 6.755 -11.612 1.00 0.00 C ATOM 564 CZ3 TRP A 43 13.490 7.420 -9.490 1.00 0.00 C ATOM 565 CH2 TRP A 43 12.428 7.306 -10.362 1.00 0.00 C ATOM 0 H TRP A 43 16.427 3.696 -11.313 1.00 0.00 H new ATOM 0 HA TRP A 43 18.753 5.028 -12.474 1.00 0.00 H new ATOM 0 HB2 TRP A 43 17.335 5.880 -9.936 1.00 0.00 H new ATOM 0 HB3 TRP A 43 17.947 6.881 -11.238 1.00 0.00 H new ATOM 0 HD1 TRP A 43 16.444 5.018 -13.620 1.00 0.00 H new ATOM 0 HE1 TRP A 43 13.960 5.498 -13.909 1.00 0.00 H new ATOM 0 HE3 TRP A 43 15.573 7.069 -9.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.787 6.667 -12.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 13.341 7.853 -8.512 1.00 0.00 H new ATOM 0 HH2 TRP A 43 11.447 7.648 -10.066 1.00 0.00 H new ATOM 576 N LEU A 44 20.444 5.013 -10.559 1.00 0.00 N ATOM 577 CA LEU A 44 21.516 4.695 -9.579 1.00 0.00 C ATOM 578 C LEU A 44 21.393 5.658 -8.400 1.00 0.00 C ATOM 579 O LEU A 44 21.789 6.801 -8.477 1.00 0.00 O ATOM 580 CB LEU A 44 22.885 4.865 -10.240 1.00 0.00 C ATOM 581 CG LEU A 44 23.984 4.832 -9.176 1.00 0.00 C ATOM 582 CD1 LEU A 44 24.783 3.537 -9.293 1.00 0.00 C ATOM 583 CD2 LEU A 44 24.915 6.018 -9.399 1.00 0.00 C ATOM 0 H LEU A 44 20.679 5.735 -11.240 1.00 0.00 H new ATOM 0 HA LEU A 44 21.415 3.666 -9.235 1.00 0.00 H new ATOM 0 HB2 LEU A 44 23.048 4.071 -10.969 1.00 0.00 H new ATOM 0 HB3 LEU A 44 22.921 5.809 -10.784 1.00 0.00 H new ATOM 0 HG LEU A 44 23.535 4.885 -8.184 1.00 0.00 H new ATOM 0 HD11 LEU A 44 25.563 3.521 -8.532 1.00 0.00 H new ATOM 0 HD12 LEU A 44 24.118 2.685 -9.149 1.00 0.00 H new ATOM 0 HD13 LEU A 44 25.239 3.479 -10.281 1.00 0.00 H new ATOM 0 HD21 LEU A 44 25.704 6.007 -8.647 1.00 0.00 H new ATOM 0 HD22 LEU A 44 25.359 5.950 -10.392 1.00 0.00 H new ATOM 0 HD23 LEU A 44 24.348 6.946 -9.317 1.00 0.00 H new ATOM 595 N ALA A 45 20.850 5.210 -7.306 1.00 0.00 N ATOM 596 CA ALA A 45 20.711 6.116 -6.136 1.00 0.00 C ATOM 597 C ALA A 45 21.936 5.973 -5.230 1.00 0.00 C ATOM 598 O ALA A 45 22.369 4.881 -4.920 1.00 0.00 O ATOM 599 CB ALA A 45 19.449 5.751 -5.353 1.00 0.00 C ATOM 0 H ALA A 45 20.498 4.262 -7.171 1.00 0.00 H new ATOM 0 HA ALA A 45 20.636 7.147 -6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 45 19.348 6.416 -4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 45 18.577 5.856 -5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 45 19.521 4.720 -5.006 1.00 0.00 H new ATOM 605 N HIS A 46 22.497 7.072 -4.807 1.00 0.00 N ATOM 606 CA HIS A 46 23.692 7.009 -3.922 1.00 0.00 C ATOM 607 C HIS A 46 23.265 7.321 -2.482 1.00 0.00 C ATOM 608 O HIS A 46 22.614 8.313 -2.218 1.00 0.00 O ATOM 609 CB HIS A 46 24.728 8.031 -4.420 1.00 0.00 C ATOM 610 CG HIS A 46 25.629 8.504 -3.274 1.00 0.00 C ATOM 611 ND1 HIS A 46 25.310 9.205 -2.125 1.00 0.00 N flip ATOM 612 CD2 HIS A 46 26.883 8.333 -3.214 1.00 0.00 C flip ATOM 613 CE1 HIS A 46 26.424 9.430 -1.410 1.00 0.00 C flip ATOM 614 NE2 HIS A 46 27.361 8.859 -2.150 1.00 0.00 N flip ATOM 0 H HIS A 46 22.178 8.013 -5.037 1.00 0.00 H new ATOM 0 HA HIS A 46 24.137 6.014 -3.944 1.00 0.00 H new ATOM 0 HB2 HIS A 46 25.337 7.583 -5.205 1.00 0.00 H new ATOM 0 HB3 HIS A 46 24.217 8.886 -4.862 1.00 0.00 H new ATOM 0 HD1 HIS A 46 24.372 9.505 -1.861 1.00 0.00 H new ATOM 0 HD2 HIS A 46 27.468 7.814 -3.959 1.00 0.00 H new ATOM 0 HE1 HIS A 46 26.529 9.947 -0.468 1.00 0.00 H new ATOM 622 N SER A 47 23.625 6.477 -1.552 1.00 0.00 N ATOM 623 CA SER A 47 23.242 6.721 -0.132 1.00 0.00 C ATOM 624 C SER A 47 24.073 7.873 0.433 1.00 0.00 C ATOM 625 O SER A 47 25.249 7.998 0.156 1.00 0.00 O ATOM 626 CB SER A 47 23.500 5.458 0.690 1.00 0.00 C ATOM 627 OG SER A 47 23.026 4.324 -0.021 1.00 0.00 O ATOM 0 H SER A 47 24.168 5.629 -1.715 1.00 0.00 H new ATOM 0 HA SER A 47 22.184 6.979 -0.083 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.566 5.354 0.892 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.999 5.531 1.655 1.00 0.00 H new ATOM 0 HG SER A 47 23.193 3.514 0.505 1.00 0.00 H new ATOM 633 N LEU A 48 23.471 8.717 1.225 1.00 0.00 N ATOM 634 CA LEU A 48 24.225 9.861 1.808 1.00 0.00 C ATOM 635 C LEU A 48 24.835 9.447 3.150 1.00 0.00 C ATOM 636 O LEU A 48 24.880 10.220 4.085 1.00 0.00 O ATOM 637 CB LEU A 48 23.274 11.040 2.025 1.00 0.00 C ATOM 638 CG LEU A 48 22.514 11.329 0.728 1.00 0.00 C ATOM 639 CD1 LEU A 48 21.603 12.541 0.931 1.00 0.00 C ATOM 640 CD2 LEU A 48 23.512 11.623 -0.394 1.00 0.00 C ATOM 0 H LEU A 48 22.488 8.663 1.494 1.00 0.00 H new ATOM 0 HA LEU A 48 25.021 10.154 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 48 22.572 10.812 2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 48 23.835 11.922 2.334 1.00 0.00 H new ATOM 0 HG LEU A 48 21.911 10.462 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 48 21.061 12.748 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 48 20.892 12.332 1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 48 22.206 13.408 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 48 22.971 11.829 -1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 48 24.116 12.490 -0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 48 24.161 10.760 -0.539 1.00 0.00 H new ATOM 652 N THR A 49 25.307 8.233 3.254 1.00 0.00 N ATOM 653 CA THR A 49 25.911 7.782 4.540 1.00 0.00 C ATOM 654 C THR A 49 27.426 7.635 4.365 1.00 0.00 C ATOM 655 O THR A 49 28.183 8.532 4.678 1.00 0.00 O ATOM 656 CB THR A 49 25.303 6.436 4.948 1.00 0.00 C ATOM 657 OG1 THR A 49 24.358 6.029 3.968 1.00 0.00 O ATOM 658 CG2 THR A 49 24.608 6.577 6.302 1.00 0.00 C ATOM 0 H THR A 49 25.300 7.538 2.508 1.00 0.00 H new ATOM 0 HA THR A 49 25.706 8.517 5.318 1.00 0.00 H new ATOM 0 HB THR A 49 26.093 5.689 5.025 1.00 0.00 H new ATOM 0 HG1 THR A 49 23.969 5.167 4.226 1.00 0.00 H new ATOM 0 HG21 THR A 49 24.176 5.619 6.591 1.00 0.00 H new ATOM 0 HG22 THR A 49 25.334 6.889 7.053 1.00 0.00 H new ATOM 0 HG23 THR A 49 23.818 7.324 6.229 1.00 0.00 H new ATOM 666 N THR A 50 27.875 6.513 3.871 1.00 0.00 N ATOM 667 CA THR A 50 29.339 6.318 3.679 1.00 0.00 C ATOM 668 C THR A 50 29.732 6.782 2.276 1.00 0.00 C ATOM 669 O THR A 50 30.804 7.313 2.062 1.00 0.00 O ATOM 670 CB THR A 50 29.685 4.835 3.840 1.00 0.00 C ATOM 671 OG1 THR A 50 28.662 4.191 4.586 1.00 0.00 O ATOM 672 CG2 THR A 50 31.020 4.696 4.573 1.00 0.00 C ATOM 0 H THR A 50 27.291 5.724 3.593 1.00 0.00 H new ATOM 0 HA THR A 50 29.883 6.899 4.423 1.00 0.00 H new ATOM 0 HB THR A 50 29.765 4.371 2.857 1.00 0.00 H new ATOM 0 HG1 THR A 50 28.881 3.241 4.689 1.00 0.00 H new ATOM 0 HG21 THR A 50 31.264 3.640 4.687 1.00 0.00 H new ATOM 0 HG22 THR A 50 31.804 5.190 3.999 1.00 0.00 H new ATOM 0 HG23 THR A 50 30.945 5.159 5.557 1.00 0.00 H new ATOM 680 N GLY A 51 28.869 6.585 1.319 1.00 0.00 N ATOM 681 CA GLY A 51 29.184 7.013 -0.073 1.00 0.00 C ATOM 682 C GLY A 51 29.185 5.786 -0.987 1.00 0.00 C ATOM 683 O GLY A 51 30.039 5.632 -1.838 1.00 0.00 O ATOM 0 H GLY A 51 27.957 6.145 1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 51 28.448 7.739 -0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 51 30.156 7.506 -0.104 1.00 0.00 H new ATOM 687 N GLN A 52 28.231 4.911 -0.816 1.00 0.00 N ATOM 688 CA GLN A 52 28.174 3.693 -1.673 1.00 0.00 C ATOM 689 C GLN A 52 27.337 3.979 -2.922 1.00 0.00 C ATOM 690 O GLN A 52 26.987 5.107 -3.205 1.00 0.00 O ATOM 691 CB GLN A 52 27.539 2.545 -0.886 1.00 0.00 C ATOM 692 CG GLN A 52 27.945 2.650 0.586 1.00 0.00 C ATOM 693 CD GLN A 52 27.474 1.401 1.336 1.00 0.00 C ATOM 694 OE1 GLN A 52 27.256 0.366 0.739 1.00 0.00 O ATOM 695 NE2 GLN A 52 27.307 1.456 2.629 1.00 0.00 N ATOM 0 H GLN A 52 27.489 4.987 -0.120 1.00 0.00 H new ATOM 0 HA GLN A 52 29.185 3.415 -1.972 1.00 0.00 H new ATOM 0 HB2 GLN A 52 26.454 2.583 -0.979 1.00 0.00 H new ATOM 0 HB3 GLN A 52 27.861 1.587 -1.296 1.00 0.00 H new ATOM 0 HG2 GLN A 52 29.027 2.751 0.669 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.506 3.542 1.033 1.00 0.00 H new ATOM 0 HE21 GLN A 52 27.490 2.325 3.130 1.00 0.00 H new ATOM 0 HE22 GLN A 52 26.993 0.630 3.138 1.00 0.00 H new ATOM 704 N THR A 53 27.017 2.960 -3.669 1.00 0.00 N ATOM 705 CA THR A 53 26.204 3.159 -4.902 1.00 0.00 C ATOM 706 C THR A 53 25.288 1.941 -5.095 1.00 0.00 C ATOM 707 O THR A 53 25.714 0.810 -4.973 1.00 0.00 O ATOM 708 CB THR A 53 27.160 3.346 -6.103 1.00 0.00 C ATOM 709 OG1 THR A 53 26.931 4.621 -6.685 1.00 0.00 O ATOM 710 CG2 THR A 53 26.947 2.261 -7.170 1.00 0.00 C ATOM 0 H THR A 53 27.284 1.994 -3.478 1.00 0.00 H new ATOM 0 HA THR A 53 25.578 4.048 -4.819 1.00 0.00 H new ATOM 0 HB THR A 53 28.184 3.267 -5.738 1.00 0.00 H new ATOM 0 HG1 THR A 53 27.535 4.746 -7.446 1.00 0.00 H new ATOM 0 HG21 THR A 53 27.636 2.425 -7.998 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.132 1.280 -6.733 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.922 2.307 -7.537 1.00 0.00 H new ATOM 718 N GLY A 54 24.035 2.161 -5.397 1.00 0.00 N ATOM 719 CA GLY A 54 23.114 1.005 -5.592 1.00 0.00 C ATOM 720 C GLY A 54 21.927 1.417 -6.468 1.00 0.00 C ATOM 721 O GLY A 54 21.200 2.338 -6.155 1.00 0.00 O ATOM 0 H GLY A 54 23.614 3.082 -5.516 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.650 0.178 -6.058 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.756 0.649 -4.626 1.00 0.00 H new ATOM 725 N TYR A 55 21.733 0.744 -7.572 1.00 0.00 N ATOM 726 CA TYR A 55 20.599 1.091 -8.468 1.00 0.00 C ATOM 727 C TYR A 55 19.285 0.625 -7.837 1.00 0.00 C ATOM 728 O TYR A 55 19.147 -0.515 -7.438 1.00 0.00 O ATOM 729 CB TYR A 55 20.778 0.385 -9.811 1.00 0.00 C ATOM 730 CG TYR A 55 22.238 0.462 -10.262 1.00 0.00 C ATOM 731 CD1 TYR A 55 22.749 1.627 -10.800 1.00 0.00 C ATOM 732 CD2 TYR A 55 23.053 -0.648 -10.175 1.00 0.00 C ATOM 733 CE1 TYR A 55 24.051 1.677 -11.250 1.00 0.00 C ATOM 734 CE2 TYR A 55 24.357 -0.597 -10.624 1.00 0.00 C ATOM 735 CZ TYR A 55 24.866 0.567 -11.164 1.00 0.00 C ATOM 736 OH TYR A 55 26.170 0.619 -11.610 1.00 0.00 O ATOM 0 H TYR A 55 22.314 -0.032 -7.889 1.00 0.00 H new ATOM 0 HA TYR A 55 20.576 2.171 -8.615 1.00 0.00 H new ATOM 0 HB2 TYR A 55 20.472 -0.657 -9.725 1.00 0.00 H new ATOM 0 HB3 TYR A 55 20.134 0.846 -10.560 1.00 0.00 H new ATOM 0 HD1 TYR A 55 22.124 2.505 -10.869 1.00 0.00 H new ATOM 0 HD2 TYR A 55 22.667 -1.564 -9.752 1.00 0.00 H new ATOM 0 HE1 TYR A 55 24.436 2.593 -11.673 1.00 0.00 H new ATOM 0 HE2 TYR A 55 24.984 -1.474 -10.552 1.00 0.00 H new ATOM 0 HH TYR A 55 26.598 -0.252 -11.472 1.00 0.00 H new ATOM 746 N ILE A 56 18.319 1.496 -7.742 1.00 0.00 N ATOM 747 CA ILE A 56 17.015 1.102 -7.139 1.00 0.00 C ATOM 748 C ILE A 56 15.929 1.149 -8.223 1.00 0.00 C ATOM 749 O ILE A 56 15.915 2.048 -9.040 1.00 0.00 O ATOM 750 CB ILE A 56 16.661 2.074 -6.010 1.00 0.00 C ATOM 751 CG1 ILE A 56 16.559 3.496 -6.565 1.00 0.00 C ATOM 752 CG2 ILE A 56 17.752 2.026 -4.938 1.00 0.00 C ATOM 753 CD1 ILE A 56 15.259 4.142 -6.081 1.00 0.00 C ATOM 0 H ILE A 56 18.376 2.465 -8.056 1.00 0.00 H new ATOM 0 HA ILE A 56 17.084 0.093 -6.733 1.00 0.00 H new ATOM 0 HB ILE A 56 15.704 1.787 -5.574 1.00 0.00 H new ATOM 0 HG12 ILE A 56 17.415 4.087 -6.239 1.00 0.00 H new ATOM 0 HG13 ILE A 56 16.583 3.475 -7.655 1.00 0.00 H new ATOM 0 HG21 ILE A 56 17.502 2.717 -4.133 1.00 0.00 H new ATOM 0 HG22 ILE A 56 17.825 1.015 -4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 56 18.707 2.312 -5.378 1.00 0.00 H new ATOM 0 HD11 ILE A 56 15.187 5.155 -6.477 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.409 3.555 -6.429 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.254 4.177 -4.992 1.00 0.00 H new ATOM 765 N PRO A 57 15.051 0.175 -8.203 1.00 0.00 N ATOM 766 CA PRO A 57 13.954 0.094 -9.184 1.00 0.00 C ATOM 767 C PRO A 57 13.047 1.322 -9.065 1.00 0.00 C ATOM 768 O PRO A 57 12.781 1.805 -7.983 1.00 0.00 O ATOM 769 CB PRO A 57 13.191 -1.187 -8.817 1.00 0.00 C ATOM 770 CG PRO A 57 13.879 -1.802 -7.569 1.00 0.00 C ATOM 771 CD PRO A 57 15.077 -0.910 -7.206 1.00 0.00 C ATOM 0 HA PRO A 57 14.315 0.070 -10.212 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.145 -0.963 -8.606 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.204 -1.892 -9.648 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.179 -1.859 -6.736 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.210 -2.820 -7.777 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.987 -0.519 -6.193 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.013 -1.467 -7.251 1.00 0.00 H new ATOM 779 N SER A 58 12.577 1.834 -10.169 1.00 0.00 N ATOM 780 CA SER A 58 11.689 3.030 -10.120 1.00 0.00 C ATOM 781 C SER A 58 10.339 2.649 -9.510 1.00 0.00 C ATOM 782 O SER A 58 9.497 3.491 -9.269 1.00 0.00 O ATOM 783 CB SER A 58 11.476 3.562 -11.540 1.00 0.00 C ATOM 784 OG SER A 58 10.181 3.198 -11.999 1.00 0.00 O ATOM 0 H SER A 58 12.770 1.475 -11.104 1.00 0.00 H new ATOM 0 HA SER A 58 12.155 3.800 -9.506 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.585 4.646 -11.553 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.236 3.157 -12.208 1.00 0.00 H new ATOM 0 HG SER A 58 10.252 2.788 -12.886 1.00 0.00 H new ATOM 790 N ASN A 59 10.124 1.388 -9.255 1.00 0.00 N ATOM 791 CA ASN A 59 8.827 0.964 -8.660 1.00 0.00 C ATOM 792 C ASN A 59 8.960 0.891 -7.137 1.00 0.00 C ATOM 793 O ASN A 59 8.003 0.635 -6.434 1.00 0.00 O ATOM 794 CB ASN A 59 8.439 -0.412 -9.207 1.00 0.00 C ATOM 795 CG ASN A 59 7.611 -0.239 -10.483 1.00 0.00 C ATOM 796 OD1 ASN A 59 8.152 0.003 -11.545 1.00 0.00 O ATOM 797 ND2 ASN A 59 6.312 -0.352 -10.425 1.00 0.00 N ATOM 0 H ASN A 59 10.789 0.635 -9.433 1.00 0.00 H new ATOM 0 HA ASN A 59 8.055 1.689 -8.921 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.334 -0.997 -9.418 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.867 -0.963 -8.461 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.752 -0.237 -11.270 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.857 -0.555 -9.535 1.00 0.00 H new ATOM 804 N TYR A 60 10.140 1.113 -6.621 1.00 0.00 N ATOM 805 CA TYR A 60 10.326 1.055 -5.143 1.00 0.00 C ATOM 806 C TYR A 60 10.666 2.447 -4.607 1.00 0.00 C ATOM 807 O TYR A 60 10.962 2.613 -3.441 1.00 0.00 O ATOM 808 CB TYR A 60 11.464 0.090 -4.804 1.00 0.00 C ATOM 809 CG TYR A 60 10.887 -1.300 -4.534 1.00 0.00 C ATOM 810 CD1 TYR A 60 9.769 -1.738 -5.214 1.00 0.00 C ATOM 811 CD2 TYR A 60 11.478 -2.138 -3.610 1.00 0.00 C ATOM 812 CE1 TYR A 60 9.249 -2.992 -4.972 1.00 0.00 C ATOM 813 CE2 TYR A 60 10.957 -3.393 -3.368 1.00 0.00 C ATOM 814 CZ TYR A 60 9.839 -3.830 -4.047 1.00 0.00 C ATOM 815 OH TYR A 60 9.320 -5.085 -3.806 1.00 0.00 O ATOM 0 H TYR A 60 10.980 1.331 -7.157 1.00 0.00 H new ATOM 0 HA TYR A 60 9.402 0.706 -4.682 1.00 0.00 H new ATOM 0 HB2 TYR A 60 12.176 0.046 -5.628 1.00 0.00 H new ATOM 0 HB3 TYR A 60 12.009 0.446 -3.930 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.298 -1.094 -5.941 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.355 -1.809 -3.072 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.373 -3.321 -5.511 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.429 -4.038 -2.641 1.00 0.00 H new ATOM 0 HH TYR A 60 9.861 -5.538 -3.126 1.00 0.00 H new ATOM 825 N VAL A 61 10.633 3.447 -5.448 1.00 0.00 N ATOM 826 CA VAL A 61 10.955 4.826 -4.978 1.00 0.00 C ATOM 827 C VAL A 61 9.876 5.790 -5.469 1.00 0.00 C ATOM 828 O VAL A 61 9.077 5.464 -6.325 1.00 0.00 O ATOM 829 CB VAL A 61 12.324 5.260 -5.520 1.00 0.00 C ATOM 830 CG1 VAL A 61 12.452 4.859 -6.994 1.00 0.00 C ATOM 831 CG2 VAL A 61 12.482 6.777 -5.396 1.00 0.00 C ATOM 0 H VAL A 61 10.398 3.369 -6.437 1.00 0.00 H new ATOM 0 HA VAL A 61 10.988 4.838 -3.889 1.00 0.00 H new ATOM 0 HB VAL A 61 13.102 4.767 -4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.426 5.170 -7.372 1.00 0.00 H new ATOM 0 HG12 VAL A 61 12.355 3.777 -7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.666 5.344 -7.573 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.457 7.074 -5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 61 11.698 7.272 -5.968 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.404 7.066 -4.348 1.00 0.00 H new ATOM 841 N ALA A 62 9.850 6.975 -4.933 1.00 0.00 N ATOM 842 CA ALA A 62 8.823 7.966 -5.366 1.00 0.00 C ATOM 843 C ALA A 62 9.285 9.378 -4.994 1.00 0.00 C ATOM 844 O ALA A 62 9.972 9.563 -4.010 1.00 0.00 O ATOM 845 CB ALA A 62 7.496 7.663 -4.668 1.00 0.00 C ATOM 0 H ALA A 62 10.494 7.303 -4.213 1.00 0.00 H new ATOM 0 HA ALA A 62 8.689 7.901 -6.446 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.745 8.387 -4.984 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.166 6.659 -4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.630 7.727 -3.588 1.00 0.00 H new ATOM 851 N PRO A 63 8.891 10.335 -5.799 1.00 0.00 N ATOM 852 CA PRO A 63 9.252 11.745 -5.576 1.00 0.00 C ATOM 853 C PRO A 63 8.683 12.227 -4.238 1.00 0.00 C ATOM 854 O PRO A 63 7.659 11.758 -3.784 1.00 0.00 O ATOM 855 CB PRO A 63 8.606 12.506 -6.741 1.00 0.00 C ATOM 856 CG PRO A 63 7.843 11.475 -7.613 1.00 0.00 C ATOM 857 CD PRO A 63 8.058 10.085 -6.991 1.00 0.00 C ATOM 0 HA PRO A 63 10.331 11.898 -5.537 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.924 13.270 -6.367 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.366 13.018 -7.331 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.781 11.717 -7.650 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.210 11.496 -8.639 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.110 9.620 -6.721 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.556 9.411 -7.688 1.00 0.00 H new ATOM 865 N SER A 64 9.339 13.161 -3.605 1.00 0.00 N ATOM 866 CA SER A 64 8.833 13.669 -2.299 1.00 0.00 C ATOM 867 C SER A 64 8.719 12.509 -1.309 1.00 0.00 C ATOM 868 O SER A 64 8.747 11.372 -1.753 1.00 0.00 O ATOM 869 CB SER A 64 7.456 14.303 -2.499 1.00 0.00 C ATOM 870 OG SER A 64 7.467 15.629 -1.990 1.00 0.00 O ATOM 871 OXT SER A 64 8.603 12.775 -0.124 1.00 0.00 O ATOM 0 H SER A 64 10.202 13.593 -3.935 1.00 0.00 H new ATOM 0 HA SER A 64 9.525 14.415 -1.907 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.198 14.311 -3.558 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.694 13.713 -1.989 1.00 0.00 H new ATOM 0 HG SER A 64 6.585 16.036 -2.119 1.00 0.00 H new TER 877 SER A 64