USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 599 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= 0 (180deg=-0.0228) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -167:sc= -1.62 (180deg=-1.81) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= -4.01! C(o=-4!,f=-3.6!) USER MOD Single : A 21 MET CE :methyl -139:sc= -1.66! (180deg=-4.1!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.854 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot -80:sc= 0.00294 USER MOD Single : A 39 MET CE :methyl -149:sc= -0.573 (180deg=-1.48) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -140:sc= -0.401 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -140:sc= 0.45 (180deg=0.0121) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.512 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.312 3.693 7.671 1.00 0.00 N ATOM 2 CA MET A 1 -16.312 4.081 6.638 1.00 0.00 C ATOM 3 C MET A 1 -17.247 5.185 7.145 1.00 0.00 C ATOM 4 O MET A 1 -18.454 5.153 6.891 1.00 0.00 O ATOM 5 CB MET A 1 -17.120 2.835 6.252 1.00 0.00 C ATOM 6 CG MET A 1 -17.801 2.943 4.896 1.00 0.00 C ATOM 7 SD MET A 1 -17.927 1.350 4.058 1.00 0.00 S ATOM 8 CE MET A 1 -18.708 1.828 2.517 1.00 0.00 C ATOM 0 H1 MET A 1 -14.752 2.888 7.326 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.681 4.497 7.863 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.804 3.423 8.546 1.00 0.00 H new ATOM 0 HA MET A 1 -15.789 4.478 5.768 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.457 1.970 6.248 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.877 2.653 7.015 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.799 3.361 5.026 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.244 3.638 4.267 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.851 0.946 1.893 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.675 2.285 2.726 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.073 2.544 1.994 1.00 0.00 H new ATOM 20 N VAL A 2 -16.685 6.163 7.857 1.00 0.00 N ATOM 21 CA VAL A 2 -17.475 7.274 8.390 1.00 0.00 C ATOM 22 C VAL A 2 -17.160 8.581 7.659 1.00 0.00 C ATOM 23 O VAL A 2 -18.058 9.384 7.400 1.00 0.00 O ATOM 24 CB VAL A 2 -17.253 7.466 9.909 1.00 0.00 C ATOM 25 CG1 VAL A 2 -17.882 6.321 10.689 1.00 0.00 C ATOM 26 CG2 VAL A 2 -15.772 7.588 10.239 1.00 0.00 C ATOM 0 H VAL A 2 -15.690 6.209 8.077 1.00 0.00 H new ATOM 0 HA VAL A 2 -18.521 7.016 8.225 1.00 0.00 H new ATOM 0 HB VAL A 2 -17.739 8.396 10.204 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -17.716 6.473 11.756 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -18.953 6.290 10.489 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -17.428 5.379 10.382 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -15.649 7.722 11.314 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -15.253 6.682 9.924 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -15.352 8.447 9.716 1.00 0.00 H new ATOM 36 N SER A 3 -15.883 8.787 7.326 1.00 0.00 N ATOM 37 CA SER A 3 -15.455 9.992 6.624 1.00 0.00 C ATOM 38 C SER A 3 -14.587 9.635 5.420 1.00 0.00 C ATOM 39 O SER A 3 -13.527 9.022 5.570 1.00 0.00 O ATOM 40 CB SER A 3 -14.684 10.913 7.571 1.00 0.00 C ATOM 41 OG SER A 3 -15.550 11.848 8.189 1.00 0.00 O ATOM 0 H SER A 3 -15.129 8.132 7.533 1.00 0.00 H new ATOM 0 HA SER A 3 -16.343 10.514 6.269 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.182 10.318 8.334 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.908 11.442 7.018 1.00 0.00 H new ATOM 0 HG SER A 3 -15.034 12.424 8.791 1.00 0.00 H new ATOM 47 N THR A 4 -15.045 10.013 4.226 1.00 0.00 N ATOM 48 CA THR A 4 -14.309 9.721 2.998 1.00 0.00 C ATOM 49 C THR A 4 -14.509 10.820 1.955 1.00 0.00 C ATOM 50 O THR A 4 -15.598 11.388 1.837 1.00 0.00 O ATOM 51 CB THR A 4 -14.752 8.369 2.422 1.00 0.00 C ATOM 52 OG1 THR A 4 -16.015 8.479 1.786 1.00 0.00 O ATOM 53 CG2 THR A 4 -14.865 7.276 3.464 1.00 0.00 C ATOM 0 H THR A 4 -15.919 10.520 4.084 1.00 0.00 H new ATOM 0 HA THR A 4 -13.249 9.677 3.248 1.00 0.00 H new ATOM 0 HB THR A 4 -13.971 8.096 1.712 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.277 7.606 1.425 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.182 6.349 2.986 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.896 7.126 3.940 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.598 7.565 4.217 1.00 0.00 H new ATOM 61 N TYR A 5 -13.452 11.106 1.194 1.00 0.00 N ATOM 62 CA TYR A 5 -13.508 12.128 0.150 1.00 0.00 C ATOM 63 C TYR A 5 -13.460 11.498 -1.242 1.00 0.00 C ATOM 64 O TYR A 5 -14.144 11.954 -2.160 1.00 0.00 O ATOM 65 CB TYR A 5 -12.358 13.125 0.313 1.00 0.00 C ATOM 66 CG TYR A 5 -12.698 14.303 1.199 1.00 0.00 C ATOM 67 CD1 TYR A 5 -12.721 14.173 2.582 1.00 0.00 C ATOM 68 CD2 TYR A 5 -12.994 15.546 0.652 1.00 0.00 C ATOM 69 CE1 TYR A 5 -13.030 15.246 3.394 1.00 0.00 C ATOM 70 CE2 TYR A 5 -13.304 16.624 1.458 1.00 0.00 C ATOM 71 CZ TYR A 5 -13.320 16.469 2.828 1.00 0.00 C ATOM 72 OH TYR A 5 -13.628 17.541 3.635 1.00 0.00 O ATOM 0 H TYR A 5 -12.547 10.644 1.282 1.00 0.00 H new ATOM 0 HA TYR A 5 -14.455 12.658 0.254 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -11.494 12.606 0.729 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -12.066 13.493 -0.670 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -12.493 13.217 3.029 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -12.981 15.671 -0.421 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -13.044 15.128 4.467 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -13.533 17.583 1.017 1.00 0.00 H new ATOM 0 HH TYR A 5 -13.806 18.328 3.079 1.00 0.00 H new ATOM 82 N ASP A 6 -12.649 10.448 -1.389 1.00 0.00 N ATOM 83 CA ASP A 6 -12.511 9.751 -2.667 1.00 0.00 C ATOM 84 C ASP A 6 -11.977 8.332 -2.464 1.00 0.00 C ATOM 85 O ASP A 6 -11.630 7.942 -1.344 1.00 0.00 O ATOM 86 CB ASP A 6 -11.581 10.530 -3.608 1.00 0.00 C ATOM 87 CG ASP A 6 -12.069 10.542 -5.048 1.00 0.00 C ATOM 88 OD1 ASP A 6 -12.571 9.499 -5.520 1.00 0.00 O ATOM 89 OD2 ASP A 6 -11.945 11.596 -5.706 1.00 0.00 O ATOM 0 H ASP A 6 -12.078 10.062 -0.637 1.00 0.00 H new ATOM 0 HA ASP A 6 -13.500 9.686 -3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.490 11.556 -3.252 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.584 10.090 -3.571 1.00 0.00 H new ATOM 94 N GLU A 7 -11.912 7.566 -3.555 1.00 0.00 N ATOM 95 CA GLU A 7 -11.422 6.191 -3.507 1.00 0.00 C ATOM 96 C GLU A 7 -10.371 5.950 -4.588 1.00 0.00 C ATOM 97 O GLU A 7 -10.603 6.231 -5.765 1.00 0.00 O ATOM 98 CB GLU A 7 -12.581 5.207 -3.679 1.00 0.00 C ATOM 99 CG GLU A 7 -13.670 5.355 -2.627 1.00 0.00 C ATOM 100 CD GLU A 7 -14.943 4.619 -2.997 1.00 0.00 C ATOM 101 OE1 GLU A 7 -14.897 3.376 -3.118 1.00 0.00 O ATOM 102 OE2 GLU A 7 -15.986 5.285 -3.165 1.00 0.00 O ATOM 0 H GLU A 7 -12.194 7.878 -4.484 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.960 6.031 -2.533 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.021 5.346 -4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.191 4.190 -3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.302 4.979 -1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.894 6.413 -2.488 1.00 0.00 H new ATOM 109 N ILE A 8 -9.215 5.432 -4.177 1.00 0.00 N ATOM 110 CA ILE A 8 -8.118 5.153 -5.103 1.00 0.00 C ATOM 111 C ILE A 8 -7.917 3.648 -5.284 1.00 0.00 C ATOM 112 O ILE A 8 -8.278 2.856 -4.414 1.00 0.00 O ATOM 113 CB ILE A 8 -6.797 5.788 -4.610 1.00 0.00 C ATOM 114 CG1 ILE A 8 -7.016 7.252 -4.210 1.00 0.00 C ATOM 115 CG2 ILE A 8 -5.721 5.688 -5.684 1.00 0.00 C ATOM 116 CD1 ILE A 8 -7.315 7.445 -2.738 1.00 0.00 C ATOM 0 H ILE A 8 -9.013 5.196 -3.205 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.389 5.594 -6.062 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.462 5.237 -3.731 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.127 7.827 -4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.840 7.659 -4.795 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.799 6.140 -5.319 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.541 4.640 -5.923 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.052 6.213 -6.580 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.458 8.506 -2.532 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.221 6.899 -2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.481 7.069 -2.145 1.00 0.00 H new ATOM 128 N GLU A 9 -7.340 3.262 -6.422 1.00 0.00 N ATOM 129 CA GLU A 9 -7.093 1.853 -6.722 1.00 0.00 C ATOM 130 C GLU A 9 -5.598 1.540 -6.719 1.00 0.00 C ATOM 131 O GLU A 9 -4.776 2.379 -7.094 1.00 0.00 O ATOM 132 CB GLU A 9 -7.695 1.491 -8.083 1.00 0.00 C ATOM 133 CG GLU A 9 -9.217 1.556 -8.117 1.00 0.00 C ATOM 134 CD GLU A 9 -9.747 2.809 -8.797 1.00 0.00 C ATOM 135 OE1 GLU A 9 -9.139 3.889 -8.627 1.00 0.00 O ATOM 136 OE2 GLU A 9 -10.777 2.710 -9.497 1.00 0.00 O ATOM 0 H GLU A 9 -7.035 3.906 -7.151 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.569 1.256 -5.944 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.294 2.167 -8.839 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.377 0.484 -8.355 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.600 0.678 -8.637 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.599 1.514 -7.097 1.00 0.00 H new ATOM 143 N ILE A 10 -5.256 0.320 -6.301 1.00 0.00 N ATOM 144 CA ILE A 10 -3.862 -0.118 -6.254 1.00 0.00 C ATOM 145 C ILE A 10 -3.237 -0.134 -7.652 1.00 0.00 C ATOM 146 O ILE A 10 -2.048 0.152 -7.809 1.00 0.00 O ATOM 147 CB ILE A 10 -3.725 -1.517 -5.610 1.00 0.00 C ATOM 148 CG1 ILE A 10 -2.250 -1.888 -5.448 1.00 0.00 C ATOM 149 CG2 ILE A 10 -4.454 -2.572 -6.435 1.00 0.00 C ATOM 150 CD1 ILE A 10 -1.958 -2.682 -4.195 1.00 0.00 C ATOM 0 H ILE A 10 -5.927 -0.382 -5.990 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.327 0.603 -5.635 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.186 -1.483 -4.623 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.932 -2.466 -6.316 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.654 -0.975 -5.437 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.342 -3.547 -5.960 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.512 -2.318 -6.497 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.030 -2.606 -7.438 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.893 -2.909 -4.148 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.244 -2.099 -3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.526 -3.612 -4.213 1.00 0.00 H new ATOM 162 N GLU A 11 -4.044 -0.465 -8.663 1.00 0.00 N ATOM 163 CA GLU A 11 -3.569 -0.511 -10.045 1.00 0.00 C ATOM 164 C GLU A 11 -3.138 0.877 -10.527 1.00 0.00 C ATOM 165 O GLU A 11 -2.214 1.000 -11.332 1.00 0.00 O ATOM 166 CB GLU A 11 -4.652 -1.074 -10.972 1.00 0.00 C ATOM 167 CG GLU A 11 -5.957 -0.287 -10.953 1.00 0.00 C ATOM 168 CD GLU A 11 -6.779 -0.484 -12.214 1.00 0.00 C ATOM 169 OE1 GLU A 11 -7.168 -1.638 -12.496 1.00 0.00 O ATOM 170 OE2 GLU A 11 -7.036 0.515 -12.917 1.00 0.00 O ATOM 0 H GLU A 11 -5.029 -0.705 -8.549 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.702 -1.171 -10.075 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.268 -1.095 -11.992 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.858 -2.106 -10.688 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.547 -0.591 -10.088 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.735 0.773 -10.831 1.00 0.00 H new ATOM 177 N ASP A 12 -3.807 1.918 -10.023 1.00 0.00 N ATOM 178 CA ASP A 12 -3.489 3.294 -10.397 1.00 0.00 C ATOM 179 C ASP A 12 -2.563 3.945 -9.366 1.00 0.00 C ATOM 180 O ASP A 12 -2.695 5.132 -9.058 1.00 0.00 O ATOM 181 CB ASP A 12 -4.777 4.115 -10.539 1.00 0.00 C ATOM 182 CG ASP A 12 -5.431 3.941 -11.896 1.00 0.00 C ATOM 183 OD1 ASP A 12 -4.739 4.135 -12.920 1.00 0.00 O ATOM 184 OD2 ASP A 12 -6.635 3.615 -11.936 1.00 0.00 O ATOM 0 H ASP A 12 -4.572 1.831 -9.354 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.971 3.273 -11.356 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.480 3.819 -9.760 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.551 5.170 -10.381 1.00 0.00 H new ATOM 189 N MET A 13 -1.624 3.160 -8.835 1.00 0.00 N ATOM 190 CA MET A 13 -0.679 3.657 -7.841 1.00 0.00 C ATOM 191 C MET A 13 0.752 3.267 -8.201 1.00 0.00 C ATOM 192 O MET A 13 0.981 2.255 -8.867 1.00 0.00 O ATOM 193 CB MET A 13 -1.039 3.113 -6.457 1.00 0.00 C ATOM 194 CG MET A 13 -0.824 4.113 -5.333 1.00 0.00 C ATOM 195 SD MET A 13 -2.039 3.940 -4.012 1.00 0.00 S ATOM 196 CE MET A 13 -1.009 4.178 -2.566 1.00 0.00 C ATOM 0 H MET A 13 -1.500 2.177 -9.079 1.00 0.00 H new ATOM 0 HA MET A 13 -0.741 4.745 -7.826 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.083 2.801 -6.459 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.441 2.223 -6.259 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.177 3.982 -4.921 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.873 5.124 -5.737 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.558 3.875 -1.674 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.106 3.574 -2.659 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.735 5.230 -2.484 1.00 0.00 H new ATOM 206 N THR A 14 1.714 4.076 -7.754 1.00 0.00 N ATOM 207 CA THR A 14 3.126 3.816 -8.027 1.00 0.00 C ATOM 208 C THR A 14 3.687 2.776 -7.058 1.00 0.00 C ATOM 209 O THR A 14 3.063 2.459 -6.043 1.00 0.00 O ATOM 210 CB THR A 14 3.947 5.110 -7.936 1.00 0.00 C ATOM 211 OG1 THR A 14 3.130 6.250 -8.150 1.00 0.00 O ATOM 212 CG2 THR A 14 5.085 5.168 -8.935 1.00 0.00 C ATOM 0 H THR A 14 1.540 4.916 -7.202 1.00 0.00 H new ATOM 0 HA THR A 14 3.200 3.424 -9.041 1.00 0.00 H new ATOM 0 HB THR A 14 4.364 5.111 -6.929 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.676 7.061 -8.085 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.625 6.108 -8.818 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.765 4.334 -8.760 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.685 5.104 -9.947 1.00 0.00 H new ATOM 220 N PHE A 15 4.865 2.249 -7.383 1.00 0.00 N ATOM 221 CA PHE A 15 5.513 1.241 -6.549 1.00 0.00 C ATOM 222 C PHE A 15 6.873 1.729 -6.060 1.00 0.00 C ATOM 223 O PHE A 15 7.633 2.333 -6.820 1.00 0.00 O ATOM 224 CB PHE A 15 5.682 -0.071 -7.327 1.00 0.00 C ATOM 225 CG PHE A 15 4.510 -0.413 -8.210 1.00 0.00 C ATOM 226 CD1 PHE A 15 3.215 -0.337 -7.726 1.00 0.00 C ATOM 227 CD2 PHE A 15 4.707 -0.807 -9.525 1.00 0.00 C ATOM 228 CE1 PHE A 15 2.138 -0.646 -8.534 1.00 0.00 C ATOM 229 CE2 PHE A 15 3.634 -1.117 -10.338 1.00 0.00 C ATOM 230 CZ PHE A 15 2.347 -1.036 -9.842 1.00 0.00 C ATOM 0 H PHE A 15 5.391 2.504 -8.219 1.00 0.00 H new ATOM 0 HA PHE A 15 4.875 1.063 -5.683 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.580 -0.004 -7.941 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.840 -0.884 -6.619 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.045 -0.032 -6.704 1.00 0.00 H new ATOM 0 HD2 PHE A 15 5.711 -0.872 -9.918 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.133 -0.583 -8.143 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.801 -1.422 -11.360 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.506 -1.277 -10.476 1.00 0.00 H new ATOM 240 N GLU A 16 7.175 1.459 -4.790 1.00 0.00 N ATOM 241 CA GLU A 16 8.447 1.864 -4.199 1.00 0.00 C ATOM 242 C GLU A 16 9.353 0.651 -3.981 1.00 0.00 C ATOM 243 O GLU A 16 9.309 0.014 -2.925 1.00 0.00 O ATOM 244 CB GLU A 16 8.213 2.586 -2.871 1.00 0.00 C ATOM 245 CG GLU A 16 9.193 3.719 -2.618 1.00 0.00 C ATOM 246 CD GLU A 16 8.596 5.085 -2.892 1.00 0.00 C ATOM 247 OE1 GLU A 16 8.215 5.347 -4.054 1.00 0.00 O ATOM 248 OE2 GLU A 16 8.512 5.895 -1.944 1.00 0.00 O ATOM 0 H GLU A 16 6.555 0.961 -4.152 1.00 0.00 H new ATOM 0 HA GLU A 16 8.940 2.547 -4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.198 2.984 -2.856 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.285 1.865 -2.057 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.531 3.676 -1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.073 3.579 -3.246 1.00 0.00 H new ATOM 255 N PRO A 17 10.184 0.306 -4.987 1.00 0.00 N ATOM 256 CA PRO A 17 11.096 -0.844 -4.906 1.00 0.00 C ATOM 257 C PRO A 17 12.289 -0.596 -3.976 1.00 0.00 C ATOM 258 O PRO A 17 13.441 -0.574 -4.416 1.00 0.00 O ATOM 259 CB PRO A 17 11.561 -1.023 -6.353 1.00 0.00 C ATOM 260 CG PRO A 17 11.458 0.335 -6.956 1.00 0.00 C ATOM 261 CD PRO A 17 10.287 1.002 -6.287 1.00 0.00 C ATOM 0 HA PRO A 17 10.605 -1.723 -4.487 1.00 0.00 H new ATOM 0 HB2 PRO A 17 12.583 -1.399 -6.396 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.935 -1.740 -6.884 1.00 0.00 H new ATOM 0 HG2 PRO A 17 12.374 0.903 -6.795 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.307 0.272 -8.034 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.456 2.071 -6.157 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.375 0.892 -6.873 1.00 0.00 H new ATOM 269 N GLU A 18 12.003 -0.418 -2.688 1.00 0.00 N ATOM 270 CA GLU A 18 13.047 -0.179 -1.692 1.00 0.00 C ATOM 271 C GLU A 18 12.730 -0.892 -0.375 1.00 0.00 C ATOM 272 O GLU A 18 13.596 -1.552 0.202 1.00 0.00 O ATOM 273 CB GLU A 18 13.232 1.325 -1.453 1.00 0.00 C ATOM 274 CG GLU A 18 11.930 2.094 -1.293 1.00 0.00 C ATOM 275 CD GLU A 18 12.154 3.589 -1.177 1.00 0.00 C ATOM 276 OE1 GLU A 18 12.206 4.265 -2.226 1.00 0.00 O ATOM 277 OE2 GLU A 18 12.284 4.084 -0.038 1.00 0.00 O ATOM 0 H GLU A 18 11.056 -0.435 -2.309 1.00 0.00 H new ATOM 0 HA GLU A 18 13.979 -0.588 -2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.838 1.468 -0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.791 1.748 -2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.284 1.891 -2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.407 1.737 -0.406 1.00 0.00 H new ATOM 284 N ASN A 19 11.485 -0.762 0.090 1.00 0.00 N ATOM 285 CA ASN A 19 11.056 -1.400 1.334 1.00 0.00 C ATOM 286 C ASN A 19 9.644 -1.983 1.207 1.00 0.00 C ATOM 287 O ASN A 19 8.912 -2.075 2.195 1.00 0.00 O ATOM 288 CB ASN A 19 11.108 -0.395 2.489 1.00 0.00 C ATOM 289 CG ASN A 19 12.446 -0.405 3.202 1.00 0.00 C ATOM 290 OD1 ASN A 19 13.371 0.310 2.818 1.00 0.00 O ATOM 291 ND2 ASN A 19 12.558 -1.219 4.247 1.00 0.00 N ATOM 0 H ASN A 19 10.758 -0.221 -0.377 1.00 0.00 H new ATOM 0 HA ASN A 19 11.741 -2.222 1.541 1.00 0.00 H new ATOM 0 HB2 ASN A 19 10.911 0.606 2.105 1.00 0.00 H new ATOM 0 HB3 ASN A 19 10.317 -0.624 3.203 1.00 0.00 H new ATOM 0 HD21 ASN A 19 13.436 -1.268 4.764 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.766 -1.795 4.532 1.00 0.00 H new ATOM 298 N GLN A 20 9.273 -2.389 -0.013 1.00 0.00 N ATOM 299 CA GLN A 20 7.958 -2.975 -0.272 1.00 0.00 C ATOM 300 C GLN A 20 6.827 -2.038 0.159 1.00 0.00 C ATOM 301 O GLN A 20 6.098 -2.318 1.114 1.00 0.00 O ATOM 302 CB GLN A 20 7.833 -4.325 0.439 1.00 0.00 C ATOM 303 CG GLN A 20 8.205 -5.509 -0.439 1.00 0.00 C ATOM 304 CD GLN A 20 8.018 -6.843 0.262 1.00 0.00 C ATOM 305 OE1 GLN A 20 7.481 -6.910 1.368 1.00 0.00 O ATOM 306 NE2 GLN A 20 8.464 -7.916 -0.381 1.00 0.00 N ATOM 0 H GLN A 20 9.870 -2.321 -0.838 1.00 0.00 H new ATOM 0 HA GLN A 20 7.867 -3.128 -1.347 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.472 -4.322 1.322 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.808 -4.449 0.788 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.596 -5.490 -1.343 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.244 -5.411 -0.752 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.903 -7.816 -1.296 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.367 -8.840 0.040 1.00 0.00 H new ATOM 315 N MET A 21 6.683 -0.925 -0.559 1.00 0.00 N ATOM 316 CA MET A 21 5.637 0.050 -0.261 1.00 0.00 C ATOM 317 C MET A 21 5.159 0.746 -1.533 1.00 0.00 C ATOM 318 O MET A 21 5.867 0.775 -2.540 1.00 0.00 O ATOM 319 CB MET A 21 6.130 1.086 0.755 1.00 0.00 C ATOM 320 CG MET A 21 7.300 1.927 0.268 1.00 0.00 C ATOM 321 SD MET A 21 7.861 3.111 1.506 1.00 0.00 S ATOM 322 CE MET A 21 9.632 3.044 1.259 1.00 0.00 C ATOM 0 H MET A 21 7.277 -0.677 -1.350 1.00 0.00 H new ATOM 0 HA MET A 21 4.795 -0.489 0.174 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.303 1.748 1.013 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.423 0.571 1.670 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.127 1.271 -0.004 1.00 0.00 H new ATOM 0 HG3 MET A 21 7.008 2.462 -0.636 1.00 0.00 H new ATOM 0 HE1 MET A 21 10.135 3.058 2.226 1.00 0.00 H new ATOM 0 HE2 MET A 21 9.891 2.128 0.729 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.950 3.905 0.672 1.00 0.00 H new ATOM 332 N PHE A 22 3.953 1.305 -1.476 1.00 0.00 N ATOM 333 CA PHE A 22 3.371 2.006 -2.619 1.00 0.00 C ATOM 334 C PHE A 22 3.305 3.507 -2.354 1.00 0.00 C ATOM 335 O PHE A 22 3.341 3.945 -1.202 1.00 0.00 O ATOM 336 CB PHE A 22 1.966 1.468 -2.914 1.00 0.00 C ATOM 337 CG PHE A 22 1.948 0.222 -3.760 1.00 0.00 C ATOM 338 CD1 PHE A 22 2.866 -0.797 -3.548 1.00 0.00 C ATOM 339 CD2 PHE A 22 1.006 0.069 -4.765 1.00 0.00 C ATOM 340 CE1 PHE A 22 2.844 -1.941 -4.323 1.00 0.00 C ATOM 341 CE2 PHE A 22 0.980 -1.073 -5.542 1.00 0.00 C ATOM 342 CZ PHE A 22 1.900 -2.079 -5.321 1.00 0.00 C ATOM 0 H PHE A 22 3.358 1.286 -0.648 1.00 0.00 H new ATOM 0 HA PHE A 22 4.009 1.832 -3.486 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.463 1.260 -1.970 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.390 2.244 -3.418 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.606 -0.695 -2.768 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.284 0.852 -4.943 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.565 -2.726 -4.148 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.241 -1.179 -6.322 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.881 -2.972 -5.928 1.00 0.00 H new ATOM 352 N THR A 23 3.204 4.293 -3.425 1.00 0.00 N ATOM 353 CA THR A 23 3.129 5.746 -3.302 1.00 0.00 C ATOM 354 C THR A 23 2.029 6.322 -4.191 1.00 0.00 C ATOM 355 O THR A 23 1.711 5.768 -5.245 1.00 0.00 O ATOM 356 CB THR A 23 4.474 6.390 -3.653 1.00 0.00 C ATOM 357 OG1 THR A 23 4.942 5.940 -4.914 1.00 0.00 O ATOM 358 CG2 THR A 23 5.553 6.111 -2.630 1.00 0.00 C ATOM 0 H THR A 23 3.172 3.948 -4.384 1.00 0.00 H new ATOM 0 HA THR A 23 2.887 5.975 -2.264 1.00 0.00 H new ATOM 0 HB THR A 23 4.282 7.463 -3.672 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.801 6.367 -5.116 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.480 6.595 -2.938 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.244 6.501 -1.660 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.713 5.035 -2.554 1.00 0.00 H new ATOM 366 N TYR A 24 1.452 7.440 -3.752 1.00 0.00 N ATOM 367 CA TYR A 24 0.385 8.102 -4.494 1.00 0.00 C ATOM 368 C TYR A 24 0.323 9.585 -4.136 1.00 0.00 C ATOM 369 O TYR A 24 -0.196 9.948 -3.082 1.00 0.00 O ATOM 370 CB TYR A 24 -0.961 7.438 -4.189 1.00 0.00 C ATOM 371 CG TYR A 24 -2.066 7.816 -5.154 1.00 0.00 C ATOM 372 CD1 TYR A 24 -2.019 7.421 -6.485 1.00 0.00 C ATOM 373 CD2 TYR A 24 -3.157 8.566 -4.731 1.00 0.00 C ATOM 374 CE1 TYR A 24 -3.027 7.762 -7.367 1.00 0.00 C ATOM 375 CE2 TYR A 24 -4.169 8.911 -5.607 1.00 0.00 C ATOM 376 CZ TYR A 24 -4.100 8.506 -6.923 1.00 0.00 C ATOM 377 OH TYR A 24 -5.107 8.848 -7.798 1.00 0.00 O ATOM 0 H TYR A 24 1.709 7.906 -2.882 1.00 0.00 H new ATOM 0 HA TYR A 24 0.597 8.007 -5.559 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.833 6.356 -4.205 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.267 7.708 -3.178 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.181 6.838 -6.836 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.215 8.885 -3.701 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.975 7.447 -8.399 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.010 9.495 -5.262 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.787 9.371 -7.325 1.00 0.00 H new ATOM 387 N PRO A 25 0.855 10.465 -5.009 1.00 0.00 N ATOM 388 CA PRO A 25 0.853 11.913 -4.770 1.00 0.00 C ATOM 389 C PRO A 25 -0.536 12.434 -4.408 1.00 0.00 C ATOM 390 O PRO A 25 -1.378 12.648 -5.281 1.00 0.00 O ATOM 391 CB PRO A 25 1.320 12.497 -6.106 1.00 0.00 C ATOM 392 CG PRO A 25 2.128 11.413 -6.730 1.00 0.00 C ATOM 393 CD PRO A 25 1.500 10.118 -6.290 1.00 0.00 C ATOM 0 HA PRO A 25 1.488 12.191 -3.929 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.474 12.773 -6.735 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.914 13.399 -5.958 1.00 0.00 H new ATOM 0 HG2 PRO A 25 2.123 11.499 -7.817 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.169 11.470 -6.411 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.775 9.755 -7.019 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.246 9.333 -6.164 1.00 0.00 H new ATOM 401 N CYS A 26 -0.768 12.625 -3.109 1.00 0.00 N ATOM 402 CA CYS A 26 -2.056 13.112 -2.622 1.00 0.00 C ATOM 403 C CYS A 26 -2.363 14.493 -3.194 1.00 0.00 C ATOM 404 O CYS A 26 -1.476 15.346 -3.277 1.00 0.00 O ATOM 405 CB CYS A 26 -2.059 13.165 -1.089 1.00 0.00 C ATOM 406 SG CYS A 26 -3.644 13.691 -0.357 1.00 0.00 S ATOM 0 H CYS A 26 -0.080 12.450 -2.376 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.830 12.420 -2.954 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.804 12.178 -0.703 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.276 13.848 -0.760 1.00 0.00 H new ATOM 411 N PRO A 27 -3.630 14.731 -3.597 1.00 0.00 N ATOM 412 CA PRO A 27 -4.060 16.017 -4.161 1.00 0.00 C ATOM 413 C PRO A 27 -3.623 17.216 -3.318 1.00 0.00 C ATOM 414 O PRO A 27 -3.454 18.318 -3.845 1.00 0.00 O ATOM 415 CB PRO A 27 -5.584 15.903 -4.172 1.00 0.00 C ATOM 416 CG PRO A 27 -5.845 14.444 -4.297 1.00 0.00 C ATOM 417 CD PRO A 27 -4.743 13.762 -3.531 1.00 0.00 C ATOM 0 HA PRO A 27 -3.618 16.193 -5.142 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.019 16.308 -3.258 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.018 16.457 -5.004 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.822 14.185 -3.889 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.844 14.135 -5.342 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.037 13.557 -2.502 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.472 12.807 -3.981 1.00 0.00 H new ATOM 425 N CYS A 28 -3.434 16.997 -2.012 1.00 0.00 N ATOM 426 CA CYS A 28 -3.009 18.066 -1.110 1.00 0.00 C ATOM 427 C CYS A 28 -1.661 18.655 -1.539 1.00 0.00 C ATOM 428 O CYS A 28 -1.386 19.834 -1.300 1.00 0.00 O ATOM 429 CB CYS A 28 -2.925 17.548 0.330 1.00 0.00 C ATOM 430 SG CYS A 28 -1.377 16.672 0.731 1.00 0.00 S ATOM 0 H CYS A 28 -3.569 16.092 -1.560 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.755 18.859 -1.159 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.038 18.390 1.013 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.765 16.877 0.510 1.00 0.00 H new ATOM 435 N GLY A 29 -0.827 17.826 -2.173 1.00 0.00 N ATOM 436 CA GLY A 29 0.479 18.274 -2.628 1.00 0.00 C ATOM 437 C GLY A 29 1.631 17.447 -2.072 1.00 0.00 C ATOM 438 O GLY A 29 2.795 17.804 -2.265 1.00 0.00 O ATOM 0 H GLY A 29 -1.037 16.849 -2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.508 18.238 -3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.618 19.316 -2.340 1.00 0.00 H new ATOM 442 N ASP A 30 1.320 16.346 -1.382 1.00 0.00 N ATOM 443 CA ASP A 30 2.351 15.486 -0.808 1.00 0.00 C ATOM 444 C ASP A 30 2.359 14.109 -1.479 1.00 0.00 C ATOM 445 O ASP A 30 1.724 13.913 -2.518 1.00 0.00 O ATOM 446 CB ASP A 30 2.131 15.341 0.701 1.00 0.00 C ATOM 447 CG ASP A 30 3.435 15.292 1.474 1.00 0.00 C ATOM 448 OD1 ASP A 30 4.166 16.305 1.475 1.00 0.00 O ATOM 449 OD2 ASP A 30 3.729 14.235 2.073 1.00 0.00 O ATOM 0 H ASP A 30 0.365 16.032 -1.209 1.00 0.00 H new ATOM 0 HA ASP A 30 3.321 15.951 -0.985 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.530 16.177 1.060 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.562 14.432 0.897 1.00 0.00 H new ATOM 454 N ARG A 31 3.086 13.159 -0.884 1.00 0.00 N ATOM 455 CA ARG A 31 3.179 11.806 -1.425 1.00 0.00 C ATOM 456 C ARG A 31 2.593 10.787 -0.449 1.00 0.00 C ATOM 457 O ARG A 31 3.201 10.475 0.577 1.00 0.00 O ATOM 458 CB ARG A 31 4.639 11.459 -1.730 1.00 0.00 C ATOM 459 CG ARG A 31 4.802 10.359 -2.769 1.00 0.00 C ATOM 460 CD ARG A 31 4.806 10.924 -4.181 1.00 0.00 C ATOM 461 NE ARG A 31 5.688 10.172 -5.075 1.00 0.00 N ATOM 462 CZ ARG A 31 6.060 10.595 -6.288 1.00 0.00 C ATOM 463 NH1 ARG A 31 5.631 11.764 -6.757 1.00 0.00 N ATOM 464 NH2 ARG A 31 6.866 9.846 -7.032 1.00 0.00 N ATOM 0 H ARG A 31 3.618 13.305 -0.026 1.00 0.00 H new ATOM 0 HA ARG A 31 2.602 11.768 -2.349 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.151 12.356 -2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.130 11.151 -0.807 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.733 9.821 -2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.992 9.637 -2.667 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.791 10.911 -4.579 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.123 11.966 -4.153 1.00 0.00 H new ATOM 0 HE ARG A 31 6.040 9.270 -4.753 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.013 12.345 -6.190 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.920 12.079 -7.683 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.200 8.950 -6.678 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.151 10.167 -7.957 1.00 0.00 H new ATOM 478 N PHE A 32 1.410 10.269 -0.777 1.00 0.00 N ATOM 479 CA PHE A 32 0.741 9.283 0.068 1.00 0.00 C ATOM 480 C PHE A 32 1.434 7.925 -0.034 1.00 0.00 C ATOM 481 O PHE A 32 1.416 7.288 -1.087 1.00 0.00 O ATOM 482 CB PHE A 32 -0.732 9.150 -0.333 1.00 0.00 C ATOM 483 CG PHE A 32 -1.676 9.037 0.833 1.00 0.00 C ATOM 484 CD1 PHE A 32 -1.399 8.186 1.893 1.00 0.00 C ATOM 485 CD2 PHE A 32 -2.845 9.780 0.864 1.00 0.00 C ATOM 486 CE1 PHE A 32 -2.271 8.080 2.960 1.00 0.00 C ATOM 487 CE2 PHE A 32 -3.719 9.678 1.928 1.00 0.00 C ATOM 488 CZ PHE A 32 -3.432 8.828 2.977 1.00 0.00 C ATOM 0 H PHE A 32 0.896 10.516 -1.622 1.00 0.00 H new ATOM 0 HA PHE A 32 0.798 9.625 1.101 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.014 10.015 -0.933 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.847 8.271 -0.967 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.492 7.600 1.884 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.075 10.447 0.046 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.045 7.413 3.779 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.627 10.263 1.939 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.115 8.748 3.810 1.00 0.00 H new ATOM 498 N GLN A 33 2.047 7.488 1.065 1.00 0.00 N ATOM 499 CA GLN A 33 2.749 6.205 1.091 1.00 0.00 C ATOM 500 C GLN A 33 1.922 5.139 1.806 1.00 0.00 C ATOM 501 O GLN A 33 1.133 5.448 2.701 1.00 0.00 O ATOM 502 CB GLN A 33 4.110 6.350 1.778 1.00 0.00 C ATOM 503 CG GLN A 33 4.896 7.575 1.335 1.00 0.00 C ATOM 504 CD GLN A 33 6.353 7.514 1.750 1.00 0.00 C ATOM 505 OE1 GLN A 33 7.152 6.801 1.144 1.00 0.00 O ATOM 506 NE2 GLN A 33 6.708 8.262 2.790 1.00 0.00 N ATOM 0 H GLN A 33 2.072 8.001 1.946 1.00 0.00 H new ATOM 0 HA GLN A 33 2.902 5.891 0.059 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.959 6.398 2.856 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.704 5.458 1.579 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.834 7.669 0.251 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.438 8.469 1.759 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.013 8.839 3.264 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.675 8.259 3.114 1.00 0.00 H new ATOM 515 N ILE A 34 2.112 3.882 1.405 1.00 0.00 N ATOM 516 CA ILE A 34 1.388 2.763 2.005 1.00 0.00 C ATOM 517 C ILE A 34 2.181 1.460 1.869 1.00 0.00 C ATOM 518 O ILE A 34 2.513 1.036 0.760 1.00 0.00 O ATOM 519 CB ILE A 34 -0.011 2.593 1.367 1.00 0.00 C ATOM 520 CG1 ILE A 34 -0.806 1.498 2.088 1.00 0.00 C ATOM 521 CG2 ILE A 34 0.107 2.281 -0.119 1.00 0.00 C ATOM 522 CD1 ILE A 34 -1.849 2.036 3.044 1.00 0.00 C ATOM 0 H ILE A 34 2.762 3.614 0.666 1.00 0.00 H new ATOM 0 HA ILE A 34 1.262 2.990 3.064 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.550 3.534 1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.296 0.868 1.346 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.114 0.861 2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.889 2.166 -0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.626 3.097 -0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.669 1.357 -0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.372 1.205 3.517 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.363 2.642 3.809 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.564 2.649 2.495 1.00 0.00 H new ATOM 534 N TYR A 35 2.486 0.832 3.003 1.00 0.00 N ATOM 535 CA TYR A 35 3.242 -0.419 3.009 1.00 0.00 C ATOM 536 C TYR A 35 2.332 -1.614 2.732 1.00 0.00 C ATOM 537 O TYR A 35 1.156 -1.611 3.103 1.00 0.00 O ATOM 538 CB TYR A 35 3.950 -0.603 4.354 1.00 0.00 C ATOM 539 CG TYR A 35 5.190 0.249 4.513 1.00 0.00 C ATOM 540 CD1 TYR A 35 5.096 1.626 4.675 1.00 0.00 C ATOM 541 CD2 TYR A 35 6.455 -0.325 4.502 1.00 0.00 C ATOM 542 CE1 TYR A 35 6.227 2.406 4.823 1.00 0.00 C ATOM 543 CE2 TYR A 35 7.590 0.449 4.651 1.00 0.00 C ATOM 544 CZ TYR A 35 7.471 1.813 4.810 1.00 0.00 C ATOM 545 OH TYR A 35 8.599 2.586 4.961 1.00 0.00 O ATOM 0 H TYR A 35 2.222 1.169 3.929 1.00 0.00 H new ATOM 0 HA TYR A 35 3.987 -0.365 2.215 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.252 -0.366 5.157 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.224 -1.652 4.469 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.123 2.094 4.685 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.553 -1.393 4.375 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.137 3.475 4.948 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.566 -0.013 4.643 1.00 0.00 H new ATOM 0 HH TYR A 35 8.822 3.010 4.106 1.00 0.00 H new ATOM 555 N LEU A 36 2.888 -2.638 2.081 1.00 0.00 N ATOM 556 CA LEU A 36 2.132 -3.849 1.757 1.00 0.00 C ATOM 557 C LEU A 36 1.777 -4.627 3.023 1.00 0.00 C ATOM 558 O LEU A 36 0.701 -5.220 3.114 1.00 0.00 O ATOM 559 CB LEU A 36 2.931 -4.743 0.805 1.00 0.00 C ATOM 560 CG LEU A 36 3.529 -4.032 -0.411 1.00 0.00 C ATOM 561 CD1 LEU A 36 4.767 -4.765 -0.906 1.00 0.00 C ATOM 562 CD2 LEU A 36 2.493 -3.916 -1.519 1.00 0.00 C ATOM 0 H LEU A 36 3.859 -2.653 1.768 1.00 0.00 H new ATOM 0 HA LEU A 36 1.208 -3.544 1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.740 -5.211 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.281 -5.544 0.454 1.00 0.00 H new ATOM 0 HG LEU A 36 3.827 -3.027 -0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.177 -4.244 -1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.514 -4.795 -0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.498 -5.783 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.933 -3.408 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.165 -4.912 -1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.638 -3.345 -1.159 1.00 0.00 H new ATOM 574 N ASP A 37 2.685 -4.613 4.002 1.00 0.00 N ATOM 575 CA ASP A 37 2.462 -5.309 5.269 1.00 0.00 C ATOM 576 C ASP A 37 1.312 -4.666 6.048 1.00 0.00 C ATOM 577 O ASP A 37 0.468 -5.369 6.608 1.00 0.00 O ATOM 578 CB ASP A 37 3.736 -5.309 6.128 1.00 0.00 C ATOM 579 CG ASP A 37 4.384 -3.939 6.216 1.00 0.00 C ATOM 580 OD1 ASP A 37 5.218 -3.619 5.342 1.00 0.00 O ATOM 581 OD2 ASP A 37 4.053 -3.185 7.154 1.00 0.00 O ATOM 0 H ASP A 37 3.580 -4.128 3.941 1.00 0.00 H new ATOM 0 HA ASP A 37 2.197 -6.340 5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.492 -5.656 7.132 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.451 -6.018 5.710 1.00 0.00 H new ATOM 586 N ASP A 38 1.283 -3.330 6.083 1.00 0.00 N ATOM 587 CA ASP A 38 0.231 -2.607 6.801 1.00 0.00 C ATOM 588 C ASP A 38 -1.140 -2.890 6.195 1.00 0.00 C ATOM 589 O ASP A 38 -2.075 -3.267 6.903 1.00 0.00 O ATOM 590 CB ASP A 38 0.493 -1.095 6.788 1.00 0.00 C ATOM 591 CG ASP A 38 0.325 -0.445 8.155 1.00 0.00 C ATOM 592 OD1 ASP A 38 -0.067 -1.146 9.117 1.00 0.00 O ATOM 593 OD2 ASP A 38 0.586 0.773 8.264 1.00 0.00 O ATOM 0 H ASP A 38 1.971 -2.732 5.626 1.00 0.00 H new ATOM 0 HA ASP A 38 0.242 -2.959 7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.505 -0.911 6.427 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.188 -0.621 6.081 1.00 0.00 H new ATOM 598 N MET A 39 -1.250 -2.704 4.879 1.00 0.00 N ATOM 599 CA MET A 39 -2.508 -2.940 4.175 1.00 0.00 C ATOM 600 C MET A 39 -2.948 -4.402 4.294 1.00 0.00 C ATOM 601 O MET A 39 -4.144 -4.700 4.245 1.00 0.00 O ATOM 602 CB MET A 39 -2.382 -2.542 2.702 1.00 0.00 C ATOM 603 CG MET A 39 -1.385 -3.379 1.914 1.00 0.00 C ATOM 604 SD MET A 39 -1.218 -2.832 0.204 1.00 0.00 S ATOM 605 CE MET A 39 -2.914 -2.963 -0.357 1.00 0.00 C ATOM 0 H MET A 39 -0.485 -2.391 4.282 1.00 0.00 H new ATOM 0 HA MET A 39 -3.272 -2.319 4.643 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.361 -2.623 2.230 1.00 0.00 H new ATOM 0 HB3 MET A 39 -2.086 -1.494 2.644 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.412 -3.333 2.403 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.701 -4.422 1.929 1.00 0.00 H new ATOM 0 HE1 MET A 39 -2.928 -3.205 -1.420 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.422 -3.750 0.201 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.425 -2.014 -0.194 1.00 0.00 H new ATOM 615 N PHE A 40 -1.977 -5.306 4.458 1.00 0.00 N ATOM 616 CA PHE A 40 -2.263 -6.735 4.594 1.00 0.00 C ATOM 617 C PHE A 40 -3.239 -6.996 5.743 1.00 0.00 C ATOM 618 O PHE A 40 -4.044 -7.927 5.680 1.00 0.00 O ATOM 619 CB PHE A 40 -0.966 -7.513 4.833 1.00 0.00 C ATOM 620 CG PHE A 40 -0.890 -8.815 4.085 1.00 0.00 C ATOM 621 CD1 PHE A 40 -1.833 -9.811 4.288 1.00 0.00 C ATOM 622 CD2 PHE A 40 0.132 -9.043 3.179 1.00 0.00 C ATOM 623 CE1 PHE A 40 -1.757 -11.007 3.600 1.00 0.00 C ATOM 624 CE2 PHE A 40 0.213 -10.237 2.489 1.00 0.00 C ATOM 625 CZ PHE A 40 -0.732 -11.220 2.700 1.00 0.00 C ATOM 0 H PHE A 40 -0.985 -5.072 4.500 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.724 -7.074 3.666 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.121 -6.889 4.543 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.864 -7.712 5.900 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.636 -9.650 4.992 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.875 -8.278 3.010 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.499 -11.774 3.766 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.015 -10.401 1.785 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.670 -12.154 2.162 1.00 0.00 H new ATOM 635 N GLU A 41 -3.165 -6.168 6.789 1.00 0.00 N ATOM 636 CA GLU A 41 -4.045 -6.312 7.948 1.00 0.00 C ATOM 637 C GLU A 41 -5.325 -5.485 7.787 1.00 0.00 C ATOM 638 O GLU A 41 -5.801 -4.866 8.742 1.00 0.00 O ATOM 639 CB GLU A 41 -3.307 -5.904 9.227 1.00 0.00 C ATOM 640 CG GLU A 41 -2.430 -7.006 9.803 1.00 0.00 C ATOM 641 CD GLU A 41 -2.168 -6.831 11.287 1.00 0.00 C ATOM 642 OE1 GLU A 41 -3.143 -6.652 12.050 1.00 0.00 O ATOM 643 OE2 GLU A 41 -0.986 -6.874 11.688 1.00 0.00 O ATOM 0 H GLU A 41 -2.505 -5.393 6.855 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.333 -7.361 8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.688 -5.032 9.017 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.038 -5.603 9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.908 -7.971 9.634 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.479 -7.024 9.270 1.00 0.00 H new ATOM 650 N GLY A 42 -5.884 -5.491 6.576 1.00 0.00 N ATOM 651 CA GLY A 42 -7.106 -4.754 6.309 1.00 0.00 C ATOM 652 C GLY A 42 -6.973 -3.261 6.553 1.00 0.00 C ATOM 653 O GLY A 42 -7.631 -2.716 7.442 1.00 0.00 O ATOM 0 H GLY A 42 -5.508 -5.996 5.774 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.404 -4.921 5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.904 -5.148 6.938 1.00 0.00 H new ATOM 657 N GLU A 43 -6.129 -2.597 5.763 1.00 0.00 N ATOM 658 CA GLU A 43 -5.924 -1.158 5.900 1.00 0.00 C ATOM 659 C GLU A 43 -6.256 -0.431 4.596 1.00 0.00 C ATOM 660 O GLU A 43 -5.441 -0.383 3.672 1.00 0.00 O ATOM 661 CB GLU A 43 -4.481 -0.856 6.316 1.00 0.00 C ATOM 662 CG GLU A 43 -4.366 0.270 7.327 1.00 0.00 C ATOM 663 CD GLU A 43 -2.928 0.662 7.612 1.00 0.00 C ATOM 664 OE1 GLU A 43 -2.187 0.957 6.648 1.00 0.00 O ATOM 665 OE2 GLU A 43 -2.544 0.683 8.800 1.00 0.00 O ATOM 0 H GLU A 43 -5.578 -3.033 5.024 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.597 -0.797 6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.036 -1.758 6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.902 -0.598 5.429 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.908 1.140 6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.846 -0.033 8.257 1.00 0.00 H new ATOM 672 N LYS A 44 -7.459 0.135 4.531 1.00 0.00 N ATOM 673 CA LYS A 44 -7.908 0.866 3.344 1.00 0.00 C ATOM 674 C LYS A 44 -8.063 2.355 3.650 1.00 0.00 C ATOM 675 O LYS A 44 -7.822 3.201 2.787 1.00 0.00 O ATOM 676 CB LYS A 44 -9.241 0.307 2.830 1.00 0.00 C ATOM 677 CG LYS A 44 -9.286 -1.211 2.740 1.00 0.00 C ATOM 678 CD LYS A 44 -9.533 -1.841 4.102 1.00 0.00 C ATOM 679 CE LYS A 44 -10.437 -3.059 4.003 1.00 0.00 C ATOM 680 NZ LYS A 44 -11.284 -3.223 5.218 1.00 0.00 N ATOM 0 H LYS A 44 -8.143 0.102 5.287 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.149 0.739 2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.042 0.645 3.488 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.441 0.725 1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.074 -1.513 2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.345 -1.581 2.332 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.581 -2.130 4.547 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.986 -1.105 4.767 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.076 -2.966 3.125 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.828 -3.952 3.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.886 -4.065 5.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.675 -3.337 6.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.884 -2.382 5.339 1.00 0.00 H new ATOM 694 N VAL A 45 -8.469 2.665 4.885 1.00 0.00 N ATOM 695 CA VAL A 45 -8.660 4.048 5.315 1.00 0.00 C ATOM 696 C VAL A 45 -7.366 4.625 5.891 1.00 0.00 C ATOM 697 O VAL A 45 -7.169 4.654 7.109 1.00 0.00 O ATOM 698 CB VAL A 45 -9.789 4.169 6.366 1.00 0.00 C ATOM 699 CG1 VAL A 45 -11.150 3.973 5.715 1.00 0.00 C ATOM 700 CG2 VAL A 45 -9.586 3.170 7.499 1.00 0.00 C ATOM 0 H VAL A 45 -8.672 1.972 5.605 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.947 4.618 4.431 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.752 5.173 6.789 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.931 4.062 6.470 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.299 4.733 4.948 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.196 2.984 5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.392 3.275 8.225 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.590 2.157 7.096 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.631 3.363 7.987 1.00 0.00 H new ATOM 710 N ALA A 46 -6.483 5.079 5.006 1.00 0.00 N ATOM 711 CA ALA A 46 -5.205 5.651 5.423 1.00 0.00 C ATOM 712 C ALA A 46 -5.312 7.162 5.620 1.00 0.00 C ATOM 713 O ALA A 46 -6.070 7.838 4.921 1.00 0.00 O ATOM 714 CB ALA A 46 -4.122 5.321 4.406 1.00 0.00 C ATOM 0 H ALA A 46 -6.628 5.062 3.997 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.934 5.208 6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.175 5.753 4.729 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.018 4.239 4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.397 5.734 3.435 1.00 0.00 H new ATOM 720 N VAL A 47 -4.546 7.685 6.577 1.00 0.00 N ATOM 721 CA VAL A 47 -4.551 9.115 6.868 1.00 0.00 C ATOM 722 C VAL A 47 -3.291 9.783 6.325 1.00 0.00 C ATOM 723 O VAL A 47 -2.175 9.415 6.697 1.00 0.00 O ATOM 724 CB VAL A 47 -4.654 9.384 8.386 1.00 0.00 C ATOM 725 CG1 VAL A 47 -4.862 10.868 8.660 1.00 0.00 C ATOM 726 CG2 VAL A 47 -5.776 8.562 9.007 1.00 0.00 C ATOM 0 H VAL A 47 -3.915 7.138 7.163 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.427 9.538 6.377 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.714 9.080 8.846 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.932 11.033 9.735 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.020 11.433 8.260 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.783 11.201 8.181 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.829 8.768 10.076 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.724 8.828 8.539 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.579 7.501 8.851 1.00 0.00 H new ATOM 736 N CYS A 48 -3.475 10.765 5.442 1.00 0.00 N ATOM 737 CA CYS A 48 -2.349 11.486 4.847 1.00 0.00 C ATOM 738 C CYS A 48 -1.540 12.214 5.920 1.00 0.00 C ATOM 739 O CYS A 48 -2.110 12.848 6.811 1.00 0.00 O ATOM 740 CB CYS A 48 -2.855 12.489 3.804 1.00 0.00 C ATOM 741 SG CYS A 48 -1.541 13.440 2.971 1.00 0.00 S ATOM 0 H CYS A 48 -4.392 11.079 5.123 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.699 10.759 4.359 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.430 11.951 3.050 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.538 13.186 4.290 1.00 0.00 H new ATOM 746 N PRO A 49 -0.197 12.134 5.852 1.00 0.00 N ATOM 747 CA PRO A 49 0.685 12.789 6.820 1.00 0.00 C ATOM 748 C PRO A 49 0.965 14.259 6.483 1.00 0.00 C ATOM 749 O PRO A 49 1.946 14.833 6.962 1.00 0.00 O ATOM 750 CB PRO A 49 1.962 11.960 6.716 1.00 0.00 C ATOM 751 CG PRO A 49 2.003 11.504 5.295 1.00 0.00 C ATOM 752 CD PRO A 49 0.570 11.396 4.828 1.00 0.00 C ATOM 0 HA PRO A 49 0.247 12.823 7.817 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.841 12.554 6.967 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.942 11.114 7.403 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.558 12.211 4.678 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.510 10.543 5.212 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.439 11.834 3.839 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.249 10.356 4.762 1.00 0.00 H new ATOM 760 N SER A 50 0.102 14.865 5.664 1.00 0.00 N ATOM 761 CA SER A 50 0.260 16.262 5.275 1.00 0.00 C ATOM 762 C SER A 50 -1.041 17.032 5.485 1.00 0.00 C ATOM 763 O SER A 50 -1.079 18.001 6.246 1.00 0.00 O ATOM 764 CB SER A 50 0.707 16.363 3.814 1.00 0.00 C ATOM 765 OG SER A 50 2.107 16.571 3.724 1.00 0.00 O ATOM 0 H SER A 50 -0.714 14.406 5.259 1.00 0.00 H new ATOM 0 HA SER A 50 1.029 16.707 5.907 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.437 15.450 3.283 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.182 17.183 3.325 1.00 0.00 H new ATOM 0 HG SER A 50 2.297 17.215 3.010 1.00 0.00 H new ATOM 771 N CYS A 51 -2.108 16.595 4.813 1.00 0.00 N ATOM 772 CA CYS A 51 -3.411 17.248 4.939 1.00 0.00 C ATOM 773 C CYS A 51 -4.342 16.476 5.879 1.00 0.00 C ATOM 774 O CYS A 51 -5.342 17.022 6.352 1.00 0.00 O ATOM 775 CB CYS A 51 -4.067 17.411 3.563 1.00 0.00 C ATOM 776 SG CYS A 51 -4.616 15.851 2.797 1.00 0.00 S ATOM 0 H CYS A 51 -2.095 15.796 4.179 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.242 18.234 5.371 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.926 18.075 3.661 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.360 17.901 2.893 1.00 0.00 H new ATOM 781 N SER A 52 -4.013 15.207 6.147 1.00 0.00 N ATOM 782 CA SER A 52 -4.822 14.366 7.027 1.00 0.00 C ATOM 783 C SER A 52 -6.185 14.063 6.397 1.00 0.00 C ATOM 784 O SER A 52 -7.202 13.992 7.091 1.00 0.00 O ATOM 785 CB SER A 52 -5.003 15.038 8.392 1.00 0.00 C ATOM 786 OG SER A 52 -5.059 14.077 9.431 1.00 0.00 O ATOM 0 H SER A 52 -3.190 14.742 5.764 1.00 0.00 H new ATOM 0 HA SER A 52 -4.296 13.422 7.169 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.178 15.727 8.574 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.918 15.630 8.391 1.00 0.00 H new ATOM 0 HG SER A 52 -5.173 14.532 10.291 1.00 0.00 H new ATOM 792 N LEU A 53 -6.196 13.883 5.076 1.00 0.00 N ATOM 793 CA LEU A 53 -7.425 13.585 4.349 1.00 0.00 C ATOM 794 C LEU A 53 -7.709 12.086 4.363 1.00 0.00 C ATOM 795 O LEU A 53 -6.816 11.274 4.110 1.00 0.00 O ATOM 796 CB LEU A 53 -7.322 14.091 2.907 1.00 0.00 C ATOM 797 CG LEU A 53 -8.551 13.828 2.033 1.00 0.00 C ATOM 798 CD1 LEU A 53 -9.588 14.924 2.225 1.00 0.00 C ATOM 799 CD2 LEU A 53 -8.146 13.719 0.571 1.00 0.00 C ATOM 0 H LEU A 53 -5.364 13.939 4.488 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.251 14.096 4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.135 15.165 2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.456 13.626 2.437 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.998 12.882 2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.454 14.720 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.897 14.953 3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.157 15.886 1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.030 13.532 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.676 14.650 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.441 12.897 0.449 1.00 0.00 H new ATOM 811 N MET A 54 -8.956 11.726 4.662 1.00 0.00 N ATOM 812 CA MET A 54 -9.355 10.324 4.713 1.00 0.00 C ATOM 813 C MET A 54 -9.661 9.795 3.316 1.00 0.00 C ATOM 814 O MET A 54 -10.520 10.331 2.611 1.00 0.00 O ATOM 815 CB MET A 54 -10.580 10.143 5.613 1.00 0.00 C ATOM 816 CG MET A 54 -10.246 10.055 7.094 1.00 0.00 C ATOM 817 SD MET A 54 -11.651 9.518 8.088 1.00 0.00 S ATOM 818 CE MET A 54 -10.829 9.020 9.598 1.00 0.00 C ATOM 0 H MET A 54 -9.705 12.386 4.872 1.00 0.00 H new ATOM 0 HA MET A 54 -8.523 9.756 5.129 1.00 0.00 H new ATOM 0 HB2 MET A 54 -11.263 10.977 5.453 1.00 0.00 H new ATOM 0 HB3 MET A 54 -11.108 9.237 5.315 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.418 9.360 7.236 1.00 0.00 H new ATOM 0 HG3 MET A 54 -9.908 11.030 7.445 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.569 8.662 10.314 1.00 0.00 H new ATOM 0 HE2 MET A 54 -10.120 8.222 9.380 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.297 9.872 10.021 1.00 0.00 H new ATOM 828 N ILE A 55 -8.952 8.739 2.924 1.00 0.00 N ATOM 829 CA ILE A 55 -9.143 8.128 1.612 1.00 0.00 C ATOM 830 C ILE A 55 -9.291 6.614 1.730 1.00 0.00 C ATOM 831 O ILE A 55 -8.639 5.980 2.564 1.00 0.00 O ATOM 832 CB ILE A 55 -7.971 8.449 0.658 1.00 0.00 C ATOM 833 CG1 ILE A 55 -6.639 7.978 1.257 1.00 0.00 C ATOM 834 CG2 ILE A 55 -7.924 9.939 0.349 1.00 0.00 C ATOM 835 CD1 ILE A 55 -6.274 6.557 0.882 1.00 0.00 C ATOM 0 H ILE A 55 -8.239 8.288 3.498 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.058 8.551 1.198 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.134 7.911 -0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.845 8.647 0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.691 8.056 2.343 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.092 10.145 -0.324 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.858 10.242 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.789 10.498 1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.321 6.293 1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.048 5.877 1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.189 6.477 -0.202 1.00 0.00 H new ATOM 847 N ASP A 56 -10.153 6.043 0.892 1.00 0.00 N ATOM 848 CA ASP A 56 -10.397 4.604 0.901 1.00 0.00 C ATOM 849 C ASP A 56 -9.811 3.952 -0.347 1.00 0.00 C ATOM 850 O ASP A 56 -10.467 3.875 -1.388 1.00 0.00 O ATOM 851 CB ASP A 56 -11.900 4.316 0.990 1.00 0.00 C ATOM 852 CG ASP A 56 -12.564 5.029 2.155 1.00 0.00 C ATOM 853 OD1 ASP A 56 -12.508 6.276 2.201 1.00 0.00 O ATOM 854 OD2 ASP A 56 -13.140 4.341 3.024 1.00 0.00 O ATOM 0 H ASP A 56 -10.695 6.557 0.197 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.906 4.180 1.777 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.380 4.622 0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.055 3.242 1.090 1.00 0.00 H new ATOM 859 N VAL A 57 -8.568 3.489 -0.237 1.00 0.00 N ATOM 860 CA VAL A 57 -7.889 2.846 -1.357 1.00 0.00 C ATOM 861 C VAL A 57 -8.221 1.355 -1.416 1.00 0.00 C ATOM 862 O VAL A 57 -8.120 0.643 -0.413 1.00 0.00 O ATOM 863 CB VAL A 57 -6.357 3.039 -1.280 1.00 0.00 C ATOM 864 CG1 VAL A 57 -5.786 2.391 -0.026 1.00 0.00 C ATOM 865 CG2 VAL A 57 -5.683 2.490 -2.531 1.00 0.00 C ATOM 0 H VAL A 57 -8.012 3.547 0.616 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.249 3.325 -2.267 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.153 4.108 -1.224 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.707 2.542 0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.239 2.844 0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.003 1.323 -0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.605 2.635 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.900 1.426 -2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.061 3.015 -3.408 1.00 0.00 H new ATOM 875 N VAL A 58 -8.618 0.891 -2.598 1.00 0.00 N ATOM 876 CA VAL A 58 -8.967 -0.511 -2.797 1.00 0.00 C ATOM 877 C VAL A 58 -7.770 -1.308 -3.310 1.00 0.00 C ATOM 878 O VAL A 58 -6.949 -0.793 -4.074 1.00 0.00 O ATOM 879 CB VAL A 58 -10.148 -0.660 -3.783 1.00 0.00 C ATOM 880 CG1 VAL A 58 -9.776 -0.132 -5.163 1.00 0.00 C ATOM 881 CG2 VAL A 58 -10.601 -2.112 -3.868 1.00 0.00 C ATOM 0 H VAL A 58 -8.706 1.468 -3.434 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.267 -0.908 -1.827 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.979 -0.064 -3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.624 -0.248 -5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.513 0.923 -5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.925 -0.693 -5.550 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -11.433 -2.193 -4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.774 -2.732 -4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.921 -2.452 -2.883 1.00 0.00 H new ATOM 891 N PHE A 59 -7.679 -2.567 -2.887 1.00 0.00 N ATOM 892 CA PHE A 59 -6.585 -3.436 -3.305 1.00 0.00 C ATOM 893 C PHE A 59 -7.107 -4.793 -3.773 1.00 0.00 C ATOM 894 O PHE A 59 -8.101 -5.302 -3.251 1.00 0.00 O ATOM 895 CB PHE A 59 -5.582 -3.627 -2.161 1.00 0.00 C ATOM 896 CG PHE A 59 -6.169 -4.260 -0.925 1.00 0.00 C ATOM 897 CD1 PHE A 59 -6.432 -5.622 -0.881 1.00 0.00 C ATOM 898 CD2 PHE A 59 -6.458 -3.491 0.192 1.00 0.00 C ATOM 899 CE1 PHE A 59 -6.971 -6.202 0.252 1.00 0.00 C ATOM 900 CE2 PHE A 59 -6.996 -4.066 1.327 1.00 0.00 C ATOM 901 CZ PHE A 59 -7.253 -5.423 1.358 1.00 0.00 C ATOM 0 H PHE A 59 -8.349 -3.006 -2.256 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.080 -2.955 -4.143 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.757 -4.245 -2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.162 -2.657 -1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.213 -6.236 -1.742 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.260 -2.429 0.174 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.172 -7.263 0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.216 -3.455 2.190 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.673 -5.874 2.245 1.00 0.00 H new ATOM 911 N ASP A 60 -6.419 -5.375 -4.752 1.00 0.00 N ATOM 912 CA ASP A 60 -6.796 -6.680 -5.289 1.00 0.00 C ATOM 913 C ASP A 60 -6.118 -7.814 -4.514 1.00 0.00 C ATOM 914 O ASP A 60 -6.555 -8.963 -4.578 1.00 0.00 O ATOM 915 CB ASP A 60 -6.427 -6.770 -6.774 1.00 0.00 C ATOM 916 CG ASP A 60 -7.459 -7.532 -7.584 1.00 0.00 C ATOM 917 OD1 ASP A 60 -7.637 -8.743 -7.334 1.00 0.00 O ATOM 918 OD2 ASP A 60 -8.088 -6.918 -8.470 1.00 0.00 O ATOM 0 H ASP A 60 -5.596 -4.962 -5.191 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.875 -6.788 -5.180 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.321 -5.764 -7.180 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.458 -7.258 -6.875 1.00 0.00 H new ATOM 923 N LYS A 61 -5.043 -7.484 -3.786 1.00 0.00 N ATOM 924 CA LYS A 61 -4.300 -8.473 -3.005 1.00 0.00 C ATOM 925 C LYS A 61 -3.566 -9.459 -3.919 1.00 0.00 C ATOM 926 O LYS A 61 -3.288 -10.596 -3.529 1.00 0.00 O ATOM 927 CB LYS A 61 -5.244 -9.226 -2.061 1.00 0.00 C ATOM 928 CG LYS A 61 -4.588 -9.668 -0.763 1.00 0.00 C ATOM 929 CD LYS A 61 -5.535 -10.505 0.082 1.00 0.00 C ATOM 930 CE LYS A 61 -4.804 -11.186 1.229 1.00 0.00 C ATOM 931 NZ LYS A 61 -4.939 -10.429 2.505 1.00 0.00 N ATOM 0 H LYS A 61 -4.670 -6.537 -3.724 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.556 -7.943 -2.411 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.096 -8.587 -1.828 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.635 -10.103 -2.577 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.691 -10.245 -0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.271 -8.792 -0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.327 -9.870 0.480 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.014 -11.258 -0.544 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.197 -12.194 1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.748 -11.287 0.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.033 -10.443 3.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.205 -9.445 2.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.674 -10.870 3.094 1.00 0.00 H new ATOM 945 N GLU A 62 -3.246 -9.010 -5.136 1.00 0.00 N ATOM 946 CA GLU A 62 -2.539 -9.840 -6.106 1.00 0.00 C ATOM 947 C GLU A 62 -1.052 -9.491 -6.120 1.00 0.00 C ATOM 948 O GLU A 62 -0.207 -10.326 -5.793 1.00 0.00 O ATOM 949 CB GLU A 62 -3.140 -9.652 -7.502 1.00 0.00 C ATOM 950 CG GLU A 62 -2.692 -10.703 -8.508 1.00 0.00 C ATOM 951 CD GLU A 62 -3.818 -11.176 -9.411 1.00 0.00 C ATOM 952 OE1 GLU A 62 -4.598 -10.325 -9.892 1.00 0.00 O ATOM 953 OE2 GLU A 62 -3.917 -12.400 -9.640 1.00 0.00 O ATOM 0 H GLU A 62 -3.468 -8.072 -5.470 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.649 -10.885 -5.815 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.227 -9.675 -7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.867 -8.665 -7.875 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.890 -10.293 -9.121 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.279 -11.558 -7.973 1.00 0.00 H new ATOM 960 N ASP A 63 -0.746 -8.245 -6.489 1.00 0.00 N ATOM 961 CA ASP A 63 0.636 -7.768 -6.533 1.00 0.00 C ATOM 962 C ASP A 63 1.274 -7.812 -5.146 1.00 0.00 C ATOM 963 O ASP A 63 2.493 -7.910 -5.024 1.00 0.00 O ATOM 964 CB ASP A 63 0.694 -6.339 -7.084 1.00 0.00 C ATOM 965 CG ASP A 63 0.610 -6.287 -8.600 1.00 0.00 C ATOM 966 OD1 ASP A 63 -0.251 -6.987 -9.175 1.00 0.00 O ATOM 967 OD2 ASP A 63 1.402 -5.541 -9.211 1.00 0.00 O ATOM 0 H ASP A 63 -1.439 -7.548 -6.762 1.00 0.00 H new ATOM 0 HA ASP A 63 1.196 -8.429 -7.195 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.124 -5.758 -6.659 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.622 -5.867 -6.760 1.00 0.00 H new ATOM 972 N LEU A 64 0.445 -7.743 -4.102 1.00 0.00 N ATOM 973 CA LEU A 64 0.935 -7.782 -2.727 1.00 0.00 C ATOM 974 C LEU A 64 1.819 -9.009 -2.493 1.00 0.00 C ATOM 975 O LEU A 64 2.824 -8.927 -1.790 1.00 0.00 O ATOM 976 CB LEU A 64 -0.235 -7.788 -1.741 1.00 0.00 C ATOM 977 CG LEU A 64 -0.133 -6.760 -0.613 1.00 0.00 C ATOM 978 CD1 LEU A 64 -1.515 -6.273 -0.209 1.00 0.00 C ATOM 979 CD2 LEU A 64 0.599 -7.356 0.580 1.00 0.00 C ATOM 0 H LEU A 64 -0.568 -7.660 -4.185 1.00 0.00 H new ATOM 0 HA LEU A 64 1.535 -6.887 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.157 -7.609 -2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.315 -8.782 -1.301 1.00 0.00 H new ATOM 0 HG LEU A 64 0.437 -5.903 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.423 -5.542 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.003 -5.810 -1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.112 -7.117 0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.664 -6.613 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.055 -8.228 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.603 -7.654 0.279 1.00 0.00 H new ATOM 991 N ALA A 65 1.439 -10.140 -3.091 1.00 0.00 N ATOM 992 CA ALA A 65 2.201 -11.380 -2.950 1.00 0.00 C ATOM 993 C ALA A 65 3.238 -11.526 -4.066 1.00 0.00 C ATOM 994 O ALA A 65 4.346 -12.011 -3.832 1.00 0.00 O ATOM 995 CB ALA A 65 1.263 -12.579 -2.937 1.00 0.00 C ATOM 0 H ALA A 65 0.608 -10.222 -3.677 1.00 0.00 H new ATOM 0 HA ALA A 65 2.735 -11.339 -2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.845 -13.495 -2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.571 -12.490 -2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.701 -12.612 -3.870 1.00 0.00 H new ATOM 1001 N GLU A 66 2.872 -11.106 -5.279 1.00 0.00 N ATOM 1002 CA GLU A 66 3.771 -11.192 -6.430 1.00 0.00 C ATOM 1003 C GLU A 66 4.979 -10.270 -6.261 1.00 0.00 C ATOM 1004 O GLU A 66 6.111 -10.658 -6.557 1.00 0.00 O ATOM 1005 CB GLU A 66 3.021 -10.838 -7.716 1.00 0.00 C ATOM 1006 CG GLU A 66 3.697 -11.358 -8.976 1.00 0.00 C ATOM 1007 CD GLU A 66 2.768 -11.392 -10.176 1.00 0.00 C ATOM 1008 OE1 GLU A 66 1.616 -11.854 -10.028 1.00 0.00 O ATOM 1009 OE2 GLU A 66 3.196 -10.961 -11.268 1.00 0.00 O ATOM 0 H GLU A 66 1.959 -10.703 -5.489 1.00 0.00 H new ATOM 0 HA GLU A 66 4.132 -12.218 -6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.011 -11.244 -7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.926 -9.754 -7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.557 -10.729 -9.207 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.078 -12.362 -8.790 1.00 0.00 H new ATOM 1016 N TYR A 67 4.730 -9.052 -5.780 1.00 0.00 N ATOM 1017 CA TYR A 67 5.793 -8.070 -5.566 1.00 0.00 C ATOM 1018 C TYR A 67 6.862 -8.606 -4.614 1.00 0.00 C ATOM 1019 O TYR A 67 8.035 -8.249 -4.732 1.00 0.00 O ATOM 1020 CB TYR A 67 5.207 -6.771 -5.010 1.00 0.00 C ATOM 1021 CG TYR A 67 6.114 -5.571 -5.170 1.00 0.00 C ATOM 1022 CD1 TYR A 67 7.036 -5.234 -4.185 1.00 0.00 C ATOM 1023 CD2 TYR A 67 6.044 -4.770 -6.303 1.00 0.00 C ATOM 1024 CE1 TYR A 67 7.861 -4.134 -4.326 1.00 0.00 C ATOM 1025 CE2 TYR A 67 6.865 -3.669 -6.450 1.00 0.00 C ATOM 1026 CZ TYR A 67 7.770 -3.355 -5.460 1.00 0.00 C ATOM 1027 OH TYR A 67 8.588 -2.259 -5.604 1.00 0.00 O ATOM 0 H TYR A 67 3.798 -8.721 -5.530 1.00 0.00 H new ATOM 0 HA TYR A 67 6.263 -7.872 -6.529 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.260 -6.568 -5.510 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.985 -6.908 -3.952 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.109 -5.842 -3.295 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.336 -5.012 -7.082 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.573 -3.886 -3.552 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.798 -3.057 -7.337 1.00 0.00 H new ATOM 0 HH TYR A 67 8.398 -1.819 -6.459 1.00 0.00 H new ATOM 1037 N TYR A 68 6.455 -9.465 -3.676 1.00 0.00 N ATOM 1038 CA TYR A 68 7.390 -10.046 -2.715 1.00 0.00 C ATOM 1039 C TYR A 68 8.501 -10.809 -3.435 1.00 0.00 C ATOM 1040 O TYR A 68 9.650 -10.808 -2.993 1.00 0.00 O ATOM 1041 CB TYR A 68 6.661 -10.976 -1.743 1.00 0.00 C ATOM 1042 CG TYR A 68 6.161 -10.283 -0.492 1.00 0.00 C ATOM 1043 CD1 TYR A 68 5.389 -9.130 -0.574 1.00 0.00 C ATOM 1044 CD2 TYR A 68 6.461 -10.782 0.770 1.00 0.00 C ATOM 1045 CE1 TYR A 68 4.931 -8.494 0.564 1.00 0.00 C ATOM 1046 CE2 TYR A 68 6.006 -10.151 1.913 1.00 0.00 C ATOM 1047 CZ TYR A 68 5.241 -9.009 1.805 1.00 0.00 C ATOM 1048 OH TYR A 68 4.787 -8.378 2.941 1.00 0.00 O ATOM 0 H TYR A 68 5.489 -9.771 -3.563 1.00 0.00 H new ATOM 0 HA TYR A 68 7.838 -9.230 -2.147 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.815 -11.432 -2.257 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.333 -11.784 -1.455 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.143 -8.724 -1.544 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.059 -11.677 0.859 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.333 -7.598 0.482 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.249 -10.551 2.886 1.00 0.00 H new ATOM 0 HH TYR A 68 5.092 -8.869 3.732 1.00 0.00 H new ATOM 1058 N GLU A 69 8.150 -11.449 -4.551 1.00 0.00 N ATOM 1059 CA GLU A 69 9.119 -12.204 -5.340 1.00 0.00 C ATOM 1060 C GLU A 69 9.914 -11.277 -6.259 1.00 0.00 C ATOM 1061 O GLU A 69 11.085 -11.531 -6.545 1.00 0.00 O ATOM 1062 CB GLU A 69 8.412 -13.280 -6.168 1.00 0.00 C ATOM 1063 CG GLU A 69 8.090 -14.542 -5.379 1.00 0.00 C ATOM 1064 CD GLU A 69 7.033 -15.400 -6.050 1.00 0.00 C ATOM 1065 OE1 GLU A 69 5.910 -14.898 -6.270 1.00 0.00 O ATOM 1066 OE2 GLU A 69 7.329 -16.575 -6.354 1.00 0.00 O ATOM 0 H GLU A 69 7.202 -11.459 -4.927 1.00 0.00 H new ATOM 0 HA GLU A 69 9.812 -12.686 -4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.487 -12.867 -6.571 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.041 -13.544 -7.019 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.000 -15.128 -5.252 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.747 -14.265 -4.382 1.00 0.00 H new ATOM 1073 N GLU A 70 9.272 -10.201 -6.719 1.00 0.00 N ATOM 1074 CA GLU A 70 9.922 -9.237 -7.604 1.00 0.00 C ATOM 1075 C GLU A 70 10.998 -8.446 -6.864 1.00 0.00 C ATOM 1076 O GLU A 70 12.137 -8.356 -7.322 1.00 0.00 O ATOM 1077 CB GLU A 70 8.890 -8.274 -8.198 1.00 0.00 C ATOM 1078 CG GLU A 70 8.024 -8.895 -9.283 1.00 0.00 C ATOM 1079 CD GLU A 70 6.998 -7.923 -9.833 1.00 0.00 C ATOM 1080 OE1 GLU A 70 6.078 -7.539 -9.078 1.00 0.00 O ATOM 1081 OE2 GLU A 70 7.114 -7.544 -11.018 1.00 0.00 O ATOM 0 H GLU A 70 8.303 -9.977 -6.492 1.00 0.00 H new ATOM 0 HA GLU A 70 10.397 -9.796 -8.410 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.247 -7.907 -7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.409 -7.409 -8.611 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.660 -9.245 -10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.512 -9.769 -8.880 1.00 0.00 H new ATOM 1088 N ALA A 71 10.628 -7.871 -5.718 1.00 0.00 N ATOM 1089 CA ALA A 71 11.563 -7.085 -4.917 1.00 0.00 C ATOM 1090 C ALA A 71 12.603 -7.977 -4.241 1.00 0.00 C ATOM 1091 O ALA A 71 12.352 -9.157 -3.987 1.00 0.00 O ATOM 1092 CB ALA A 71 10.810 -6.263 -3.879 1.00 0.00 C ATOM 0 H ALA A 71 9.689 -7.936 -5.326 1.00 0.00 H new ATOM 0 HA ALA A 71 12.091 -6.407 -5.587 1.00 0.00 H new ATOM 0 HB1 ALA A 71 11.520 -5.683 -3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.118 -5.587 -4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.252 -6.930 -3.221 1.00 0.00 H new ATOM 1098 N GLY A 72 13.770 -7.401 -3.951 1.00 0.00 N ATOM 1099 CA GLY A 72 14.836 -8.152 -3.306 1.00 0.00 C ATOM 1100 C GLY A 72 14.974 -7.824 -1.829 1.00 0.00 C ATOM 1101 O GLY A 72 16.083 -7.819 -1.292 1.00 0.00 O ATOM 0 H GLY A 72 13.996 -6.427 -4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.644 -9.219 -3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 72 15.779 -7.942 -3.810 1.00 0.00 H new ATOM 1105 N ILE A 73 13.846 -7.552 -1.172 1.00 0.00 N ATOM 1106 CA ILE A 73 13.838 -7.222 0.251 1.00 0.00 C ATOM 1107 C ILE A 73 13.977 -8.481 1.109 1.00 0.00 C ATOM 1108 O ILE A 73 13.656 -9.583 0.662 1.00 0.00 O ATOM 1109 CB ILE A 73 12.542 -6.473 0.638 1.00 0.00 C ATOM 1110 CG1 ILE A 73 12.604 -5.994 2.091 1.00 0.00 C ATOM 1111 CG2 ILE A 73 11.324 -7.361 0.416 1.00 0.00 C ATOM 1112 CD1 ILE A 73 11.620 -4.889 2.410 1.00 0.00 C ATOM 0 H ILE A 73 12.923 -7.554 -1.606 1.00 0.00 H new ATOM 0 HA ILE A 73 14.693 -6.572 0.439 1.00 0.00 H new ATOM 0 HB ILE A 73 12.450 -5.597 -0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.414 -6.840 2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.613 -5.643 2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.421 -6.817 0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.267 -7.645 -0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.411 -8.257 1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 73 11.722 -4.602 3.456 1.00 0.00 H new ATOM 0 HD12 ILE A 73 11.823 -4.026 1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 73 10.605 -5.242 2.228 1.00 0.00 H new ATOM 1124 N HIS A 74 14.456 -8.307 2.342 1.00 0.00 N ATOM 1125 CA HIS A 74 14.635 -9.425 3.263 1.00 0.00 C ATOM 1126 C HIS A 74 13.499 -9.473 4.287 1.00 0.00 C ATOM 1127 O HIS A 74 13.560 -8.813 5.328 1.00 0.00 O ATOM 1128 CB HIS A 74 15.985 -9.311 3.976 1.00 0.00 C ATOM 1129 CG HIS A 74 16.387 -10.554 4.708 1.00 0.00 C ATOM 1130 ND1 HIS A 74 17.078 -11.589 4.114 1.00 0.00 N ATOM 1131 CD2 HIS A 74 16.192 -10.925 5.997 1.00 0.00 C ATOM 1132 CE1 HIS A 74 17.292 -12.542 5.005 1.00 0.00 C ATOM 1133 NE2 HIS A 74 16.764 -12.163 6.154 1.00 0.00 N ATOM 0 H HIS A 74 14.726 -7.401 2.724 1.00 0.00 H new ATOM 0 HA HIS A 74 14.616 -10.350 2.687 1.00 0.00 H new ATOM 0 HB2 HIS A 74 16.754 -9.067 3.243 1.00 0.00 H new ATOM 0 HB3 HIS A 74 15.944 -8.482 4.682 1.00 0.00 H new ATOM 0 HD2 HIS A 74 15.682 -10.353 6.758 1.00 0.00 H new ATOM 0 HE1 HIS A 74 17.810 -13.472 4.824 1.00 0.00 H new ATOM 0 HE2 HIS A 74 16.779 -12.703 7.019 1.00 0.00 H new ATOM 1142 N PRO A 75 12.441 -10.258 4.004 1.00 0.00 N ATOM 1143 CA PRO A 75 11.287 -10.389 4.903 1.00 0.00 C ATOM 1144 C PRO A 75 11.637 -11.118 6.202 1.00 0.00 C ATOM 1145 O PRO A 75 12.638 -11.834 6.273 1.00 0.00 O ATOM 1146 CB PRO A 75 10.284 -11.205 4.082 1.00 0.00 C ATOM 1147 CG PRO A 75 11.119 -11.968 3.114 1.00 0.00 C ATOM 1148 CD PRO A 75 12.284 -11.078 2.787 1.00 0.00 C ATOM 0 HA PRO A 75 10.907 -9.417 5.219 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.704 -11.874 4.717 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.574 -10.558 3.568 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.456 -12.910 3.546 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.551 -12.214 2.217 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.183 -11.656 2.573 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.085 -10.462 1.910 1.00 0.00 H new ATOM 1156 N PRO A 76 10.808 -10.943 7.250 1.00 0.00 N ATOM 1157 CA PRO A 76 11.027 -11.586 8.550 1.00 0.00 C ATOM 1158 C PRO A 76 10.787 -13.094 8.497 1.00 0.00 C ATOM 1159 O PRO A 76 10.252 -13.608 7.513 1.00 0.00 O ATOM 1160 CB PRO A 76 9.999 -10.910 9.459 1.00 0.00 C ATOM 1161 CG PRO A 76 8.914 -10.468 8.540 1.00 0.00 C ATOM 1162 CD PRO A 76 9.590 -10.109 7.245 1.00 0.00 C ATOM 0 HA PRO A 76 12.055 -11.474 8.893 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.622 -11.601 10.213 1.00 0.00 H new ATOM 0 HB3 PRO A 76 10.436 -10.065 9.991 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.181 -11.261 8.391 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.378 -9.612 8.951 1.00 0.00 H new ATOM 0 HD2 PRO A 76 8.956 -10.330 6.386 1.00 0.00 H new ATOM 0 HD3 PRO A 76 9.831 -9.047 7.199 1.00 0.00 H new ATOM 1170 N GLU A 77 11.189 -13.793 9.563 1.00 0.00 N ATOM 1171 CA GLU A 77 11.027 -15.247 9.654 1.00 0.00 C ATOM 1172 C GLU A 77 11.938 -15.971 8.657 1.00 0.00 C ATOM 1173 O GLU A 77 12.245 -15.446 7.585 1.00 0.00 O ATOM 1174 CB GLU A 77 9.567 -15.652 9.414 1.00 0.00 C ATOM 1175 CG GLU A 77 8.726 -15.692 10.679 1.00 0.00 C ATOM 1176 CD GLU A 77 7.644 -16.754 10.625 1.00 0.00 C ATOM 1177 OE1 GLU A 77 6.582 -16.490 10.023 1.00 0.00 O ATOM 1178 OE2 GLU A 77 7.861 -17.849 11.184 1.00 0.00 O ATOM 0 H GLU A 77 11.632 -13.372 10.380 1.00 0.00 H new ATOM 0 HA GLU A 77 11.313 -15.544 10.663 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.116 -14.951 8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.545 -16.635 8.943 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.373 -15.881 11.536 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.266 -14.717 10.836 1.00 0.00 H new ATOM 1185 N PRO A 78 12.382 -17.195 8.999 1.00 0.00 N ATOM 1186 CA PRO A 78 13.258 -17.992 8.131 1.00 0.00 C ATOM 1187 C PRO A 78 12.527 -18.539 6.905 1.00 0.00 C ATOM 1188 O PRO A 78 11.301 -18.665 6.908 1.00 0.00 O ATOM 1189 CB PRO A 78 13.710 -19.136 9.038 1.00 0.00 C ATOM 1190 CG PRO A 78 12.615 -19.280 10.038 1.00 0.00 C ATOM 1191 CD PRO A 78 12.064 -17.897 10.257 1.00 0.00 C ATOM 0 HA PRO A 78 14.079 -17.398 7.728 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.854 -20.057 8.473 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.660 -18.907 9.521 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.840 -19.955 9.673 1.00 0.00 H new ATOM 0 HG3 PRO A 78 12.992 -19.701 10.970 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.990 -17.918 10.444 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.528 -17.412 11.116 1.00 0.00 H new ATOM 1199 N ILE A 79 13.288 -18.860 5.861 1.00 0.00 N ATOM 1200 CA ILE A 79 12.715 -19.391 4.628 1.00 0.00 C ATOM 1201 C ILE A 79 13.147 -20.838 4.402 1.00 0.00 C ATOM 1202 O ILE A 79 14.312 -21.109 4.104 1.00 0.00 O ATOM 1203 CB ILE A 79 13.117 -18.539 3.404 1.00 0.00 C ATOM 1204 CG1 ILE A 79 12.839 -17.054 3.668 1.00 0.00 C ATOM 1205 CG2 ILE A 79 12.374 -19.008 2.159 1.00 0.00 C ATOM 1206 CD1 ILE A 79 13.946 -16.136 3.194 1.00 0.00 C ATOM 0 H ILE A 79 14.303 -18.761 5.845 1.00 0.00 H new ATOM 0 HA ILE A 79 11.631 -19.354 4.739 1.00 0.00 H new ATOM 0 HB ILE A 79 14.186 -18.664 3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 79 11.909 -16.774 3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 79 12.688 -16.906 4.737 1.00 0.00 H new ATOM 0 HG21 ILE A 79 12.670 -18.396 1.307 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.620 -20.051 1.960 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.300 -18.913 2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.680 -15.102 3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.874 -16.389 3.707 1.00 0.00 H new ATOM 0 HD13 ILE A 79 14.082 -16.255 2.119 1.00 0.00 H new ATOM 1218 N ALA A 80 12.198 -21.763 4.547 1.00 0.00 N ATOM 1219 CA ALA A 80 12.475 -23.184 4.359 1.00 0.00 C ATOM 1220 C ALA A 80 12.084 -23.639 2.954 1.00 0.00 C ATOM 1221 O ALA A 80 10.952 -23.426 2.516 1.00 0.00 O ATOM 1222 CB ALA A 80 11.740 -24.008 5.408 1.00 0.00 C ATOM 0 H ALA A 80 11.231 -21.552 4.794 1.00 0.00 H new ATOM 0 HA ALA A 80 13.547 -23.339 4.477 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.955 -25.066 5.256 1.00 0.00 H new ATOM 0 HB2 ALA A 80 12.071 -23.709 6.403 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.667 -23.839 5.317 1.00 0.00 H new ATOM 1228 N ALA A 81 13.028 -24.268 2.254 1.00 0.00 N ATOM 1229 CA ALA A 81 12.786 -24.757 0.899 1.00 0.00 C ATOM 1230 C ALA A 81 12.606 -26.273 0.887 1.00 0.00 C ATOM 1231 O ALA A 81 13.563 -27.022 1.095 1.00 0.00 O ATOM 1232 CB ALA A 81 13.928 -24.350 -0.024 1.00 0.00 C ATOM 0 H ALA A 81 13.968 -24.451 2.605 1.00 0.00 H new ATOM 0 HA ALA A 81 11.863 -24.304 0.536 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.733 -24.722 -1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 81 14.007 -23.263 -0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 81 14.862 -24.774 0.345 1.00 0.00 H new ATOM 1238 N ALA A 82 11.374 -26.719 0.643 1.00 0.00 N ATOM 1239 CA ALA A 82 11.065 -28.146 0.604 1.00 0.00 C ATOM 1240 C ALA A 82 10.033 -28.455 -0.478 1.00 0.00 C ATOM 1241 O ALA A 82 9.011 -27.774 -0.583 1.00 0.00 O ATOM 1242 CB ALA A 82 10.565 -28.619 1.962 1.00 0.00 C ATOM 0 H ALA A 82 10.574 -26.111 0.469 1.00 0.00 H new ATOM 0 HA ALA A 82 11.982 -28.683 0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.339 -29.684 1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.334 -28.443 2.714 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.663 -28.068 2.230 1.00 0.00 H new ATOM 1248 N ALA A 83 10.307 -29.484 -1.278 1.00 0.00 N ATOM 1249 CA ALA A 83 9.401 -29.887 -2.351 1.00 0.00 C ATOM 1250 C ALA A 83 9.493 -31.387 -2.614 1.00 0.00 C ATOM 1251 O ALA A 83 10.529 -32.008 -2.375 1.00 0.00 O ATOM 1252 CB ALA A 83 9.706 -29.105 -3.622 1.00 0.00 C ATOM 0 H ALA A 83 11.150 -30.054 -1.203 1.00 0.00 H new ATOM 0 HA ALA A 83 8.382 -29.663 -2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 83 9.023 -29.416 -4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.581 -28.039 -3.432 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.733 -29.300 -3.932 1.00 0.00 H new TER 1258 ALA A 83 HETATM 1259 ZN ZN A 84 -2.793 14.903 1.541 1.00 0.00 ZN