USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 472 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+ -114:sc= 0.104 (180deg=-0.0806) USER MOD Single : A 9 ASN : amide:sc= -4.09! C(o=-4.1!,f=-8.6!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.026) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 17 SER OG : rot -170:sc= -0.419 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -12:sc= 0.482! USER MOD Single : A 27 SER OG : rot 60:sc= -0.362 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 75:sc= -0.0404 USER MOD Single : A 46 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.093) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= -0.161 (180deg=-0.799) USER MOD Single : A 57 LYS NZ :NH3+ -130:sc= -0.869! (180deg=-2.25!) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -0.963 F(o=-4.1!,f=-0.96) USER MOD Single : A 60 HIS : no HE2:sc= 1.02 K(o=1,f=-4.1!) USER MOD Single : A 61 HIS :FLIP no HD1:sc= -0.367 F(o=-1,f=-0.37) USER MOD Single : A 62 HIS : no HD1:sc= -0.195 X(o=-0.19,f=-0.42) USER MOD Single : A 63 HIS : no HD1:sc= -0.325 K(o=-0.33,f=-1.7) USER MOD Single : A 64 HIS : no HE2:sc= -1.21! C(o=-1.2!,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 77.499 8.424 0.667 1.00 1.00 N ATOM 2 CA MET A 1 77.389 7.855 2.040 1.00 1.00 C ATOM 3 C MET A 1 77.013 6.381 1.948 1.00 1.00 C ATOM 4 O MET A 1 76.536 5.916 0.913 1.00 1.00 O ATOM 5 CB MET A 1 76.320 8.620 2.823 1.00 1.00 C ATOM 6 CG MET A 1 76.873 9.982 3.246 1.00 1.00 C ATOM 7 SD MET A 1 77.355 9.922 4.990 1.00 1.00 S ATOM 8 CE MET A 1 76.207 11.189 5.586 1.00 1.00 C ATOM 0 H1 MET A 1 78.486 8.692 0.480 1.00 1.00 H new ATOM 0 H2 MET A 1 77.195 7.713 -0.029 1.00 1.00 H new ATOM 0 H3 MET A 1 76.892 9.265 0.590 1.00 1.00 H new ATOM 0 HA MET A 1 78.345 7.949 2.555 1.00 1.00 H new ATOM 0 HB2 MET A 1 75.429 8.752 2.209 1.00 1.00 H new ATOM 0 HB3 MET A 1 76.019 8.049 3.702 1.00 1.00 H new ATOM 0 HG2 MET A 1 77.732 10.245 2.629 1.00 1.00 H new ATOM 0 HG3 MET A 1 76.121 10.756 3.092 1.00 1.00 H new ATOM 0 HE1 MET A 1 76.334 11.319 6.661 1.00 1.00 H new ATOM 0 HE2 MET A 1 76.412 12.132 5.080 1.00 1.00 H new ATOM 0 HE3 MET A 1 75.183 10.880 5.377 1.00 1.00 H new ATOM 20 N GLU A 2 77.229 5.651 3.038 1.00 1.00 N ATOM 21 CA GLU A 2 76.907 4.228 3.068 1.00 1.00 C ATOM 22 C GLU A 2 76.512 3.798 4.477 1.00 1.00 C ATOM 23 O GLU A 2 76.924 2.740 4.952 1.00 1.00 O ATOM 24 CB GLU A 2 78.113 3.411 2.602 1.00 1.00 C ATOM 25 CG GLU A 2 77.637 2.061 2.061 1.00 1.00 C ATOM 26 CD GLU A 2 78.817 1.104 1.934 1.00 1.00 C ATOM 27 OE1 GLU A 2 79.639 1.086 2.835 1.00 1.00 O ATOM 28 OE2 GLU A 2 78.881 0.403 0.938 1.00 1.00 O ATOM 0 H GLU A 2 77.622 6.017 3.905 1.00 1.00 H new ATOM 0 HA GLU A 2 76.066 4.050 2.397 1.00 1.00 H new ATOM 0 HB2 GLU A 2 78.656 3.954 1.828 1.00 1.00 H new ATOM 0 HB3 GLU A 2 78.805 3.259 3.430 1.00 1.00 H new ATOM 0 HG2 GLU A 2 76.885 1.638 2.727 1.00 1.00 H new ATOM 0 HG3 GLU A 2 77.162 2.196 1.089 1.00 1.00 H new ATOM 35 N GLU A 3 75.712 4.626 5.141 1.00 1.00 N ATOM 36 CA GLU A 3 75.268 4.322 6.496 1.00 1.00 C ATOM 37 C GLU A 3 74.598 2.952 6.544 1.00 1.00 C ATOM 38 O GLU A 3 73.476 2.781 6.069 1.00 1.00 O ATOM 39 CB GLU A 3 74.283 5.390 6.976 1.00 1.00 C ATOM 40 CG GLU A 3 75.056 6.553 7.599 1.00 1.00 C ATOM 41 CD GLU A 3 74.097 7.679 7.968 1.00 1.00 C ATOM 42 OE1 GLU A 3 73.164 7.416 8.711 1.00 1.00 O ATOM 43 OE2 GLU A 3 74.307 8.787 7.503 1.00 1.00 O ATOM 0 H GLU A 3 75.360 5.507 4.766 1.00 1.00 H new ATOM 0 HA GLU A 3 76.140 4.312 7.150 1.00 1.00 H new ATOM 0 HB2 GLU A 3 73.680 5.746 6.140 1.00 1.00 H new ATOM 0 HB3 GLU A 3 73.595 4.964 7.706 1.00 1.00 H new ATOM 0 HG2 GLU A 3 75.588 6.212 8.487 1.00 1.00 H new ATOM 0 HG3 GLU A 3 75.806 6.919 6.898 1.00 1.00 H new ATOM 50 N GLY A 4 75.295 1.978 7.122 1.00 1.00 N ATOM 51 CA GLY A 4 74.758 0.627 7.227 1.00 1.00 C ATOM 52 C GLY A 4 74.187 0.374 8.618 1.00 1.00 C ATOM 53 O GLY A 4 73.941 -0.770 9.001 1.00 1.00 O ATOM 0 H GLY A 4 76.226 2.098 7.522 1.00 1.00 H new ATOM 0 HA2 GLY A 4 73.979 0.482 6.478 1.00 1.00 H new ATOM 0 HA3 GLY A 4 75.544 -0.098 7.015 1.00 1.00 H new ATOM 57 N GLY A 5 73.979 1.449 9.372 1.00 1.00 N ATOM 58 CA GLY A 5 73.437 1.331 10.720 1.00 1.00 C ATOM 59 C GLY A 5 72.070 0.655 10.701 1.00 1.00 C ATOM 60 O GLY A 5 71.960 -0.551 10.919 1.00 1.00 O ATOM 0 H GLY A 5 74.176 2.405 9.075 1.00 1.00 H new ATOM 0 HA2 GLY A 5 74.123 0.756 11.343 1.00 1.00 H new ATOM 0 HA3 GLY A 5 73.351 2.320 11.170 1.00 1.00 H new ATOM 64 N ASP A 6 71.030 1.441 10.440 1.00 1.00 N ATOM 65 CA ASP A 6 69.675 0.909 10.396 1.00 1.00 C ATOM 66 C ASP A 6 69.478 0.037 9.160 1.00 1.00 C ATOM 67 O ASP A 6 68.429 0.083 8.517 1.00 1.00 O ATOM 68 CB ASP A 6 68.664 2.058 10.379 1.00 1.00 C ATOM 69 CG ASP A 6 67.267 1.527 10.675 1.00 1.00 C ATOM 70 OD1 ASP A 6 67.151 0.345 10.956 1.00 1.00 O ATOM 71 OD2 ASP A 6 66.332 2.309 10.617 1.00 1.00 O ATOM 0 H ASP A 6 71.100 2.442 10.257 1.00 1.00 H new ATOM 0 HA ASP A 6 69.517 0.298 11.284 1.00 1.00 H new ATOM 0 HB2 ASP A 6 68.941 2.808 11.119 1.00 1.00 H new ATOM 0 HB3 ASP A 6 68.677 2.550 9.406 1.00 1.00 H new ATOM 76 N PHE A 7 70.492 -0.758 8.834 1.00 1.00 N ATOM 77 CA PHE A 7 70.417 -1.637 7.672 1.00 1.00 C ATOM 78 C PHE A 7 70.141 -0.830 6.408 1.00 1.00 C ATOM 79 O PHE A 7 69.539 -1.333 5.459 1.00 1.00 O ATOM 80 CB PHE A 7 69.309 -2.673 7.872 1.00 1.00 C ATOM 81 CG PHE A 7 69.159 -2.972 9.344 1.00 1.00 C ATOM 82 CD1 PHE A 7 70.294 -3.194 10.133 1.00 1.00 C ATOM 83 CD2 PHE A 7 67.884 -3.027 9.920 1.00 1.00 C ATOM 84 CE1 PHE A 7 70.153 -3.472 11.498 1.00 1.00 C ATOM 85 CE2 PHE A 7 67.744 -3.304 11.286 1.00 1.00 C ATOM 86 CZ PHE A 7 68.879 -3.526 12.074 1.00 1.00 C ATOM 0 H PHE A 7 71.368 -0.812 9.353 1.00 1.00 H new ATOM 0 HA PHE A 7 71.374 -2.147 7.562 1.00 1.00 H new ATOM 0 HB2 PHE A 7 68.369 -2.298 7.469 1.00 1.00 H new ATOM 0 HB3 PHE A 7 69.548 -3.586 7.327 1.00 1.00 H new ATOM 0 HD1 PHE A 7 71.278 -3.151 9.689 1.00 1.00 H new ATOM 0 HD2 PHE A 7 67.009 -2.856 9.311 1.00 1.00 H new ATOM 0 HE1 PHE A 7 71.028 -3.645 12.107 1.00 1.00 H new ATOM 0 HE2 PHE A 7 66.761 -3.346 11.731 1.00 1.00 H new ATOM 0 HZ PHE A 7 68.771 -3.739 13.127 1.00 1.00 H new ATOM 96 N ASP A 8 70.584 0.423 6.402 1.00 1.00 N ATOM 97 CA ASP A 8 70.378 1.289 5.247 1.00 1.00 C ATOM 98 C ASP A 8 68.967 1.115 4.691 1.00 1.00 C ATOM 99 O ASP A 8 68.731 0.273 3.826 1.00 1.00 O ATOM 100 CB ASP A 8 71.401 0.962 4.159 1.00 1.00 C ATOM 101 CG ASP A 8 71.540 2.141 3.202 1.00 1.00 C ATOM 102 OD1 ASP A 8 70.594 2.903 3.091 1.00 1.00 O ATOM 103 OD2 ASP A 8 72.590 2.263 2.593 1.00 1.00 O ATOM 0 H ASP A 8 71.084 0.859 7.177 1.00 1.00 H new ATOM 0 HA ASP A 8 70.506 2.324 5.566 1.00 1.00 H new ATOM 0 HB2 ASP A 8 72.366 0.735 4.612 1.00 1.00 H new ATOM 0 HB3 ASP A 8 71.089 0.073 3.611 1.00 1.00 H new ATOM 108 N ASN A 9 68.036 1.918 5.194 1.00 1.00 N ATOM 109 CA ASN A 9 66.651 1.844 4.740 1.00 1.00 C ATOM 110 C ASN A 9 66.544 2.266 3.278 1.00 1.00 C ATOM 111 O ASN A 9 66.035 1.518 2.442 1.00 1.00 O ATOM 112 CB ASN A 9 65.770 2.751 5.601 1.00 1.00 C ATOM 113 CG ASN A 9 66.505 4.051 5.909 1.00 1.00 C ATOM 114 OD1 ASN A 9 67.595 4.029 6.480 1.00 1.00 O ATOM 115 ND2 ASN A 9 65.968 5.191 5.564 1.00 1.00 N ATOM 0 H ASN A 9 68.212 2.622 5.910 1.00 1.00 H new ATOM 0 HA ASN A 9 66.311 0.813 4.835 1.00 1.00 H new ATOM 0 HB2 ASN A 9 64.837 2.966 5.081 1.00 1.00 H new ATOM 0 HB3 ASN A 9 65.508 2.243 6.529 1.00 1.00 H new ATOM 0 HD21 ASN A 9 66.452 6.065 5.768 1.00 1.00 H new ATOM 0 HD22 ASN A 9 65.065 5.207 5.091 1.00 1.00 H new ATOM 122 N TYR A 10 67.026 3.467 2.976 1.00 1.00 N ATOM 123 CA TYR A 10 66.978 3.977 1.612 1.00 1.00 C ATOM 124 C TYR A 10 67.657 3.005 0.652 1.00 1.00 C ATOM 125 O TYR A 10 67.053 2.556 -0.322 1.00 1.00 O ATOM 126 CB TYR A 10 67.673 5.338 1.538 1.00 1.00 C ATOM 127 CG TYR A 10 66.803 6.384 2.193 1.00 1.00 C ATOM 128 CD1 TYR A 10 65.821 7.047 1.446 1.00 1.00 C ATOM 129 CD2 TYR A 10 66.977 6.692 3.547 1.00 1.00 C ATOM 130 CE1 TYR A 10 65.014 8.016 2.053 1.00 1.00 C ATOM 131 CE2 TYR A 10 66.170 7.662 4.155 1.00 1.00 C ATOM 132 CZ TYR A 10 65.189 8.324 3.407 1.00 1.00 C ATOM 133 OH TYR A 10 64.394 9.279 4.006 1.00 1.00 O ATOM 0 H TYR A 10 67.451 4.101 3.652 1.00 1.00 H new ATOM 0 HA TYR A 10 65.933 4.086 1.322 1.00 1.00 H new ATOM 0 HB2 TYR A 10 68.641 5.291 2.036 1.00 1.00 H new ATOM 0 HB3 TYR A 10 67.862 5.606 0.498 1.00 1.00 H new ATOM 0 HD1 TYR A 10 65.686 6.810 0.401 1.00 1.00 H new ATOM 0 HD2 TYR A 10 67.734 6.181 4.124 1.00 1.00 H new ATOM 0 HE1 TYR A 10 64.256 8.526 1.477 1.00 1.00 H new ATOM 0 HE2 TYR A 10 66.304 7.899 5.200 1.00 1.00 H new ATOM 0 HH TYR A 10 64.646 9.370 4.949 1.00 1.00 H new ATOM 143 N TYR A 11 68.916 2.685 0.933 1.00 1.00 N ATOM 144 CA TYR A 11 69.667 1.765 0.088 1.00 1.00 C ATOM 145 C TYR A 11 69.454 2.097 -1.386 1.00 1.00 C ATOM 146 O TYR A 11 70.122 2.973 -1.937 1.00 1.00 O ATOM 147 CB TYR A 11 69.223 0.326 0.358 1.00 1.00 C ATOM 148 CG TYR A 11 69.922 -0.606 -0.602 1.00 1.00 C ATOM 149 CD1 TYR A 11 71.301 -0.818 -0.490 1.00 1.00 C ATOM 150 CD2 TYR A 11 69.193 -1.258 -1.604 1.00 1.00 C ATOM 151 CE1 TYR A 11 71.951 -1.682 -1.379 1.00 1.00 C ATOM 152 CE2 TYR A 11 69.843 -2.122 -2.493 1.00 1.00 C ATOM 153 CZ TYR A 11 71.222 -2.335 -2.381 1.00 1.00 C ATOM 154 OH TYR A 11 71.864 -3.186 -3.257 1.00 1.00 O ATOM 0 H TYR A 11 69.434 3.046 1.734 1.00 1.00 H new ATOM 0 HA TYR A 11 70.726 1.868 0.323 1.00 1.00 H new ATOM 0 HB2 TYR A 11 69.457 0.049 1.386 1.00 1.00 H new ATOM 0 HB3 TYR A 11 68.142 0.240 0.243 1.00 1.00 H new ATOM 0 HD1 TYR A 11 71.864 -0.315 0.282 1.00 1.00 H new ATOM 0 HD2 TYR A 11 68.129 -1.094 -1.691 1.00 1.00 H new ATOM 0 HE1 TYR A 11 73.015 -1.845 -1.292 1.00 1.00 H new ATOM 0 HE2 TYR A 11 69.280 -2.625 -3.266 1.00 1.00 H new ATOM 0 HH TYR A 11 71.213 -3.557 -3.889 1.00 1.00 H new ATOM 164 N GLY A 12 68.522 1.392 -2.017 1.00 1.00 N ATOM 165 CA GLY A 12 68.229 1.621 -3.427 1.00 1.00 C ATOM 166 C GLY A 12 67.726 3.042 -3.655 1.00 1.00 C ATOM 167 O GLY A 12 68.366 3.836 -4.344 1.00 1.00 O ATOM 0 H GLY A 12 67.960 0.662 -1.579 1.00 1.00 H new ATOM 0 HA2 GLY A 12 69.126 1.449 -4.021 1.00 1.00 H new ATOM 0 HA3 GLY A 12 67.479 0.907 -3.767 1.00 1.00 H new ATOM 171 N ALA A 13 66.574 3.356 -3.069 1.00 1.00 N ATOM 172 CA ALA A 13 65.993 4.687 -3.214 1.00 1.00 C ATOM 173 C ALA A 13 65.438 4.878 -4.621 1.00 1.00 C ATOM 174 O ALA A 13 64.331 5.386 -4.798 1.00 1.00 O ATOM 175 CB ALA A 13 67.054 5.753 -2.932 1.00 1.00 C ATOM 0 H ALA A 13 66.029 2.714 -2.494 1.00 1.00 H new ATOM 0 HA ALA A 13 65.178 4.788 -2.498 1.00 1.00 H new ATOM 0 HB1 ALA A 13 66.613 6.744 -3.042 1.00 1.00 H new ATOM 0 HB2 ALA A 13 67.428 5.634 -1.915 1.00 1.00 H new ATOM 0 HB3 ALA A 13 67.878 5.642 -3.637 1.00 1.00 H new ATOM 181 N ASP A 14 66.213 4.469 -5.619 1.00 1.00 N ATOM 182 CA ASP A 14 65.788 4.601 -7.008 1.00 1.00 C ATOM 183 C ASP A 14 64.471 3.865 -7.237 1.00 1.00 C ATOM 184 O ASP A 14 63.897 3.924 -8.325 1.00 1.00 O ATOM 185 CB ASP A 14 66.861 4.033 -7.940 1.00 1.00 C ATOM 186 CG ASP A 14 68.242 4.482 -7.477 1.00 1.00 C ATOM 187 OD1 ASP A 14 68.536 5.659 -7.605 1.00 1.00 O ATOM 188 OD2 ASP A 14 68.988 3.641 -7.000 1.00 1.00 O ATOM 0 H ASP A 14 67.133 4.046 -5.494 1.00 1.00 H new ATOM 0 HA ASP A 14 65.643 5.659 -7.225 1.00 1.00 H new ATOM 0 HB2 ASP A 14 66.807 2.944 -7.949 1.00 1.00 H new ATOM 0 HB3 ASP A 14 66.683 4.370 -8.961 1.00 1.00 H new ATOM 193 N ASN A 15 64.000 3.171 -6.207 1.00 1.00 N ATOM 194 CA ASN A 15 62.750 2.427 -6.307 1.00 1.00 C ATOM 195 C ASN A 15 61.556 3.360 -6.140 1.00 1.00 C ATOM 196 O ASN A 15 60.405 2.924 -6.172 1.00 1.00 O ATOM 197 CB ASN A 15 62.702 1.337 -5.234 1.00 1.00 C ATOM 198 CG ASN A 15 62.594 -0.035 -5.889 1.00 1.00 C ATOM 199 OD1 ASN A 15 61.745 -0.841 -5.505 1.00 1.00 O ATOM 200 ND2 ASN A 15 63.406 -0.352 -6.858 1.00 1.00 N ATOM 0 H ASN A 15 64.461 3.108 -5.299 1.00 1.00 H new ATOM 0 HA ASN A 15 62.702 1.967 -7.294 1.00 1.00 H new ATOM 0 HB2 ASN A 15 63.598 1.384 -4.616 1.00 1.00 H new ATOM 0 HB3 ASN A 15 61.850 1.502 -4.574 1.00 1.00 H new ATOM 0 HD21 ASN A 15 63.339 -1.269 -7.300 1.00 1.00 H new ATOM 0 HD22 ASN A 15 64.108 0.317 -7.174 1.00 1.00 H new ATOM 207 N GLN A 16 61.836 4.647 -5.963 1.00 1.00 N ATOM 208 CA GLN A 16 60.777 5.634 -5.792 1.00 1.00 C ATOM 209 C GLN A 16 61.103 6.909 -6.563 1.00 1.00 C ATOM 210 O GLN A 16 60.897 8.017 -6.065 1.00 1.00 O ATOM 211 CB GLN A 16 60.603 5.963 -4.308 1.00 1.00 C ATOM 212 CG GLN A 16 60.510 4.665 -3.504 1.00 1.00 C ATOM 213 CD GLN A 16 60.230 4.977 -2.039 1.00 1.00 C ATOM 214 OE1 GLN A 16 59.471 5.897 -1.734 1.00 1.00 O ATOM 215 NE2 GLN A 16 60.799 4.263 -1.108 1.00 1.00 N ATOM 0 H GLN A 16 62.781 5.029 -5.934 1.00 1.00 H new ATOM 0 HA GLN A 16 59.849 5.214 -6.182 1.00 1.00 H new ATOM 0 HB2 GLN A 16 61.444 6.561 -3.956 1.00 1.00 H new ATOM 0 HB3 GLN A 16 59.703 6.560 -4.160 1.00 1.00 H new ATOM 0 HG2 GLN A 16 59.718 4.034 -3.907 1.00 1.00 H new ATOM 0 HG3 GLN A 16 61.441 4.105 -3.593 1.00 1.00 H new ATOM 0 HE21 GLN A 16 61.428 3.501 -1.362 1.00 1.00 H new ATOM 0 HE22 GLN A 16 60.615 4.466 -0.125 1.00 1.00 H new ATOM 224 N SER A 17 61.611 6.746 -7.780 1.00 1.00 N ATOM 225 CA SER A 17 61.962 7.892 -8.611 1.00 1.00 C ATOM 226 C SER A 17 60.875 8.155 -9.648 1.00 1.00 C ATOM 227 O SER A 17 60.801 7.472 -10.670 1.00 1.00 O ATOM 228 CB SER A 17 63.292 7.636 -9.318 1.00 1.00 C ATOM 229 OG SER A 17 64.245 7.169 -8.371 1.00 1.00 O ATOM 0 H SER A 17 61.788 5.838 -8.211 1.00 1.00 H new ATOM 0 HA SER A 17 62.055 8.768 -7.969 1.00 1.00 H new ATOM 0 HB2 SER A 17 63.160 6.900 -10.111 1.00 1.00 H new ATOM 0 HB3 SER A 17 63.649 8.552 -9.789 1.00 1.00 H new ATOM 0 HG SER A 17 65.134 7.154 -8.782 1.00 1.00 H new ATOM 235 N GLU A 18 60.033 9.147 -9.377 1.00 1.00 N ATOM 236 CA GLU A 18 58.953 9.491 -10.295 1.00 1.00 C ATOM 237 C GLU A 18 58.266 8.231 -10.810 1.00 1.00 C ATOM 238 O GLU A 18 57.943 8.127 -11.993 1.00 1.00 O ATOM 239 CB GLU A 18 59.506 10.292 -11.475 1.00 1.00 C ATOM 240 CG GLU A 18 58.369 11.066 -12.145 1.00 1.00 C ATOM 241 CD GLU A 18 58.610 11.152 -13.647 1.00 1.00 C ATOM 242 OE1 GLU A 18 58.547 10.121 -14.297 1.00 1.00 O ATOM 243 OE2 GLU A 18 58.854 12.247 -14.127 1.00 1.00 O ATOM 0 H GLU A 18 60.077 9.723 -8.536 1.00 1.00 H new ATOM 0 HA GLU A 18 58.222 10.095 -9.757 1.00 1.00 H new ATOM 0 HB2 GLU A 18 60.276 10.982 -11.131 1.00 1.00 H new ATOM 0 HB3 GLU A 18 59.977 9.622 -12.194 1.00 1.00 H new ATOM 0 HG2 GLU A 18 57.417 10.572 -11.949 1.00 1.00 H new ATOM 0 HG3 GLU A 18 58.301 12.068 -11.721 1.00 1.00 H new ATOM 250 N CYS A 19 58.045 7.274 -9.914 1.00 1.00 N ATOM 251 CA CYS A 19 57.395 6.024 -10.289 1.00 1.00 C ATOM 252 C CYS A 19 55.880 6.151 -10.166 1.00 1.00 C ATOM 253 O CYS A 19 55.226 5.314 -9.544 1.00 1.00 O ATOM 254 CB CYS A 19 57.889 4.889 -9.390 1.00 1.00 C ATOM 255 SG CYS A 19 57.718 3.312 -10.263 1.00 1.00 S ATOM 0 H CYS A 19 58.305 7.339 -8.930 1.00 1.00 H new ATOM 0 HA CYS A 19 57.647 5.801 -11.326 1.00 1.00 H new ATOM 0 HB2 CYS A 19 58.931 5.055 -9.116 1.00 1.00 H new ATOM 0 HB3 CYS A 19 57.315 4.868 -8.463 1.00 1.00 H new ATOM 0 HG CYS A 19 58.139 2.346 -9.501 1.00 1.00 H new ATOM 261 N GLU A 20 55.329 7.202 -10.764 1.00 1.00 N ATOM 262 CA GLU A 20 53.889 7.427 -10.715 1.00 1.00 C ATOM 263 C GLU A 20 53.393 7.418 -9.273 1.00 1.00 C ATOM 264 O GLU A 20 52.564 6.590 -8.896 1.00 1.00 O ATOM 265 CB GLU A 20 53.162 6.341 -11.513 1.00 1.00 C ATOM 266 CG GLU A 20 53.279 6.642 -13.008 1.00 1.00 C ATOM 267 CD GLU A 20 52.310 7.754 -13.394 1.00 1.00 C ATOM 268 OE1 GLU A 20 51.147 7.452 -13.606 1.00 1.00 O ATOM 269 OE2 GLU A 20 52.745 8.891 -13.472 1.00 1.00 O ATOM 0 H GLU A 20 55.853 7.906 -11.284 1.00 1.00 H new ATOM 0 HA GLU A 20 53.679 8.402 -11.154 1.00 1.00 H new ATOM 0 HB2 GLU A 20 53.592 5.364 -11.293 1.00 1.00 H new ATOM 0 HB3 GLU A 20 52.113 6.301 -11.220 1.00 1.00 H new ATOM 0 HG2 GLU A 20 54.300 6.938 -13.249 1.00 1.00 H new ATOM 0 HG3 GLU A 20 53.063 5.744 -13.586 1.00 1.00 H new ATOM 276 N TYR A 21 53.908 8.345 -8.470 1.00 1.00 N ATOM 277 CA TYR A 21 53.510 8.433 -7.070 1.00 1.00 C ATOM 278 C TYR A 21 53.616 9.872 -6.573 1.00 1.00 C ATOM 279 O TYR A 21 53.745 10.117 -5.373 1.00 1.00 O ATOM 280 CB TYR A 21 54.400 7.530 -6.216 1.00 1.00 C ATOM 281 CG TYR A 21 55.609 8.306 -5.750 1.00 1.00 C ATOM 282 CD1 TYR A 21 56.369 9.035 -6.672 1.00 1.00 C ATOM 283 CD2 TYR A 21 55.969 8.298 -4.397 1.00 1.00 C ATOM 284 CE1 TYR A 21 57.490 9.755 -6.241 1.00 1.00 C ATOM 285 CE2 TYR A 21 57.090 9.018 -3.967 1.00 1.00 C ATOM 286 CZ TYR A 21 57.850 9.747 -4.889 1.00 1.00 C ATOM 287 OH TYR A 21 58.955 10.457 -4.465 1.00 1.00 O ATOM 0 H TYR A 21 54.596 9.040 -8.762 1.00 1.00 H new ATOM 0 HA TYR A 21 52.474 8.106 -6.985 1.00 1.00 H new ATOM 0 HB2 TYR A 21 53.841 7.158 -5.357 1.00 1.00 H new ATOM 0 HB3 TYR A 21 54.714 6.660 -6.793 1.00 1.00 H new ATOM 0 HD1 TYR A 21 56.091 9.042 -7.716 1.00 1.00 H new ATOM 0 HD2 TYR A 21 55.382 7.737 -3.685 1.00 1.00 H new ATOM 0 HE1 TYR A 21 58.077 10.317 -6.953 1.00 1.00 H new ATOM 0 HE2 TYR A 21 57.368 9.011 -2.924 1.00 1.00 H new ATOM 0 HH TYR A 21 59.064 10.346 -3.497 1.00 1.00 H new ATOM 297 N THR A 22 53.561 10.820 -7.503 1.00 1.00 N ATOM 298 CA THR A 22 53.652 12.231 -7.148 1.00 1.00 C ATOM 299 C THR A 22 53.248 13.108 -8.329 1.00 1.00 C ATOM 300 O THR A 22 52.656 14.173 -8.149 1.00 1.00 O ATOM 301 CB THR A 22 55.083 12.572 -6.724 1.00 1.00 C ATOM 302 OG1 THR A 22 55.119 13.894 -6.205 1.00 1.00 O ATOM 303 CG2 THR A 22 56.013 12.470 -7.932 1.00 1.00 C ATOM 0 H THR A 22 53.455 10.639 -8.501 1.00 1.00 H new ATOM 0 HA THR A 22 52.971 12.422 -6.318 1.00 1.00 H new ATOM 0 HB THR A 22 55.412 11.871 -5.956 1.00 1.00 H new ATOM 0 HG1 THR A 22 56.034 14.113 -5.932 1.00 1.00 H new ATOM 0 HG21 THR A 22 57.031 12.713 -7.629 1.00 1.00 H new ATOM 0 HG22 THR A 22 55.985 11.455 -8.328 1.00 1.00 H new ATOM 0 HG23 THR A 22 55.687 13.169 -8.702 1.00 1.00 H new ATOM 311 N ASP A 23 53.570 12.653 -9.535 1.00 1.00 N ATOM 312 CA ASP A 23 53.235 13.406 -10.738 1.00 1.00 C ATOM 313 C ASP A 23 51.731 13.646 -10.819 1.00 1.00 C ATOM 314 O ASP A 23 51.262 14.436 -11.638 1.00 1.00 O ATOM 315 CB ASP A 23 53.698 12.639 -11.979 1.00 1.00 C ATOM 316 CG ASP A 23 54.965 13.274 -12.542 1.00 1.00 C ATOM 317 OD1 ASP A 23 55.919 13.409 -11.792 1.00 1.00 O ATOM 318 OD2 ASP A 23 54.964 13.614 -13.713 1.00 1.00 O ATOM 0 H ASP A 23 54.059 11.774 -9.705 1.00 1.00 H new ATOM 0 HA ASP A 23 53.743 14.369 -10.694 1.00 1.00 H new ATOM 0 HB2 ASP A 23 53.887 11.596 -11.723 1.00 1.00 H new ATOM 0 HB3 ASP A 23 52.912 12.644 -12.734 1.00 1.00 H new ATOM 323 N TRP A 24 50.980 12.960 -9.964 1.00 1.00 N ATOM 324 CA TRP A 24 49.529 13.107 -9.947 1.00 1.00 C ATOM 325 C TRP A 24 48.982 12.876 -8.542 1.00 1.00 C ATOM 326 O TRP A 24 48.503 13.805 -7.892 1.00 1.00 O ATOM 327 CB TRP A 24 48.892 12.108 -10.916 1.00 1.00 C ATOM 328 CG TRP A 24 49.505 10.759 -10.714 1.00 1.00 C ATOM 329 CD1 TRP A 24 50.786 10.437 -11.004 1.00 1.00 C ATOM 330 CD2 TRP A 24 48.887 9.550 -10.188 1.00 1.00 C ATOM 331 NE1 TRP A 24 50.994 9.107 -10.689 1.00 1.00 N ATOM 332 CE2 TRP A 24 49.854 8.516 -10.182 1.00 1.00 C ATOM 333 CE3 TRP A 24 47.595 9.251 -9.718 1.00 1.00 C ATOM 334 CZ2 TRP A 24 49.549 7.232 -9.727 1.00 1.00 C ATOM 335 CZ3 TRP A 24 47.285 7.960 -9.259 1.00 1.00 C ATOM 336 CH2 TRP A 24 48.261 6.953 -9.264 1.00 1.00 C ATOM 0 H TRP A 24 51.349 12.301 -9.278 1.00 1.00 H new ATOM 0 HA TRP A 24 49.282 14.122 -10.257 1.00 1.00 H new ATOM 0 HB2 TRP A 24 47.816 12.059 -10.750 1.00 1.00 H new ATOM 0 HB3 TRP A 24 49.041 12.437 -11.944 1.00 1.00 H new ATOM 0 HD1 TRP A 24 51.525 11.109 -11.414 1.00 1.00 H new ATOM 0 HE1 TRP A 24 51.882 8.621 -10.816 1.00 1.00 H new ATOM 0 HE3 TRP A 24 46.836 10.019 -9.710 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 50.304 6.460 -9.733 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 46.290 7.742 -8.900 1.00 1.00 H new ATOM 0 HH2 TRP A 24 48.017 5.962 -8.910 1.00 1.00 H new ATOM 347 N LYS A 25 49.059 11.633 -8.081 1.00 1.00 N ATOM 348 CA LYS A 25 48.568 11.292 -6.750 1.00 1.00 C ATOM 349 C LYS A 25 47.240 11.989 -6.474 1.00 1.00 C ATOM 350 O LYS A 25 47.173 12.924 -5.677 1.00 1.00 O ATOM 351 CB LYS A 25 49.593 11.704 -5.692 1.00 1.00 C ATOM 352 CG LYS A 25 50.611 10.579 -5.501 1.00 1.00 C ATOM 353 CD LYS A 25 50.081 9.578 -4.473 1.00 1.00 C ATOM 354 CE LYS A 25 50.637 8.187 -4.779 1.00 1.00 C ATOM 355 NZ LYS A 25 50.149 7.220 -3.755 1.00 1.00 N ATOM 0 H LYS A 25 49.453 10.850 -8.603 1.00 1.00 H new ATOM 0 HA LYS A 25 48.415 10.214 -6.706 1.00 1.00 H new ATOM 0 HB2 LYS A 25 50.100 12.619 -5.999 1.00 1.00 H new ATOM 0 HB3 LYS A 25 49.091 11.918 -4.748 1.00 1.00 H new ATOM 0 HG2 LYS A 25 50.796 10.077 -6.451 1.00 1.00 H new ATOM 0 HG3 LYS A 25 51.564 10.990 -5.166 1.00 1.00 H new ATOM 0 HD2 LYS A 25 50.372 9.884 -3.468 1.00 1.00 H new ATOM 0 HD3 LYS A 25 48.991 9.559 -4.497 1.00 1.00 H new ATOM 0 HE2 LYS A 25 50.323 7.869 -5.773 1.00 1.00 H new ATOM 0 HE3 LYS A 25 51.727 8.212 -4.781 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 50.527 6.274 -3.963 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 50.469 7.521 -2.813 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 49.110 7.189 -3.774 1.00 1.00 H new ATOM 369 N SER A 26 46.185 11.526 -7.137 1.00 1.00 N ATOM 370 CA SER A 26 44.862 12.112 -6.954 1.00 1.00 C ATOM 371 C SER A 26 43.796 11.246 -7.616 1.00 1.00 C ATOM 372 O SER A 26 43.883 10.939 -8.805 1.00 1.00 O ATOM 373 CB SER A 26 44.827 13.518 -7.556 1.00 1.00 C ATOM 374 OG SER A 26 44.439 13.434 -8.920 1.00 1.00 O ATOM 0 H SER A 26 46.219 10.753 -7.801 1.00 1.00 H new ATOM 0 HA SER A 26 44.655 12.169 -5.885 1.00 1.00 H new ATOM 0 HB2 SER A 26 44.127 14.145 -7.004 1.00 1.00 H new ATOM 0 HB3 SER A 26 45.808 13.986 -7.473 1.00 1.00 H new ATOM 0 HG SER A 26 44.477 12.500 -9.214 1.00 1.00 H new ATOM 380 N SER A 27 42.790 10.858 -6.839 1.00 1.00 N ATOM 381 CA SER A 27 41.712 10.026 -7.361 1.00 1.00 C ATOM 382 C SER A 27 40.772 10.854 -8.233 1.00 1.00 C ATOM 383 O SER A 27 39.654 10.432 -8.530 1.00 1.00 O ATOM 384 CB SER A 27 40.925 9.406 -6.207 1.00 1.00 C ATOM 385 OG SER A 27 39.602 9.923 -6.209 1.00 1.00 O ATOM 0 H SER A 27 42.699 11.104 -5.853 1.00 1.00 H new ATOM 0 HA SER A 27 42.151 9.234 -7.968 1.00 1.00 H new ATOM 0 HB2 SER A 27 40.904 8.321 -6.308 1.00 1.00 H new ATOM 0 HB3 SER A 27 41.413 9.628 -5.258 1.00 1.00 H new ATOM 0 HG SER A 27 39.168 9.707 -7.060 1.00 1.00 H new ATOM 391 N GLY A 28 41.235 12.031 -8.640 1.00 1.00 N ATOM 392 CA GLY A 28 40.429 12.912 -9.479 1.00 1.00 C ATOM 393 C GLY A 28 40.476 14.348 -8.966 1.00 1.00 C ATOM 394 O GLY A 28 39.847 15.239 -9.536 1.00 1.00 O ATOM 0 H GLY A 28 42.158 12.396 -8.405 1.00 1.00 H new ATOM 0 HA2 GLY A 28 40.794 12.877 -10.506 1.00 1.00 H new ATOM 0 HA3 GLY A 28 39.397 12.561 -9.495 1.00 1.00 H new ATOM 398 N ALA A 29 41.223 14.560 -7.886 1.00 1.00 N ATOM 399 CA ALA A 29 41.349 15.890 -7.295 1.00 1.00 C ATOM 400 C ALA A 29 40.147 16.203 -6.408 1.00 1.00 C ATOM 401 O ALA A 29 39.506 17.244 -6.552 1.00 1.00 O ATOM 402 CB ALA A 29 41.475 16.946 -8.398 1.00 1.00 C ATOM 0 H ALA A 29 41.749 13.831 -7.403 1.00 1.00 H new ATOM 0 HA ALA A 29 42.248 15.908 -6.678 1.00 1.00 H new ATOM 0 HB1 ALA A 29 41.568 17.934 -7.947 1.00 1.00 H new ATOM 0 HB2 ALA A 29 42.358 16.738 -9.002 1.00 1.00 H new ATOM 0 HB3 ALA A 29 40.588 16.919 -9.031 1.00 1.00 H new ATOM 408 N LEU A 30 39.853 15.297 -5.479 1.00 1.00 N ATOM 409 CA LEU A 30 38.732 15.491 -4.566 1.00 1.00 C ATOM 410 C LEU A 30 39.112 15.062 -3.153 1.00 1.00 C ATOM 411 O LEU A 30 38.265 14.615 -2.380 1.00 1.00 O ATOM 412 CB LEU A 30 37.509 14.693 -5.034 1.00 1.00 C ATOM 413 CG LEU A 30 37.879 13.215 -5.223 1.00 1.00 C ATOM 414 CD1 LEU A 30 36.602 12.397 -5.424 1.00 1.00 C ATOM 415 CD2 LEU A 30 38.787 13.036 -6.448 1.00 1.00 C ATOM 0 H LEU A 30 40.371 14.429 -5.340 1.00 1.00 H new ATOM 0 HA LEU A 30 38.482 16.552 -4.561 1.00 1.00 H new ATOM 0 HB2 LEU A 30 36.706 14.783 -4.303 1.00 1.00 H new ATOM 0 HB3 LEU A 30 37.135 15.104 -5.971 1.00 1.00 H new ATOM 0 HG LEU A 30 38.412 12.872 -4.336 1.00 1.00 H new ATOM 0 HD11 LEU A 30 36.860 11.347 -5.559 1.00 1.00 H new ATOM 0 HD12 LEU A 30 35.960 12.504 -4.550 1.00 1.00 H new ATOM 0 HD13 LEU A 30 36.075 12.757 -6.307 1.00 1.00 H new ATOM 0 HD21 LEU A 30 39.038 11.982 -6.564 1.00 1.00 H new ATOM 0 HD22 LEU A 30 38.268 13.386 -7.340 1.00 1.00 H new ATOM 0 HD23 LEU A 30 39.701 13.613 -6.311 1.00 1.00 H new ATOM 427 N ILE A 31 40.391 15.208 -2.819 1.00 1.00 N ATOM 428 CA ILE A 31 40.870 14.838 -1.492 1.00 1.00 C ATOM 429 C ILE A 31 40.519 15.917 -0.466 1.00 1.00 C ATOM 430 O ILE A 31 40.156 15.603 0.668 1.00 1.00 O ATOM 431 CB ILE A 31 42.388 14.615 -1.499 1.00 1.00 C ATOM 432 CG1 ILE A 31 42.877 14.294 -2.920 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.735 13.452 -0.569 1.00 1.00 C ATOM 434 CD1 ILE A 31 42.071 13.132 -3.510 1.00 1.00 C ATOM 0 H ILE A 31 41.109 15.577 -3.443 1.00 1.00 H new ATOM 0 HA ILE A 31 40.376 13.907 -1.213 1.00 1.00 H new ATOM 0 HB ILE A 31 42.879 15.525 -1.154 1.00 1.00 H new ATOM 0 HG12 ILE A 31 42.776 15.175 -3.554 1.00 1.00 H new ATOM 0 HG13 ILE A 31 43.936 14.037 -2.898 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.813 13.292 -0.573 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.406 13.685 0.444 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.233 12.548 -0.914 1.00 1.00 H new ATOM 0 HD11 ILE A 31 42.428 12.916 -4.517 1.00 1.00 H new ATOM 0 HD12 ILE A 31 42.194 12.249 -2.884 1.00 1.00 H new ATOM 0 HD13 ILE A 31 41.016 13.404 -3.550 1.00 1.00 H new ATOM 446 N PRO A 32 40.618 17.175 -0.830 1.00 1.00 N ATOM 447 CA PRO A 32 40.303 18.297 0.087 1.00 1.00 C ATOM 448 C PRO A 32 38.817 18.648 0.070 1.00 1.00 C ATOM 449 O PRO A 32 38.431 19.773 0.388 1.00 1.00 O ATOM 450 CB PRO A 32 41.150 19.448 -0.456 1.00 1.00 C ATOM 451 CG PRO A 32 41.380 19.149 -1.908 1.00 1.00 C ATOM 452 CD PRO A 32 41.037 17.672 -2.148 1.00 1.00 C ATOM 0 HA PRO A 32 40.521 18.058 1.128 1.00 1.00 H new ATOM 0 HB2 PRO A 32 40.637 20.402 -0.331 1.00 1.00 H new ATOM 0 HB3 PRO A 32 42.096 19.522 0.081 1.00 1.00 H new ATOM 0 HG2 PRO A 32 40.759 19.791 -2.532 1.00 1.00 H new ATOM 0 HG3 PRO A 32 42.417 19.348 -2.179 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.241 17.564 -2.885 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.898 17.120 -2.525 1.00 1.00 H new ATOM 460 N ALA A 33 37.993 17.672 -0.303 1.00 1.00 N ATOM 461 CA ALA A 33 36.549 17.875 -0.362 1.00 1.00 C ATOM 462 C ALA A 33 35.828 16.794 0.437 1.00 1.00 C ATOM 463 O ALA A 33 34.782 17.044 1.035 1.00 1.00 O ATOM 464 CB ALA A 33 36.076 17.837 -1.816 1.00 1.00 C ATOM 0 H ALA A 33 38.300 16.736 -0.568 1.00 1.00 H new ATOM 0 HA ALA A 33 36.317 18.849 0.069 1.00 1.00 H new ATOM 0 HB1 ALA A 33 34.997 17.989 -1.852 1.00 1.00 H new ATOM 0 HB2 ALA A 33 36.573 18.626 -2.381 1.00 1.00 H new ATOM 0 HB3 ALA A 33 36.320 16.869 -2.253 1.00 1.00 H new ATOM 470 N ILE A 34 36.398 15.592 0.443 1.00 1.00 N ATOM 471 CA ILE A 34 35.806 14.477 1.173 1.00 1.00 C ATOM 472 C ILE A 34 36.601 14.192 2.443 1.00 1.00 C ATOM 473 O ILE A 34 36.032 14.056 3.526 1.00 1.00 O ATOM 474 CB ILE A 34 35.784 13.228 0.291 1.00 1.00 C ATOM 475 CG1 ILE A 34 34.920 13.493 -0.944 1.00 1.00 C ATOM 476 CG2 ILE A 34 35.198 12.055 1.080 1.00 1.00 C ATOM 477 CD1 ILE A 34 35.097 12.352 -1.947 1.00 1.00 C ATOM 0 H ILE A 34 37.264 15.367 -0.047 1.00 1.00 H new ATOM 0 HA ILE A 34 34.785 14.744 1.447 1.00 1.00 H new ATOM 0 HB ILE A 34 36.800 12.985 -0.020 1.00 1.00 H new ATOM 0 HG12 ILE A 34 33.872 13.578 -0.656 1.00 1.00 H new ATOM 0 HG13 ILE A 34 35.203 14.441 -1.402 1.00 1.00 H new ATOM 0 HG21 ILE A 34 35.182 11.165 0.451 1.00 1.00 H new ATOM 0 HG22 ILE A 34 35.812 11.866 1.961 1.00 1.00 H new ATOM 0 HG23 ILE A 34 34.182 12.297 1.391 1.00 1.00 H new ATOM 0 HD11 ILE A 34 34.481 12.542 -2.826 1.00 1.00 H new ATOM 0 HD12 ILE A 34 36.144 12.288 -2.244 1.00 1.00 H new ATOM 0 HD13 ILE A 34 34.792 11.412 -1.487 1.00 1.00 H new ATOM 489 N TYR A 35 37.919 14.104 2.302 1.00 1.00 N ATOM 490 CA TYR A 35 38.784 13.837 3.446 1.00 1.00 C ATOM 491 C TYR A 35 38.904 15.078 4.324 1.00 1.00 C ATOM 492 O TYR A 35 39.497 15.034 5.402 1.00 1.00 O ATOM 493 CB TYR A 35 40.173 13.414 2.964 1.00 1.00 C ATOM 494 CG TYR A 35 40.952 12.834 4.119 1.00 1.00 C ATOM 495 CD1 TYR A 35 40.860 11.467 4.410 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.767 13.662 4.900 1.00 1.00 C ATOM 497 CE1 TYR A 35 41.583 10.929 5.482 1.00 1.00 C ATOM 498 CE2 TYR A 35 42.489 13.124 5.972 1.00 1.00 C ATOM 499 CZ TYR A 35 42.397 11.757 6.263 1.00 1.00 C ATOM 500 OH TYR A 35 43.109 11.227 7.319 1.00 1.00 O ATOM 0 H TYR A 35 38.409 14.213 1.414 1.00 1.00 H new ATOM 0 HA TYR A 35 38.343 13.031 4.032 1.00 1.00 H new ATOM 0 HB2 TYR A 35 40.084 12.677 2.165 1.00 1.00 H new ATOM 0 HB3 TYR A 35 40.702 14.272 2.549 1.00 1.00 H new ATOM 0 HD1 TYR A 35 40.231 10.828 3.808 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.839 14.716 4.675 1.00 1.00 H new ATOM 0 HE1 TYR A 35 41.512 9.875 5.706 1.00 1.00 H new ATOM 0 HE2 TYR A 35 43.117 13.763 6.575 1.00 1.00 H new ATOM 0 HH TYR A 35 43.624 11.937 7.756 1.00 1.00 H new ATOM 510 N MET A 36 38.336 16.184 3.853 1.00 1.00 N ATOM 511 CA MET A 36 38.384 17.435 4.601 1.00 1.00 C ATOM 512 C MET A 36 37.052 17.692 5.299 1.00 1.00 C ATOM 513 O MET A 36 36.980 17.726 6.527 1.00 1.00 O ATOM 514 CB MET A 36 38.699 18.595 3.655 1.00 1.00 C ATOM 515 CG MET A 36 38.710 19.909 4.442 1.00 1.00 C ATOM 516 SD MET A 36 39.371 21.231 3.397 1.00 1.00 S ATOM 517 CE MET A 36 41.120 20.970 3.780 1.00 1.00 C ATOM 0 H MET A 36 37.841 16.240 2.963 1.00 1.00 H new ATOM 0 HA MET A 36 39.167 17.358 5.355 1.00 1.00 H new ATOM 0 HB2 MET A 36 39.666 18.437 3.178 1.00 1.00 H new ATOM 0 HB3 MET A 36 37.955 18.642 2.860 1.00 1.00 H new ATOM 0 HG2 MET A 36 37.700 20.159 4.768 1.00 1.00 H new ATOM 0 HG3 MET A 36 39.318 19.802 5.340 1.00 1.00 H new ATOM 0 HE1 MET A 36 41.724 21.693 3.232 1.00 1.00 H new ATOM 0 HE2 MET A 36 41.281 21.100 4.850 1.00 1.00 H new ATOM 0 HE3 MET A 36 41.409 19.960 3.489 1.00 1.00 H new ATOM 527 N LEU A 37 36.001 17.875 4.507 1.00 1.00 N ATOM 528 CA LEU A 37 34.676 18.131 5.058 1.00 1.00 C ATOM 529 C LEU A 37 34.274 17.021 6.025 1.00 1.00 C ATOM 530 O LEU A 37 33.262 17.127 6.718 1.00 1.00 O ATOM 531 CB LEU A 37 33.649 18.223 3.928 1.00 1.00 C ATOM 532 CG LEU A 37 34.136 19.218 2.872 1.00 1.00 C ATOM 533 CD1 LEU A 37 33.113 19.303 1.739 1.00 1.00 C ATOM 534 CD2 LEU A 37 34.303 20.600 3.511 1.00 1.00 C ATOM 0 H LEU A 37 36.040 17.851 3.488 1.00 1.00 H new ATOM 0 HA LEU A 37 34.705 19.076 5.600 1.00 1.00 H new ATOM 0 HB2 LEU A 37 33.501 17.242 3.477 1.00 1.00 H new ATOM 0 HB3 LEU A 37 32.685 18.541 4.324 1.00 1.00 H new ATOM 0 HG LEU A 37 35.093 18.883 2.473 1.00 1.00 H new ATOM 0 HD11 LEU A 37 33.461 20.012 0.987 1.00 1.00 H new ATOM 0 HD12 LEU A 37 32.993 18.320 1.283 1.00 1.00 H new ATOM 0 HD13 LEU A 37 32.155 19.638 2.138 1.00 1.00 H new ATOM 0 HD21 LEU A 37 34.650 21.309 2.759 1.00 1.00 H new ATOM 0 HD22 LEU A 37 33.346 20.934 3.911 1.00 1.00 H new ATOM 0 HD23 LEU A 37 35.033 20.542 4.319 1.00 1.00 H new ATOM 546 N VAL A 38 35.073 15.960 6.066 1.00 1.00 N ATOM 547 CA VAL A 38 34.789 14.836 6.953 1.00 1.00 C ATOM 548 C VAL A 38 35.686 14.887 8.186 1.00 1.00 C ATOM 549 O VAL A 38 35.436 14.198 9.174 1.00 1.00 O ATOM 550 CB VAL A 38 35.014 13.517 6.211 1.00 1.00 C ATOM 551 CG1 VAL A 38 34.819 12.349 7.180 1.00 1.00 C ATOM 552 CG2 VAL A 38 34.006 13.401 5.065 1.00 1.00 C ATOM 0 H VAL A 38 35.916 15.854 5.501 1.00 1.00 H new ATOM 0 HA VAL A 38 33.749 14.902 7.271 1.00 1.00 H new ATOM 0 HB VAL A 38 36.027 13.492 5.810 1.00 1.00 H new ATOM 0 HG11 VAL A 38 34.979 11.408 6.653 1.00 1.00 H new ATOM 0 HG12 VAL A 38 35.534 12.432 7.999 1.00 1.00 H new ATOM 0 HG13 VAL A 38 33.805 12.373 7.580 1.00 1.00 H new ATOM 0 HG21 VAL A 38 34.164 12.462 4.535 1.00 1.00 H new ATOM 0 HG22 VAL A 38 32.993 13.424 5.467 1.00 1.00 H new ATOM 0 HG23 VAL A 38 34.142 14.234 4.375 1.00 1.00 H new ATOM 562 N PHE A 39 36.729 15.707 8.120 1.00 1.00 N ATOM 563 CA PHE A 39 37.656 15.839 9.238 1.00 1.00 C ATOM 564 C PHE A 39 36.962 16.481 10.436 1.00 1.00 C ATOM 565 O PHE A 39 37.265 16.161 11.585 1.00 1.00 O ATOM 566 CB PHE A 39 38.856 16.692 8.825 1.00 1.00 C ATOM 567 CG PHE A 39 39.655 17.065 10.050 1.00 1.00 C ATOM 568 CD1 PHE A 39 39.356 18.241 10.750 1.00 1.00 C ATOM 569 CD2 PHE A 39 40.696 16.236 10.487 1.00 1.00 C ATOM 570 CE1 PHE A 39 40.096 18.586 11.886 1.00 1.00 C ATOM 571 CE2 PHE A 39 41.436 16.582 11.624 1.00 1.00 C ATOM 572 CZ PHE A 39 41.137 17.758 12.323 1.00 1.00 C ATOM 0 H PHE A 39 36.953 16.286 7.311 1.00 1.00 H new ATOM 0 HA PHE A 39 37.999 14.843 9.520 1.00 1.00 H new ATOM 0 HB2 PHE A 39 39.482 16.142 8.123 1.00 1.00 H new ATOM 0 HB3 PHE A 39 38.517 17.592 8.312 1.00 1.00 H new ATOM 0 HD1 PHE A 39 38.554 18.881 10.413 1.00 1.00 H new ATOM 0 HD2 PHE A 39 40.928 15.330 9.947 1.00 1.00 H new ATOM 0 HE1 PHE A 39 39.864 19.492 12.426 1.00 1.00 H new ATOM 0 HE2 PHE A 39 42.237 15.942 11.962 1.00 1.00 H new ATOM 0 HZ PHE A 39 41.709 18.026 13.199 1.00 1.00 H new ATOM 582 N LEU A 40 36.029 17.385 10.157 1.00 1.00 N ATOM 583 CA LEU A 40 35.297 18.066 11.220 1.00 1.00 C ATOM 584 C LEU A 40 33.908 17.458 11.389 1.00 1.00 C ATOM 585 O LEU A 40 33.162 17.834 12.292 1.00 1.00 O ATOM 586 CB LEU A 40 35.168 19.555 10.894 1.00 1.00 C ATOM 587 CG LEU A 40 34.555 19.723 9.503 1.00 1.00 C ATOM 588 CD1 LEU A 40 33.377 20.695 9.578 1.00 1.00 C ATOM 589 CD2 LEU A 40 35.612 20.278 8.546 1.00 1.00 C ATOM 0 H LEU A 40 35.763 17.662 9.212 1.00 1.00 H new ATOM 0 HA LEU A 40 35.850 17.945 12.151 1.00 1.00 H new ATOM 0 HB2 LEU A 40 34.544 20.048 11.640 1.00 1.00 H new ATOM 0 HB3 LEU A 40 36.147 20.032 10.931 1.00 1.00 H new ATOM 0 HG LEU A 40 34.205 18.756 9.141 1.00 1.00 H new ATOM 0 HD11 LEU A 40 32.940 20.815 8.587 1.00 1.00 H new ATOM 0 HD12 LEU A 40 32.624 20.302 10.261 1.00 1.00 H new ATOM 0 HD13 LEU A 40 33.726 21.662 9.940 1.00 1.00 H new ATOM 0 HD21 LEU A 40 35.177 20.399 7.554 1.00 1.00 H new ATOM 0 HD22 LEU A 40 35.960 21.245 8.909 1.00 1.00 H new ATOM 0 HD23 LEU A 40 36.453 19.587 8.492 1.00 1.00 H new ATOM 601 N LEU A 41 33.570 16.517 10.512 1.00 1.00 N ATOM 602 CA LEU A 41 32.268 15.862 10.572 1.00 1.00 C ATOM 603 C LEU A 41 32.413 14.359 10.357 1.00 1.00 C ATOM 604 O LEU A 41 31.812 13.792 9.444 1.00 1.00 O ATOM 605 CB LEU A 41 31.339 16.444 9.505 1.00 1.00 C ATOM 606 CG LEU A 41 30.789 17.788 9.985 1.00 1.00 C ATOM 607 CD1 LEU A 41 30.602 18.721 8.787 1.00 1.00 C ATOM 608 CD2 LEU A 41 29.440 17.567 10.673 1.00 1.00 C ATOM 0 H LEU A 41 34.175 16.193 9.757 1.00 1.00 H new ATOM 0 HA LEU A 41 31.841 16.037 11.559 1.00 1.00 H new ATOM 0 HB2 LEU A 41 31.881 16.574 8.568 1.00 1.00 H new ATOM 0 HB3 LEU A 41 30.519 15.754 9.306 1.00 1.00 H new ATOM 0 HG LEU A 41 31.489 18.237 10.689 1.00 1.00 H new ATOM 0 HD11 LEU A 41 30.210 19.679 9.129 1.00 1.00 H new ATOM 0 HD12 LEU A 41 31.562 18.877 8.294 1.00 1.00 H new ATOM 0 HD13 LEU A 41 29.901 18.273 8.083 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.046 18.523 11.016 1.00 1.00 H new ATOM 0 HD22 LEU A 41 28.741 17.118 9.967 1.00 1.00 H new ATOM 0 HD23 LEU A 41 29.571 16.902 11.526 1.00 1.00 H new ATOM 620 N GLY A 42 33.212 13.719 11.204 1.00 1.00 N ATOM 621 CA GLY A 42 33.428 12.280 11.097 1.00 1.00 C ATOM 622 C GLY A 42 34.288 11.774 12.249 1.00 1.00 C ATOM 623 O GLY A 42 34.140 10.634 12.690 1.00 1.00 O ATOM 0 H GLY A 42 33.718 14.169 11.967 1.00 1.00 H new ATOM 0 HA2 GLY A 42 32.469 11.763 11.099 1.00 1.00 H new ATOM 0 HA3 GLY A 42 33.912 12.050 10.148 1.00 1.00 H new ATOM 627 N THR A 43 35.185 12.631 12.729 1.00 1.00 N ATOM 628 CA THR A 43 36.068 12.269 13.832 1.00 1.00 C ATOM 629 C THR A 43 35.997 13.320 14.935 1.00 1.00 C ATOM 630 O THR A 43 35.880 12.990 16.116 1.00 1.00 O ATOM 631 CB THR A 43 37.507 12.147 13.325 1.00 1.00 C ATOM 632 OG1 THR A 43 37.701 10.858 12.762 1.00 1.00 O ATOM 633 CG2 THR A 43 38.483 12.350 14.485 1.00 1.00 C ATOM 0 H THR A 43 35.319 13.577 12.373 1.00 1.00 H new ATOM 0 HA THR A 43 35.746 11.311 14.239 1.00 1.00 H new ATOM 0 HB THR A 43 37.688 12.908 12.566 1.00 1.00 H new ATOM 0 HG1 THR A 43 38.622 10.779 12.435 1.00 1.00 H new ATOM 0 HG21 THR A 43 39.506 12.262 14.119 1.00 1.00 H new ATOM 0 HG22 THR A 43 38.335 13.340 14.916 1.00 1.00 H new ATOM 0 HG23 THR A 43 38.304 11.592 15.248 1.00 1.00 H new ATOM 641 N THR A 44 36.069 14.587 14.542 1.00 1.00 N ATOM 642 CA THR A 44 36.012 15.680 15.504 1.00 1.00 C ATOM 643 C THR A 44 34.952 15.404 16.566 1.00 1.00 C ATOM 644 O THR A 44 35.118 15.764 17.732 1.00 1.00 O ATOM 645 CB THR A 44 35.690 16.992 14.785 1.00 1.00 C ATOM 646 OG1 THR A 44 36.880 17.524 14.219 1.00 1.00 O ATOM 647 CG2 THR A 44 35.106 17.995 15.781 1.00 1.00 C ATOM 0 H THR A 44 36.166 14.881 13.570 1.00 1.00 H new ATOM 0 HA THR A 44 36.984 15.763 15.991 1.00 1.00 H new ATOM 0 HB THR A 44 34.963 16.803 13.996 1.00 1.00 H new ATOM 0 HG1 THR A 44 37.125 17.005 13.425 1.00 1.00 H new ATOM 0 HG21 THR A 44 34.878 18.928 15.266 1.00 1.00 H new ATOM 0 HG22 THR A 44 34.193 17.587 16.215 1.00 1.00 H new ATOM 0 HG23 THR A 44 35.830 18.185 16.573 1.00 1.00 H new ATOM 655 N GLY A 45 33.863 14.764 16.154 1.00 1.00 N ATOM 656 CA GLY A 45 32.782 14.444 17.079 1.00 1.00 C ATOM 657 C GLY A 45 33.333 13.938 18.407 1.00 1.00 C ATOM 658 O GLY A 45 33.380 14.673 19.392 1.00 1.00 O ATOM 0 H GLY A 45 33.706 14.459 15.194 1.00 1.00 H new ATOM 0 HA2 GLY A 45 32.169 15.329 17.249 1.00 1.00 H new ATOM 0 HA3 GLY A 45 32.133 13.687 16.638 1.00 1.00 H new ATOM 662 N ASN A 46 33.747 12.675 18.426 1.00 1.00 N ATOM 663 CA ASN A 46 34.293 12.079 19.640 1.00 1.00 C ATOM 664 C ASN A 46 35.234 10.928 19.295 1.00 1.00 C ATOM 665 O ASN A 46 35.555 10.099 20.147 1.00 1.00 O ATOM 666 CB ASN A 46 33.158 11.564 20.527 1.00 1.00 C ATOM 667 CG ASN A 46 33.599 11.554 21.985 1.00 1.00 C ATOM 668 OD1 ASN A 46 33.458 10.541 22.671 1.00 1.00 O ATOM 669 ND2 ASN A 46 34.128 12.628 22.505 1.00 1.00 N ATOM 0 H ASN A 46 33.715 12.049 17.621 1.00 1.00 H new ATOM 0 HA ASN A 46 34.854 12.844 20.177 1.00 1.00 H new ATOM 0 HB2 ASN A 46 32.278 12.196 20.409 1.00 1.00 H new ATOM 0 HB3 ASN A 46 32.872 10.559 20.218 1.00 1.00 H new ATOM 0 HD21 ASN A 46 34.425 12.629 23.481 1.00 1.00 H new ATOM 0 HD22 ASN A 46 34.244 13.466 21.936 1.00 1.00 H new ATOM 676 N GLY A 47 35.671 10.884 18.041 1.00 1.00 N ATOM 677 CA GLY A 47 36.575 9.831 17.594 1.00 1.00 C ATOM 678 C GLY A 47 38.029 10.273 17.714 1.00 1.00 C ATOM 679 O GLY A 47 38.861 9.940 16.870 1.00 1.00 O ATOM 0 H GLY A 47 35.416 11.560 17.321 1.00 1.00 H new ATOM 0 HA2 GLY A 47 36.414 8.932 18.189 1.00 1.00 H new ATOM 0 HA3 GLY A 47 36.354 9.572 16.559 1.00 1.00 H new ATOM 683 N LEU A 48 38.329 11.027 18.767 1.00 1.00 N ATOM 684 CA LEU A 48 39.687 11.509 18.987 1.00 1.00 C ATOM 685 C LEU A 48 40.391 10.666 20.046 1.00 1.00 C ATOM 686 O LEU A 48 41.522 10.957 20.434 1.00 1.00 O ATOM 687 CB LEU A 48 39.656 12.971 19.436 1.00 1.00 C ATOM 688 CG LEU A 48 39.015 13.829 18.343 1.00 1.00 C ATOM 689 CD1 LEU A 48 38.312 15.029 18.980 1.00 1.00 C ATOM 690 CD2 LEU A 48 40.099 14.324 17.384 1.00 1.00 C ATOM 0 H LEU A 48 37.655 11.315 19.476 1.00 1.00 H new ATOM 0 HA LEU A 48 40.237 11.428 18.049 1.00 1.00 H new ATOM 0 HB2 LEU A 48 39.092 13.065 20.364 1.00 1.00 H new ATOM 0 HB3 LEU A 48 40.668 13.321 19.641 1.00 1.00 H new ATOM 0 HG LEU A 48 38.287 13.232 17.794 1.00 1.00 H new ATOM 0 HD11 LEU A 48 37.856 15.639 18.201 1.00 1.00 H new ATOM 0 HD12 LEU A 48 37.540 14.677 19.664 1.00 1.00 H new ATOM 0 HD13 LEU A 48 39.039 15.627 19.530 1.00 1.00 H new ATOM 0 HD21 LEU A 48 39.644 14.935 16.605 1.00 1.00 H new ATOM 0 HD22 LEU A 48 40.827 14.920 17.934 1.00 1.00 H new ATOM 0 HD23 LEU A 48 40.600 13.470 16.929 1.00 1.00 H new ATOM 702 N VAL A 49 39.714 9.619 20.506 1.00 1.00 N ATOM 703 CA VAL A 49 40.286 8.739 21.519 1.00 1.00 C ATOM 704 C VAL A 49 41.036 7.583 20.866 1.00 1.00 C ATOM 705 O VAL A 49 41.997 7.057 21.428 1.00 1.00 O ATOM 706 CB VAL A 49 39.177 8.187 22.416 1.00 1.00 C ATOM 707 CG1 VAL A 49 39.746 7.086 23.314 1.00 1.00 C ATOM 708 CG2 VAL A 49 38.618 9.314 23.287 1.00 1.00 C ATOM 0 H VAL A 49 38.777 9.360 20.197 1.00 1.00 H new ATOM 0 HA VAL A 49 40.987 9.317 22.120 1.00 1.00 H new ATOM 0 HB VAL A 49 38.381 7.775 21.796 1.00 1.00 H new ATOM 0 HG11 VAL A 49 38.955 6.693 23.953 1.00 1.00 H new ATOM 0 HG12 VAL A 49 40.146 6.282 22.696 1.00 1.00 H new ATOM 0 HG13 VAL A 49 40.543 7.497 23.934 1.00 1.00 H new ATOM 0 HG21 VAL A 49 37.827 8.922 23.927 1.00 1.00 H new ATOM 0 HG22 VAL A 49 39.415 9.725 23.906 1.00 1.00 H new ATOM 0 HG23 VAL A 49 38.212 10.100 22.649 1.00 1.00 H new ATOM 718 N LEU A 50 40.592 7.193 19.676 1.00 1.00 N ATOM 719 CA LEU A 50 41.229 6.099 18.953 1.00 1.00 C ATOM 720 C LEU A 50 42.126 6.638 17.843 1.00 1.00 C ATOM 721 O LEU A 50 42.583 5.886 16.982 1.00 1.00 O ATOM 722 CB LEU A 50 40.166 5.178 18.350 1.00 1.00 C ATOM 723 CG LEU A 50 38.946 6.002 17.935 1.00 1.00 C ATOM 724 CD1 LEU A 50 38.279 5.352 16.722 1.00 1.00 C ATOM 725 CD2 LEU A 50 37.949 6.057 19.094 1.00 1.00 C ATOM 0 H LEU A 50 39.798 7.615 19.194 1.00 1.00 H new ATOM 0 HA LEU A 50 41.840 5.534 19.657 1.00 1.00 H new ATOM 0 HB2 LEU A 50 40.573 4.653 17.486 1.00 1.00 H new ATOM 0 HB3 LEU A 50 39.874 4.419 19.076 1.00 1.00 H new ATOM 0 HG LEU A 50 39.262 7.013 17.678 1.00 1.00 H new ATOM 0 HD11 LEU A 50 37.410 5.939 16.427 1.00 1.00 H new ATOM 0 HD12 LEU A 50 38.988 5.312 15.895 1.00 1.00 H new ATOM 0 HD13 LEU A 50 37.963 4.341 16.979 1.00 1.00 H new ATOM 0 HD21 LEU A 50 37.080 6.644 18.798 1.00 1.00 H new ATOM 0 HD22 LEU A 50 37.634 5.046 19.351 1.00 1.00 H new ATOM 0 HD23 LEU A 50 38.422 6.520 19.960 1.00 1.00 H new ATOM 737 N TRP A 51 42.374 7.942 17.871 1.00 1.00 N ATOM 738 CA TRP A 51 43.220 8.571 16.863 1.00 1.00 C ATOM 739 C TRP A 51 44.643 8.729 17.387 1.00 1.00 C ATOM 740 O TRP A 51 45.522 7.926 17.076 1.00 1.00 O ATOM 741 CB TRP A 51 42.657 9.942 16.488 1.00 1.00 C ATOM 742 CG TRP A 51 43.758 10.802 15.956 1.00 1.00 C ATOM 743 CD1 TRP A 51 44.652 10.425 15.014 1.00 1.00 C ATOM 744 CD2 TRP A 51 44.099 12.172 16.318 1.00 1.00 C ATOM 745 NE1 TRP A 51 45.519 11.475 14.774 1.00 1.00 N ATOM 746 CE2 TRP A 51 45.219 12.574 15.554 1.00 1.00 C ATOM 747 CE3 TRP A 51 43.549 13.096 17.226 1.00 1.00 C ATOM 748 CZ2 TRP A 51 45.775 13.847 15.685 1.00 1.00 C ATOM 749 CZ3 TRP A 51 44.107 14.378 17.361 1.00 1.00 C ATOM 750 CH2 TRP A 51 45.217 14.753 16.591 1.00 1.00 C ATOM 0 H TRP A 51 42.005 8.581 18.575 1.00 1.00 H new ATOM 0 HA TRP A 51 43.237 7.934 15.979 1.00 1.00 H new ATOM 0 HB2 TRP A 51 41.872 9.833 15.740 1.00 1.00 H new ATOM 0 HB3 TRP A 51 42.203 10.412 17.360 1.00 1.00 H new ATOM 0 HD1 TRP A 51 44.684 9.461 14.528 1.00 1.00 H new ATOM 0 HE1 TRP A 51 46.286 11.442 14.103 1.00 1.00 H new ATOM 0 HE3 TRP A 51 42.693 12.818 17.823 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 46.631 14.130 15.090 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 43.678 15.079 18.062 1.00 1.00 H new ATOM 0 HH2 TRP A 51 45.640 15.741 16.698 1.00 1.00 H new ATOM 761 N THR A 52 44.862 9.768 18.187 1.00 1.00 N ATOM 762 CA THR A 52 46.183 10.018 18.750 1.00 1.00 C ATOM 763 C THR A 52 46.717 8.760 19.426 1.00 1.00 C ATOM 764 O THR A 52 47.925 8.524 19.459 1.00 1.00 O ATOM 765 CB THR A 52 46.109 11.157 19.770 1.00 1.00 C ATOM 766 OG1 THR A 52 47.404 11.399 20.301 1.00 1.00 O ATOM 767 CG2 THR A 52 45.155 10.772 20.901 1.00 1.00 C ATOM 0 H THR A 52 44.148 10.445 18.458 1.00 1.00 H new ATOM 0 HA THR A 52 46.858 10.300 17.942 1.00 1.00 H new ATOM 0 HB THR A 52 45.742 12.059 19.281 1.00 1.00 H new ATOM 0 HG1 THR A 52 47.359 12.129 20.953 1.00 1.00 H new ATOM 0 HG21 THR A 52 45.104 11.584 21.626 1.00 1.00 H new ATOM 0 HG22 THR A 52 44.162 10.587 20.492 1.00 1.00 H new ATOM 0 HG23 THR A 52 45.519 9.869 21.392 1.00 1.00 H new ATOM 775 N VAL A 53 45.807 7.954 19.964 1.00 1.00 N ATOM 776 CA VAL A 53 46.193 6.720 20.636 1.00 1.00 C ATOM 777 C VAL A 53 46.687 5.693 19.622 1.00 1.00 C ATOM 778 O VAL A 53 47.435 4.778 19.964 1.00 1.00 O ATOM 779 CB VAL A 53 45.001 6.148 21.405 1.00 1.00 C ATOM 780 CG1 VAL A 53 45.266 4.680 21.741 1.00 1.00 C ATOM 781 CG2 VAL A 53 44.803 6.939 22.699 1.00 1.00 C ATOM 0 H VAL A 53 44.803 8.132 19.948 1.00 1.00 H new ATOM 0 HA VAL A 53 47.000 6.944 21.334 1.00 1.00 H new ATOM 0 HB VAL A 53 44.103 6.223 20.791 1.00 1.00 H new ATOM 0 HG11 VAL A 53 44.416 4.273 22.289 1.00 1.00 H new ATOM 0 HG12 VAL A 53 45.407 4.116 20.819 1.00 1.00 H new ATOM 0 HG13 VAL A 53 46.164 4.603 22.355 1.00 1.00 H new ATOM 0 HG21 VAL A 53 43.954 6.532 23.248 1.00 1.00 H new ATOM 0 HG22 VAL A 53 45.701 6.864 23.312 1.00 1.00 H new ATOM 0 HG23 VAL A 53 44.613 7.985 22.460 1.00 1.00 H new ATOM 791 N PHE A 54 46.263 5.854 18.373 1.00 1.00 N ATOM 792 CA PHE A 54 46.668 4.936 17.314 1.00 1.00 C ATOM 793 C PHE A 54 48.170 5.029 17.071 1.00 1.00 C ATOM 794 O PHE A 54 48.799 4.067 16.631 1.00 1.00 O ATOM 795 CB PHE A 54 45.918 5.266 16.022 1.00 1.00 C ATOM 796 CG PHE A 54 45.784 4.017 15.185 1.00 1.00 C ATOM 797 CD1 PHE A 54 44.703 3.151 15.387 1.00 1.00 C ATOM 798 CD2 PHE A 54 46.741 3.724 14.206 1.00 1.00 C ATOM 799 CE1 PHE A 54 44.579 1.993 14.609 1.00 1.00 C ATOM 800 CE2 PHE A 54 46.618 2.565 13.429 1.00 1.00 C ATOM 801 CZ PHE A 54 45.535 1.700 13.631 1.00 1.00 C ATOM 0 H PHE A 54 45.644 6.606 18.070 1.00 1.00 H new ATOM 0 HA PHE A 54 46.424 3.920 17.626 1.00 1.00 H new ATOM 0 HB2 PHE A 54 44.932 5.669 16.254 1.00 1.00 H new ATOM 0 HB3 PHE A 54 46.453 6.035 15.464 1.00 1.00 H new ATOM 0 HD1 PHE A 54 43.965 3.376 16.143 1.00 1.00 H new ATOM 0 HD2 PHE A 54 47.575 4.392 14.050 1.00 1.00 H new ATOM 0 HE1 PHE A 54 43.744 1.326 14.764 1.00 1.00 H new ATOM 0 HE2 PHE A 54 47.357 2.339 12.675 1.00 1.00 H new ATOM 0 HZ PHE A 54 45.438 0.807 13.032 1.00 1.00 H new ATOM 811 N ARG A 55 48.740 6.194 17.360 1.00 1.00 N ATOM 812 CA ARG A 55 50.171 6.401 17.169 1.00 1.00 C ATOM 813 C ARG A 55 50.971 5.514 18.118 1.00 1.00 C ATOM 814 O ARG A 55 52.055 5.040 17.775 1.00 1.00 O ATOM 815 CB ARG A 55 50.527 7.869 17.422 1.00 1.00 C ATOM 816 CG ARG A 55 50.207 8.702 16.178 1.00 1.00 C ATOM 817 CD ARG A 55 48.705 8.647 15.894 1.00 1.00 C ATOM 818 NE ARG A 55 48.315 9.754 15.029 1.00 1.00 N ATOM 819 CZ ARG A 55 48.324 11.008 15.470 1.00 1.00 C ATOM 820 NH1 ARG A 55 48.678 11.264 16.700 1.00 1.00 N ATOM 821 NH2 ARG A 55 47.979 11.983 14.675 1.00 1.00 N ATOM 0 H ARG A 55 48.238 7.004 17.725 1.00 1.00 H new ATOM 0 HA ARG A 55 50.422 6.138 16.141 1.00 1.00 H new ATOM 0 HB2 ARG A 55 49.967 8.246 18.278 1.00 1.00 H new ATOM 0 HB3 ARG A 55 51.585 7.959 17.669 1.00 1.00 H new ATOM 0 HG2 ARG A 55 50.521 9.735 16.329 1.00 1.00 H new ATOM 0 HG3 ARG A 55 50.763 8.322 15.321 1.00 1.00 H new ATOM 0 HD2 ARG A 55 48.452 7.699 15.420 1.00 1.00 H new ATOM 0 HD3 ARG A 55 48.149 8.694 16.830 1.00 1.00 H new ATOM 0 HE ARG A 55 48.030 9.563 14.068 1.00 1.00 H new ATOM 0 HH11 ARG A 55 48.948 10.502 17.322 1.00 1.00 H new ATOM 0 HH12 ARG A 55 48.685 12.226 17.039 1.00 1.00 H new ATOM 0 HH21 ARG A 55 47.702 11.784 13.714 1.00 1.00 H new ATOM 0 HH22 ARG A 55 47.986 12.945 15.015 1.00 1.00 H new ATOM 835 N LYS A 56 50.431 5.295 19.311 1.00 1.00 N ATOM 836 CA LYS A 56 51.104 4.463 20.303 1.00 1.00 C ATOM 837 C LYS A 56 50.533 3.049 20.295 1.00 1.00 C ATOM 838 O LYS A 56 50.535 2.362 21.316 1.00 1.00 O ATOM 839 CB LYS A 56 50.939 5.074 21.696 1.00 1.00 C ATOM 840 CG LYS A 56 50.955 6.599 21.591 1.00 1.00 C ATOM 841 CD LYS A 56 50.946 7.209 22.994 1.00 1.00 C ATOM 842 CE LYS A 56 51.149 8.722 22.895 1.00 1.00 C ATOM 843 NZ LYS A 56 50.372 9.254 21.740 1.00 1.00 N ATOM 0 H LYS A 56 49.536 5.678 19.614 1.00 1.00 H new ATOM 0 HA LYS A 56 52.163 4.416 20.050 1.00 1.00 H new ATOM 0 HB2 LYS A 56 50.002 4.740 22.142 1.00 1.00 H new ATOM 0 HB3 LYS A 56 51.743 4.736 22.350 1.00 1.00 H new ATOM 0 HG2 LYS A 56 51.840 6.927 21.046 1.00 1.00 H new ATOM 0 HG3 LYS A 56 50.088 6.944 21.028 1.00 1.00 H new ATOM 0 HD2 LYS A 56 50.001 6.990 23.491 1.00 1.00 H new ATOM 0 HD3 LYS A 56 51.735 6.765 23.600 1.00 1.00 H new ATOM 0 HE2 LYS A 56 50.825 9.204 23.817 1.00 1.00 H new ATOM 0 HE3 LYS A 56 52.208 8.950 22.771 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 50.256 10.282 21.844 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 50.881 9.051 20.856 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 49.436 8.801 21.713 1.00 1.00 H new ATOM 857 N LYS A 57 50.047 2.618 19.135 1.00 1.00 N ATOM 858 CA LYS A 57 49.476 1.282 19.006 1.00 1.00 C ATOM 859 C LYS A 57 50.397 0.244 19.639 1.00 1.00 C ATOM 860 O LYS A 57 49.966 -0.559 20.468 1.00 1.00 O ATOM 861 CB LYS A 57 49.262 0.945 17.530 1.00 1.00 C ATOM 862 CG LYS A 57 48.465 -0.356 17.415 1.00 1.00 C ATOM 863 CD LYS A 57 48.232 -0.683 15.939 1.00 1.00 C ATOM 864 CE LYS A 57 46.754 -1.009 15.716 1.00 1.00 C ATOM 865 NZ LYS A 57 45.926 0.183 16.055 1.00 1.00 N ATOM 0 H LYS A 57 50.037 3.170 18.277 1.00 1.00 H new ATOM 0 HA LYS A 57 48.517 1.265 19.524 1.00 1.00 H new ATOM 0 HB2 LYS A 57 48.728 1.756 17.034 1.00 1.00 H new ATOM 0 HB3 LYS A 57 50.223 0.841 17.026 1.00 1.00 H new ATOM 0 HG2 LYS A 57 49.006 -1.170 17.898 1.00 1.00 H new ATOM 0 HG3 LYS A 57 47.510 -0.257 17.932 1.00 1.00 H new ATOM 0 HD2 LYS A 57 48.527 0.162 15.317 1.00 1.00 H new ATOM 0 HD3 LYS A 57 48.851 -1.529 15.641 1.00 1.00 H new ATOM 0 HE2 LYS A 57 46.587 -1.298 14.678 1.00 1.00 H new ATOM 0 HE3 LYS A 57 46.460 -1.857 16.335 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 45.157 -0.099 16.696 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 46.521 0.897 16.522 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 45.522 0.584 15.185 1.00 1.00 H new ATOM 879 N GLY A 58 51.665 0.264 19.243 1.00 1.00 N ATOM 880 CA GLY A 58 52.638 -0.682 19.778 1.00 1.00 C ATOM 881 C GLY A 58 53.589 -1.160 18.688 1.00 1.00 C ATOM 882 O GLY A 58 54.803 -0.973 18.784 1.00 1.00 O ATOM 0 H GLY A 58 52.041 0.920 18.558 1.00 1.00 H new ATOM 0 HA2 GLY A 58 53.206 -0.211 20.580 1.00 1.00 H new ATOM 0 HA3 GLY A 58 52.119 -1.536 20.213 1.00 1.00 H new ATOM 886 N HIS A 59 53.033 -1.776 17.651 1.00 1.00 N ATOM 887 CA HIS A 59 53.843 -2.277 16.547 1.00 1.00 C ATOM 888 C HIS A 59 53.070 -2.194 15.234 1.00 1.00 C ATOM 889 O HIS A 59 53.180 -1.214 14.498 1.00 1.00 O ATOM 890 CB HIS A 59 54.247 -3.728 16.812 1.00 1.00 C ATOM 891 CG HIS A 59 53.225 -4.379 17.703 1.00 1.00 C ATOM 892 ND1 HIS A 59 51.867 -4.212 17.816 1.00 1.00 N flip ATOM 893 CD2 HIS A 59 53.565 -5.347 18.634 1.00 1.00 C flip ATOM 894 CE1 HIS A 59 51.370 -5.060 18.801 1.00 1.00 C flip ATOM 895 NE2 HIS A 59 52.435 -5.722 19.261 1.00 1.00 N flip ATOM 0 H HIS A 59 52.031 -1.940 17.552 1.00 1.00 H new ATOM 0 HA HIS A 59 54.738 -1.659 16.469 1.00 1.00 H new ATOM 0 HB2 HIS A 59 54.324 -4.273 15.871 1.00 1.00 H new ATOM 0 HB3 HIS A 59 55.230 -3.763 17.282 1.00 1.00 H new ATOM 0 HD2 HIS A 59 54.557 -5.731 18.822 1.00 1.00 H new ATOM 0 HE1 HIS A 59 50.344 -5.161 19.124 1.00 1.00 H new ATOM 0 HE2 HIS A 59 52.396 -6.426 19.998 1.00 1.00 H new ATOM 903 N HIS A 60 52.288 -3.229 14.948 1.00 1.00 N ATOM 904 CA HIS A 60 51.501 -3.264 13.721 1.00 1.00 C ATOM 905 C HIS A 60 50.632 -4.517 13.675 1.00 1.00 C ATOM 906 O HIS A 60 50.563 -5.271 14.645 1.00 1.00 O ATOM 907 CB HIS A 60 52.428 -3.238 12.504 1.00 1.00 C ATOM 908 CG HIS A 60 52.095 -2.050 11.644 1.00 1.00 C ATOM 909 ND1 HIS A 60 52.175 -0.750 12.117 1.00 1.00 N ATOM 910 CD2 HIS A 60 51.681 -1.950 10.339 1.00 1.00 C ATOM 911 CE1 HIS A 60 51.817 0.071 11.112 1.00 1.00 C ATOM 912 NE2 HIS A 60 51.505 -0.609 10.006 1.00 1.00 N ATOM 0 H HIS A 60 52.182 -4.050 15.544 1.00 1.00 H new ATOM 0 HA HIS A 60 50.854 -2.387 13.703 1.00 1.00 H new ATOM 0 HB2 HIS A 60 53.468 -3.186 12.827 1.00 1.00 H new ATOM 0 HB3 HIS A 60 52.318 -4.158 11.930 1.00 1.00 H new ATOM 0 HD1 HIS A 60 52.454 -0.467 13.056 1.00 1.00 H new ATOM 0 HD2 HIS A 60 51.517 -2.784 9.672 1.00 1.00 H new ATOM 0 HE1 HIS A 60 51.786 1.148 11.191 1.00 1.00 H new ATOM 920 N HIS A 61 49.974 -4.733 12.541 1.00 1.00 N ATOM 921 CA HIS A 61 49.113 -5.899 12.380 1.00 1.00 C ATOM 922 C HIS A 61 49.949 -7.166 12.226 1.00 1.00 C ATOM 923 O HIS A 61 49.858 -8.084 13.041 1.00 1.00 O ATOM 924 CB HIS A 61 48.219 -5.723 11.152 1.00 1.00 C ATOM 925 CG HIS A 61 47.365 -6.948 10.973 1.00 1.00 C ATOM 926 ND1 HIS A 61 47.102 -8.013 11.799 1.00 1.00 N flip ATOM 927 CD2 HIS A 61 46.649 -7.188 9.810 1.00 1.00 C flip ATOM 928 CE1 HIS A 61 46.238 -8.898 11.163 1.00 1.00 C flip ATOM 929 NE2 HIS A 61 45.996 -8.353 9.968 1.00 1.00 N flip ATOM 0 H HIS A 61 50.019 -4.122 11.726 1.00 1.00 H new ATOM 0 HA HIS A 61 48.492 -5.994 13.271 1.00 1.00 H new ATOM 0 HB2 HIS A 61 47.589 -4.842 11.271 1.00 1.00 H new ATOM 0 HB3 HIS A 61 48.830 -5.560 10.264 1.00 1.00 H new ATOM 0 HD2 HIS A 61 46.621 -6.554 8.936 1.00 1.00 H new ATOM 0 HE1 HIS A 61 45.847 -9.826 11.552 1.00 1.00 H new ATOM 0 HE2 HIS A 61 45.390 -8.770 9.261 1.00 1.00 H new ATOM 937 N HIS A 62 50.764 -7.207 11.177 1.00 1.00 N ATOM 938 CA HIS A 62 51.612 -8.367 10.927 1.00 1.00 C ATOM 939 C HIS A 62 52.907 -8.265 11.726 1.00 1.00 C ATOM 940 O HIS A 62 53.071 -7.365 12.550 1.00 1.00 O ATOM 941 CB HIS A 62 51.937 -8.462 9.435 1.00 1.00 C ATOM 942 CG HIS A 62 51.281 -9.685 8.856 1.00 1.00 C ATOM 943 ND1 HIS A 62 51.419 -10.940 9.429 1.00 1.00 N ATOM 944 CD2 HIS A 62 50.479 -9.862 7.756 1.00 1.00 C ATOM 945 CE1 HIS A 62 50.717 -11.808 8.679 1.00 1.00 C ATOM 946 NE2 HIS A 62 50.124 -11.203 7.646 1.00 1.00 N ATOM 0 H HIS A 62 50.855 -6.457 10.492 1.00 1.00 H new ATOM 0 HA HIS A 62 51.075 -9.262 11.240 1.00 1.00 H new ATOM 0 HB2 HIS A 62 51.586 -7.569 8.918 1.00 1.00 H new ATOM 0 HB3 HIS A 62 53.016 -8.512 9.289 1.00 1.00 H new ATOM 0 HD2 HIS A 62 50.170 -9.079 7.079 1.00 1.00 H new ATOM 0 HE1 HIS A 62 50.642 -12.865 8.887 1.00 1.00 H new ATOM 0 HE2 HIS A 62 49.537 -11.632 6.930 1.00 1.00 H new ATOM 954 N HIS A 63 53.825 -9.194 11.478 1.00 1.00 N ATOM 955 CA HIS A 63 55.103 -9.199 12.181 1.00 1.00 C ATOM 956 C HIS A 63 56.134 -10.016 11.410 1.00 1.00 C ATOM 957 O HIS A 63 56.855 -10.829 11.989 1.00 1.00 O ATOM 958 CB HIS A 63 54.925 -9.789 13.582 1.00 1.00 C ATOM 959 CG HIS A 63 54.088 -11.035 13.499 1.00 1.00 C ATOM 960 ND1 HIS A 63 52.706 -10.991 13.390 1.00 1.00 N ATOM 961 CD2 HIS A 63 54.421 -12.366 13.509 1.00 1.00 C ATOM 962 CE1 HIS A 63 52.263 -12.261 13.338 1.00 1.00 C ATOM 963 NE2 HIS A 63 53.267 -13.139 13.407 1.00 1.00 N ATOM 0 H HIS A 63 53.709 -9.948 10.801 1.00 1.00 H new ATOM 0 HA HIS A 63 55.457 -8.171 12.262 1.00 1.00 H new ATOM 0 HB2 HIS A 63 55.897 -10.020 14.017 1.00 1.00 H new ATOM 0 HB3 HIS A 63 54.447 -9.060 14.237 1.00 1.00 H new ATOM 0 HD2 HIS A 63 55.426 -12.755 13.585 1.00 1.00 H new ATOM 0 HE1 HIS A 63 51.222 -12.536 13.251 1.00 1.00 H new ATOM 0 HE2 HIS A 63 53.202 -14.157 13.389 1.00 1.00 H new ATOM 971 N HIS A 64 56.201 -9.793 10.102 1.00 1.00 N ATOM 972 CA HIS A 64 57.150 -10.515 9.261 1.00 1.00 C ATOM 973 C HIS A 64 58.521 -10.569 9.927 1.00 1.00 C ATOM 974 O HIS A 64 59.266 -11.489 9.630 1.00 1.00 O ATOM 975 CB HIS A 64 57.268 -9.828 7.899 1.00 1.00 C ATOM 976 CG HIS A 64 56.896 -8.378 8.035 1.00 1.00 C ATOM 977 ND1 HIS A 64 57.340 -7.596 9.089 1.00 1.00 N ATOM 978 CD2 HIS A 64 56.122 -7.552 7.256 1.00 1.00 C ATOM 979 CE1 HIS A 64 56.835 -6.360 8.919 1.00 1.00 C ATOM 980 NE2 HIS A 64 56.086 -6.278 7.817 1.00 1.00 N ATOM 981 OXT HIS A 64 58.807 -9.689 10.723 1.00 1.00 O ATOM 0 H HIS A 64 55.615 -9.124 9.604 1.00 1.00 H new ATOM 0 HA HIS A 64 56.785 -11.533 9.123 1.00 1.00 H new ATOM 0 HB2 HIS A 64 58.286 -9.919 7.521 1.00 1.00 H new ATOM 0 HB3 HIS A 64 56.614 -10.316 7.176 1.00 1.00 H new ATOM 0 HD1 HIS A 64 57.941 -7.901 9.855 1.00 1.00 H new ATOM 0 HD2 HIS A 64 55.618 -7.846 6.347 1.00 1.00 H new ATOM 0 HE1 HIS A 64 57.014 -5.535 9.592 1.00 1.00 H new TER 989 HIS A 64