USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 358 hydrogens (1 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 ASN : amide:sc= 0.441 K(o=2.2,f=-0.93) USER MOD Set 1.2: A 18 LYS NZ :NH3+ -171:sc= 1.71 (180deg=0.654) USER MOD Set 2.1: A 4 SER OG : rot 180:sc= 0.726 USER MOD Set 2.2: A 6 LYS NZ :NH3+ -161:sc= 1.69 (180deg=1.33) USER MOD Single : A 1 ASP N :NH3+ -172:sc= 0.571 (180deg=0.112) USER MOD Single : A 2 GLN : amide:sc= 0.357 K(o=0.36,f=-3.8!) USER MOD Single : A 10 THR OG1 : rot 51:sc= 0.653 USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= 1.9 (180deg=1.68) USER MOD Single : A 20 GLN : amide:sc=-0.00127 X(o=-0.0013,f=-0.46) USER MOD Single : A 26 SER OG : rot 93:sc= 0.233 USER MOD Single : A 27 TYR OH : rot 149:sc= 0.718 USER MOD Single : A 28 TYR OH : rot 130:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.311 K(o=-0.31,f=-1.2) USER MOD Single : A 30 SER OG : rot -36:sc= 0.563 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 157:sc= 0.899 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0.817 (180deg=0.799) USER MOD Single : A 42 GLN : amide:sc= 0.153 X(o=0.15,f=0.029) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 76:sc= 0.00517 USER MOD Single : A 51 MET CE :methyl -171:sc= -0.0124 (180deg=-0.144) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 8.925 7.555 2.268 1.00 0.00 N ATOM 2 CA ASP A 1 8.982 6.109 2.013 1.00 0.00 C ATOM 3 C ASP A 1 8.993 5.338 3.330 1.00 0.00 C ATOM 4 O ASP A 1 9.536 5.825 4.320 1.00 0.00 O ATOM 5 CB ASP A 1 10.212 5.775 1.163 1.00 0.00 C ATOM 6 CG ASP A 1 10.389 4.278 0.937 1.00 0.00 C ATOM 7 OD1 ASP A 1 9.366 3.603 0.690 1.00 0.00 O ATOM 8 OD2 ASP A 1 11.552 3.834 1.022 1.00 0.00 O ATOM 0 H1 ASP A 1 8.782 8.060 1.370 1.00 0.00 H new ATOM 0 H2 ASP A 1 8.136 7.763 2.912 1.00 0.00 H new ATOM 0 H3 ASP A 1 9.817 7.866 2.702 1.00 0.00 H new ATOM 0 HA ASP A 1 8.093 5.808 1.458 1.00 0.00 H new ATOM 0 HB2 ASP A 1 10.127 6.275 0.198 1.00 0.00 H new ATOM 0 HB3 ASP A 1 11.103 6.171 1.651 1.00 0.00 H new ATOM 15 N GLN A 2 8.412 4.133 3.331 1.00 0.00 N ATOM 16 CA GLN A 2 8.495 3.209 4.450 1.00 0.00 C ATOM 17 C GLN A 2 9.875 2.549 4.414 1.00 0.00 C ATOM 18 O GLN A 2 10.676 2.714 5.330 1.00 0.00 O ATOM 19 CB GLN A 2 7.395 2.145 4.335 1.00 0.00 C ATOM 20 CG GLN A 2 5.972 2.708 4.401 1.00 0.00 C ATOM 21 CD GLN A 2 4.944 1.621 4.085 1.00 0.00 C ATOM 22 OE1 GLN A 2 4.098 1.797 3.211 1.00 0.00 O ATOM 23 NE2 GLN A 2 5.023 0.486 4.782 1.00 0.00 N ATOM 0 H GLN A 2 7.868 3.776 2.545 1.00 0.00 H new ATOM 0 HA GLN A 2 8.356 3.739 5.392 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.519 1.609 3.394 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.524 1.417 5.136 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.783 3.116 5.394 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.868 3.530 3.693 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.739 0.377 5.500 1.00 0.00 H new ATOM 0 HE22 GLN A 2 4.367 -0.273 4.597 1.00 0.00 H new ATOM 32 N GLU A 3 10.131 1.809 3.330 1.00 0.00 N ATOM 33 CA GLU A 3 11.381 1.123 3.029 1.00 0.00 C ATOM 34 C GLU A 3 11.427 0.826 1.528 1.00 0.00 C ATOM 35 O GLU A 3 12.451 1.019 0.875 1.00 0.00 O ATOM 36 CB GLU A 3 11.557 -0.135 3.902 1.00 0.00 C ATOM 37 CG GLU A 3 10.602 -1.309 3.623 1.00 0.00 C ATOM 38 CD GLU A 3 9.132 -0.961 3.840 1.00 0.00 C ATOM 39 OE1 GLU A 3 8.710 -0.961 5.016 1.00 0.00 O ATOM 40 OE2 GLU A 3 8.457 -0.698 2.822 1.00 0.00 O ATOM 0 H GLU A 3 9.430 1.668 2.603 1.00 0.00 H new ATOM 0 HA GLU A 3 12.228 1.763 3.275 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.580 -0.492 3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 3 11.442 0.156 4.946 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.740 -1.643 2.595 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.869 -2.146 4.269 1.00 0.00 H new ATOM 47 N SER A 4 10.284 0.392 0.989 1.00 0.00 N ATOM 48 CA SER A 4 9.950 0.382 -0.424 1.00 0.00 C ATOM 49 C SER A 4 8.421 0.418 -0.523 1.00 0.00 C ATOM 50 O SER A 4 7.823 -0.363 -1.262 1.00 0.00 O ATOM 51 CB SER A 4 10.569 -0.847 -1.100 1.00 0.00 C ATOM 52 OG SER A 4 10.164 -2.032 -0.445 1.00 0.00 O ATOM 0 H SER A 4 9.530 0.019 1.566 1.00 0.00 H new ATOM 0 HA SER A 4 10.358 1.246 -0.948 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.268 -0.883 -2.147 1.00 0.00 H new ATOM 0 HB3 SER A 4 11.656 -0.769 -1.083 1.00 0.00 H new ATOM 0 HG SER A 4 10.567 -2.806 -0.891 1.00 0.00 H new ATOM 58 N CYS A 5 7.812 1.319 0.265 1.00 0.00 N ATOM 59 CA CYS A 5 6.380 1.462 0.493 1.00 0.00 C ATOM 60 C CYS A 5 5.648 0.121 0.495 1.00 0.00 C ATOM 61 O CYS A 5 4.753 -0.100 -0.317 1.00 0.00 O ATOM 62 CB CYS A 5 5.775 2.452 -0.505 1.00 0.00 C ATOM 63 SG CYS A 5 6.048 4.201 -0.119 1.00 0.00 S ATOM 0 H CYS A 5 8.350 2.008 0.790 1.00 0.00 H new ATOM 0 HA CYS A 5 6.246 1.870 1.495 1.00 0.00 H new ATOM 0 HB2 CYS A 5 6.188 2.246 -1.492 1.00 0.00 H new ATOM 0 HB3 CYS A 5 4.701 2.273 -0.565 1.00 0.00 H new ATOM 68 N LYS A 6 6.009 -0.774 1.419 1.00 0.00 N ATOM 69 CA LYS A 6 5.296 -2.026 1.617 1.00 0.00 C ATOM 70 C LYS A 6 4.081 -1.734 2.493 1.00 0.00 C ATOM 71 O LYS A 6 4.047 -2.053 3.680 1.00 0.00 O ATOM 72 CB LYS A 6 6.236 -3.091 2.196 1.00 0.00 C ATOM 73 CG LYS A 6 7.356 -3.446 1.205 1.00 0.00 C ATOM 74 CD LYS A 6 6.852 -4.347 0.065 1.00 0.00 C ATOM 75 CE LYS A 6 7.875 -4.478 -1.065 1.00 0.00 C ATOM 76 NZ LYS A 6 7.982 -3.237 -1.853 1.00 0.00 N ATOM 0 H LYS A 6 6.803 -0.646 2.046 1.00 0.00 H new ATOM 0 HA LYS A 6 4.941 -2.440 0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.672 -2.727 3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.666 -3.988 2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.773 -2.530 0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.163 -3.950 1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.622 -5.336 0.461 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.923 -3.940 -0.334 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.850 -4.728 -0.646 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.590 -5.301 -1.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.418 -3.447 -2.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.033 -2.838 -2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.570 -2.550 -1.340 1.00 0.00 H new ATOM 90 N GLY A 7 3.097 -1.083 1.872 1.00 0.00 N ATOM 91 CA GLY A 7 1.900 -0.558 2.490 1.00 0.00 C ATOM 92 C GLY A 7 1.349 0.539 1.583 1.00 0.00 C ATOM 93 O GLY A 7 1.970 0.883 0.577 1.00 0.00 O ATOM 0 H GLY A 7 3.125 -0.903 0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.162 -1.348 2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.124 -0.159 3.479 1.00 0.00 H new ATOM 97 N ARG A 8 0.176 1.074 1.938 1.00 0.00 N ATOM 98 CA ARG A 8 -0.612 1.947 1.076 1.00 0.00 C ATOM 99 C ARG A 8 -0.097 3.390 1.068 1.00 0.00 C ATOM 100 O ARG A 8 -0.890 4.318 1.174 1.00 0.00 O ATOM 101 CB ARG A 8 -2.109 1.836 1.447 1.00 0.00 C ATOM 102 CG ARG A 8 -2.507 1.941 2.935 1.00 0.00 C ATOM 103 CD ARG A 8 -2.331 3.318 3.584 1.00 0.00 C ATOM 104 NE ARG A 8 -3.204 4.318 2.952 1.00 0.00 N ATOM 105 CZ ARG A 8 -2.938 5.626 2.795 1.00 0.00 C ATOM 106 NH1 ARG A 8 -1.822 6.176 3.293 1.00 0.00 N ATOM 107 NH2 ARG A 8 -3.798 6.395 2.113 1.00 0.00 N ATOM 0 H ARG A 8 -0.255 0.907 2.847 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.498 1.609 0.046 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.644 2.616 0.905 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.474 0.879 1.073 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.552 1.647 3.032 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.918 1.218 3.500 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.558 3.253 4.648 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.291 3.633 3.499 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.101 3.986 2.597 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.153 5.599 3.804 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.641 7.171 3.161 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.645 5.986 1.719 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.605 7.389 1.988 1.00 0.00 H new ATOM 121 N CYS A 9 1.219 3.604 0.945 1.00 0.00 N ATOM 122 CA CYS A 9 1.821 4.910 1.175 1.00 0.00 C ATOM 123 C CYS A 9 1.277 5.974 0.214 1.00 0.00 C ATOM 124 O CYS A 9 1.210 5.760 -0.995 1.00 0.00 O ATOM 125 CB CYS A 9 3.354 4.818 1.164 1.00 0.00 C ATOM 126 SG CYS A 9 4.194 5.025 -0.430 1.00 0.00 S ATOM 0 H CYS A 9 1.887 2.878 0.685 1.00 0.00 H new ATOM 0 HA CYS A 9 1.531 5.241 2.172 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.741 5.573 1.849 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.636 3.846 1.569 1.00 0.00 H new ATOM 131 N THR A 10 0.856 7.111 0.777 1.00 0.00 N ATOM 132 CA THR A 10 0.366 8.268 0.044 1.00 0.00 C ATOM 133 C THR A 10 1.162 9.476 0.516 1.00 0.00 C ATOM 134 O THR A 10 0.638 10.349 1.208 1.00 0.00 O ATOM 135 CB THR A 10 -1.145 8.437 0.256 1.00 0.00 C ATOM 136 OG1 THR A 10 -1.457 8.478 1.635 1.00 0.00 O ATOM 137 CG2 THR A 10 -1.910 7.297 -0.417 1.00 0.00 C ATOM 0 H THR A 10 0.849 7.249 1.788 1.00 0.00 H new ATOM 0 HA THR A 10 0.506 8.146 -1.030 1.00 0.00 H new ATOM 0 HB THR A 10 -1.446 9.382 -0.197 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.889 9.142 2.079 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.980 7.432 -0.257 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.700 7.299 -1.487 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.596 6.345 0.012 1.00 0.00 H new ATOM 145 N GLU A 11 2.449 9.483 0.160 1.00 0.00 N ATOM 146 CA GLU A 11 3.426 10.460 0.607 1.00 0.00 C ATOM 147 C GLU A 11 3.678 11.474 -0.504 1.00 0.00 C ATOM 148 O GLU A 11 3.779 12.670 -0.236 1.00 0.00 O ATOM 149 CB GLU A 11 4.716 9.737 1.011 1.00 0.00 C ATOM 150 CG GLU A 11 4.467 8.800 2.199 1.00 0.00 C ATOM 151 CD GLU A 11 5.756 8.117 2.640 1.00 0.00 C ATOM 152 OE1 GLU A 11 6.607 8.821 3.227 1.00 0.00 O ATOM 153 OE2 GLU A 11 5.892 6.905 2.372 1.00 0.00 O ATOM 0 H GLU A 11 2.845 8.783 -0.468 1.00 0.00 H new ATOM 0 HA GLU A 11 3.050 11.000 1.476 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.098 9.165 0.165 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.481 10.468 1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.049 9.366 3.031 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.729 8.047 1.923 1.00 0.00 H new ATOM 160 N GLY A 12 3.762 10.998 -1.750 1.00 0.00 N ATOM 161 CA GLY A 12 3.956 11.846 -2.911 1.00 0.00 C ATOM 162 C GLY A 12 2.664 12.577 -3.269 1.00 0.00 C ATOM 163 O GLY A 12 2.700 13.753 -3.627 1.00 0.00 O ATOM 0 H GLY A 12 3.696 10.005 -1.974 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.746 12.570 -2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.284 11.243 -3.757 1.00 0.00 H new ATOM 167 N PHE A 13 1.529 11.874 -3.190 1.00 0.00 N ATOM 168 CA PHE A 13 0.228 12.359 -3.627 1.00 0.00 C ATOM 169 C PHE A 13 -0.857 11.444 -3.046 1.00 0.00 C ATOM 170 O PHE A 13 -0.545 10.447 -2.398 1.00 0.00 O ATOM 171 CB PHE A 13 0.211 12.399 -5.167 1.00 0.00 C ATOM 172 CG PHE A 13 -1.063 12.916 -5.807 1.00 0.00 C ATOM 173 CD1 PHE A 13 -1.550 14.195 -5.481 1.00 0.00 C ATOM 174 CD2 PHE A 13 -1.776 12.108 -6.711 1.00 0.00 C ATOM 175 CE1 PHE A 13 -2.777 14.634 -6.004 1.00 0.00 C ATOM 176 CE2 PHE A 13 -2.995 12.554 -7.246 1.00 0.00 C ATOM 177 CZ PHE A 13 -3.504 13.811 -6.880 1.00 0.00 C ATOM 0 H PHE A 13 1.496 10.928 -2.810 1.00 0.00 H new ATOM 0 HA PHE A 13 0.032 13.370 -3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.041 13.021 -5.503 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.397 11.391 -5.538 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.980 14.839 -4.828 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.385 11.142 -6.994 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.162 15.606 -5.732 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.541 11.931 -7.939 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.454 14.144 -7.272 1.00 0.00 H new ATOM 187 N ASN A 14 -2.132 11.788 -3.267 1.00 0.00 N ATOM 188 CA ASN A 14 -3.278 11.005 -2.828 1.00 0.00 C ATOM 189 C ASN A 14 -3.264 9.609 -3.449 1.00 0.00 C ATOM 190 O ASN A 14 -3.418 8.621 -2.736 1.00 0.00 O ATOM 191 CB ASN A 14 -4.569 11.741 -3.203 1.00 0.00 C ATOM 192 CG ASN A 14 -5.809 10.910 -2.880 1.00 0.00 C ATOM 193 OD1 ASN A 14 -5.914 10.328 -1.802 1.00 0.00 O ATOM 194 ND2 ASN A 14 -6.752 10.844 -3.820 1.00 0.00 N ATOM 0 H ASN A 14 -2.394 12.638 -3.767 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.226 10.886 -1.746 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.616 12.689 -2.666 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.557 11.978 -4.267 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.597 10.296 -3.657 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.628 11.341 -4.702 1.00 0.00 H new ATOM 201 N VAL A 15 -3.108 9.535 -4.775 1.00 0.00 N ATOM 202 CA VAL A 15 -3.156 8.281 -5.512 1.00 0.00 C ATOM 203 C VAL A 15 -1.851 7.521 -5.291 1.00 0.00 C ATOM 204 O VAL A 15 -1.889 6.401 -4.787 1.00 0.00 O ATOM 205 CB VAL A 15 -3.441 8.545 -7.001 1.00 0.00 C ATOM 206 CG1 VAL A 15 -3.465 7.233 -7.794 1.00 0.00 C ATOM 207 CG2 VAL A 15 -4.798 9.240 -7.160 1.00 0.00 C ATOM 0 H VAL A 15 -2.944 10.351 -5.364 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.972 7.659 -5.144 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.646 9.183 -7.386 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.668 7.446 -8.844 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.499 6.736 -7.705 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.245 6.583 -7.398 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.991 9.423 -8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.583 8.603 -6.752 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.786 10.189 -6.624 1.00 0.00 H new ATOM 217 N ASP A 16 -0.726 8.156 -5.655 1.00 0.00 N ATOM 218 CA ASP A 16 0.653 7.749 -5.396 1.00 0.00 C ATOM 219 C ASP A 16 0.845 6.230 -5.396 1.00 0.00 C ATOM 220 O ASP A 16 1.095 5.642 -6.447 1.00 0.00 O ATOM 221 CB ASP A 16 1.121 8.425 -4.101 1.00 0.00 C ATOM 222 CG ASP A 16 2.558 8.111 -3.687 1.00 0.00 C ATOM 223 OD1 ASP A 16 3.332 7.664 -4.560 1.00 0.00 O ATOM 224 OD2 ASP A 16 2.864 8.355 -2.498 1.00 0.00 O ATOM 0 H ASP A 16 -0.766 9.032 -6.176 1.00 0.00 H new ATOM 0 HA ASP A 16 1.285 8.085 -6.218 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.020 9.504 -4.216 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.453 8.127 -3.293 1.00 0.00 H new ATOM 229 N LYS A 17 0.726 5.603 -4.220 1.00 0.00 N ATOM 230 CA LYS A 17 0.901 4.176 -4.048 1.00 0.00 C ATOM 231 C LYS A 17 -0.060 3.684 -2.966 1.00 0.00 C ATOM 232 O LYS A 17 0.347 3.044 -2.000 1.00 0.00 O ATOM 233 CB LYS A 17 2.385 3.917 -3.760 1.00 0.00 C ATOM 234 CG LYS A 17 2.782 2.440 -3.755 1.00 0.00 C ATOM 235 CD LYS A 17 4.304 2.345 -3.915 1.00 0.00 C ATOM 236 CE LYS A 17 4.822 0.907 -4.037 1.00 0.00 C ATOM 237 NZ LYS A 17 4.197 -0.006 -3.067 1.00 0.00 N ATOM 0 H LYS A 17 0.501 6.091 -3.353 1.00 0.00 H new ATOM 0 HA LYS A 17 0.650 3.606 -4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.983 4.438 -4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.635 4.351 -2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.469 1.967 -2.824 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.282 1.911 -4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.603 2.906 -4.800 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.781 2.822 -3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.634 0.542 -5.047 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.902 0.901 -3.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.676 -0.928 -3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.280 0.394 -2.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.192 -0.130 -3.304 1.00 0.00 H new ATOM 251 N LYS A 18 -1.358 3.958 -3.163 1.00 0.00 N ATOM 252 CA LYS A 18 -2.425 3.359 -2.369 1.00 0.00 C ATOM 253 C LYS A 18 -2.360 1.835 -2.469 1.00 0.00 C ATOM 254 O LYS A 18 -2.608 1.140 -1.486 1.00 0.00 O ATOM 255 CB LYS A 18 -3.797 3.810 -2.876 1.00 0.00 C ATOM 256 CG LYS A 18 -4.180 5.237 -2.481 1.00 0.00 C ATOM 257 CD LYS A 18 -5.670 5.435 -2.797 1.00 0.00 C ATOM 258 CE LYS A 18 -6.141 6.884 -2.653 1.00 0.00 C ATOM 259 NZ LYS A 18 -5.717 7.481 -1.376 1.00 0.00 N ATOM 0 H LYS A 18 -1.691 4.603 -3.880 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.291 3.679 -1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.813 3.730 -3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.555 3.125 -2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.990 5.402 -1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.575 5.959 -3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.864 5.098 -3.815 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.260 4.803 -2.134 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.746 7.477 -3.478 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.228 6.920 -2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.182 8.403 -1.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.984 6.851 -0.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.685 7.611 -1.379 1.00 0.00 H new ATOM 273 N CYS A 19 -2.041 1.324 -3.662 1.00 0.00 N ATOM 274 CA CYS A 19 -1.814 -0.090 -3.892 1.00 0.00 C ATOM 275 C CYS A 19 -1.060 -0.265 -5.203 1.00 0.00 C ATOM 276 O CYS A 19 -1.591 0.045 -6.269 1.00 0.00 O ATOM 277 CB CYS A 19 -3.129 -0.865 -3.957 1.00 0.00 C ATOM 278 SG CYS A 19 -2.881 -2.607 -4.386 1.00 0.00 S ATOM 0 H CYS A 19 -1.934 1.895 -4.500 1.00 0.00 H new ATOM 0 HA CYS A 19 -1.231 -0.484 -3.060 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.635 -0.799 -2.994 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.785 -0.402 -4.694 1.00 0.00 H new ATOM 283 N GLN A 20 0.160 -0.797 -5.115 1.00 0.00 N ATOM 284 CA GLN A 20 0.892 -1.360 -6.233 1.00 0.00 C ATOM 285 C GLN A 20 1.241 -2.798 -5.854 1.00 0.00 C ATOM 286 O GLN A 20 1.302 -3.134 -4.672 1.00 0.00 O ATOM 287 CB GLN A 20 2.125 -0.509 -6.535 1.00 0.00 C ATOM 288 CG GLN A 20 1.723 0.848 -7.132 1.00 0.00 C ATOM 289 CD GLN A 20 2.925 1.767 -7.343 1.00 0.00 C ATOM 290 OE1 GLN A 20 4.036 1.301 -7.584 1.00 0.00 O ATOM 291 NE2 GLN A 20 2.712 3.082 -7.244 1.00 0.00 N ATOM 0 H GLN A 20 0.674 -0.846 -4.235 1.00 0.00 H new ATOM 0 HA GLN A 20 0.301 -1.364 -7.149 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.697 -0.353 -5.620 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.775 -1.039 -7.231 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.219 0.688 -8.085 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.007 1.336 -6.471 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.776 3.433 -7.043 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.486 3.735 -7.370 1.00 0.00 H new ATOM 300 N CYS A 21 1.387 -3.665 -6.860 1.00 0.00 N ATOM 301 CA CYS A 21 1.269 -5.103 -6.661 1.00 0.00 C ATOM 302 C CYS A 21 2.405 -5.716 -5.834 1.00 0.00 C ATOM 303 O CYS A 21 2.263 -6.835 -5.348 1.00 0.00 O ATOM 304 CB CYS A 21 1.081 -5.816 -8.002 1.00 0.00 C ATOM 305 SG CYS A 21 0.023 -7.286 -7.915 1.00 0.00 S ATOM 0 H CYS A 21 1.588 -3.390 -7.821 1.00 0.00 H new ATOM 0 HA CYS A 21 0.376 -5.258 -6.056 1.00 0.00 H new ATOM 0 HB2 CYS A 21 0.652 -5.114 -8.718 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.058 -6.107 -8.387 1.00 0.00 H new ATOM 310 N ASP A 22 3.505 -4.978 -5.637 1.00 0.00 N ATOM 311 CA ASP A 22 4.614 -5.367 -4.777 1.00 0.00 C ATOM 312 C ASP A 22 4.190 -5.555 -3.319 1.00 0.00 C ATOM 313 O ASP A 22 4.805 -6.340 -2.599 1.00 0.00 O ATOM 314 CB ASP A 22 5.717 -4.303 -4.852 1.00 0.00 C ATOM 315 CG ASP A 22 5.236 -2.940 -4.356 1.00 0.00 C ATOM 316 OD1 ASP A 22 4.477 -2.294 -5.109 1.00 0.00 O ATOM 317 OD2 ASP A 22 5.625 -2.562 -3.229 1.00 0.00 O ATOM 0 H ASP A 22 3.645 -4.073 -6.085 1.00 0.00 H new ATOM 0 HA ASP A 22 4.981 -6.328 -5.137 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.571 -4.624 -4.256 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.063 -4.212 -5.882 1.00 0.00 H new ATOM 322 N GLU A 23 3.176 -4.804 -2.878 1.00 0.00 N ATOM 323 CA GLU A 23 2.821 -4.677 -1.475 1.00 0.00 C ATOM 324 C GLU A 23 2.364 -6.003 -0.885 1.00 0.00 C ATOM 325 O GLU A 23 1.780 -6.837 -1.570 1.00 0.00 O ATOM 326 CB GLU A 23 1.733 -3.613 -1.314 1.00 0.00 C ATOM 327 CG GLU A 23 2.302 -2.237 -1.664 1.00 0.00 C ATOM 328 CD GLU A 23 1.226 -1.163 -1.719 1.00 0.00 C ATOM 329 OE1 GLU A 23 0.292 -1.234 -0.891 1.00 0.00 O ATOM 330 OE2 GLU A 23 1.368 -0.289 -2.601 1.00 0.00 O ATOM 0 H GLU A 23 2.575 -4.263 -3.500 1.00 0.00 H new ATOM 0 HA GLU A 23 3.712 -4.371 -0.926 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.887 -3.843 -1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.359 -3.613 -0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.053 -1.958 -0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.808 -2.290 -2.628 1.00 0.00 H new ATOM 337 N LEU A 24 2.611 -6.172 0.416 1.00 0.00 N ATOM 338 CA LEU A 24 2.104 -7.290 1.195 1.00 0.00 C ATOM 339 C LEU A 24 0.580 -7.412 1.075 1.00 0.00 C ATOM 340 O LEU A 24 0.043 -8.517 1.000 1.00 0.00 O ATOM 341 CB LEU A 24 2.592 -7.194 2.650 1.00 0.00 C ATOM 342 CG LEU A 24 1.942 -6.108 3.530 1.00 0.00 C ATOM 343 CD1 LEU A 24 2.426 -6.298 4.973 1.00 0.00 C ATOM 344 CD2 LEU A 24 2.291 -4.680 3.096 1.00 0.00 C ATOM 0 H LEU A 24 3.178 -5.523 0.961 1.00 0.00 H new ATOM 0 HA LEU A 24 2.508 -8.216 0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.430 -8.160 3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.668 -7.022 2.637 1.00 0.00 H new ATOM 0 HG LEU A 24 0.862 -6.224 3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.976 -5.537 5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.135 -7.287 5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.511 -6.205 5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.800 -3.968 3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.371 -4.538 3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.951 -4.517 2.073 1.00 0.00 H new ATOM 356 N CYS A 25 -0.105 -6.264 1.015 1.00 0.00 N ATOM 357 CA CYS A 25 -1.553 -6.155 0.925 1.00 0.00 C ATOM 358 C CYS A 25 -2.094 -6.581 -0.445 1.00 0.00 C ATOM 359 O CYS A 25 -3.303 -6.720 -0.618 1.00 0.00 O ATOM 360 CB CYS A 25 -1.943 -4.715 1.245 1.00 0.00 C ATOM 361 SG CYS A 25 -3.683 -4.508 1.678 1.00 0.00 S ATOM 0 H CYS A 25 0.358 -5.355 1.029 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.001 -6.840 1.645 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -1.328 -4.357 2.071 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.716 -4.087 0.383 1.00 0.00 H new ATOM 366 N SER A 26 -1.207 -6.804 -1.421 1.00 0.00 N ATOM 367 CA SER A 26 -1.566 -7.358 -2.714 1.00 0.00 C ATOM 368 C SER A 26 -1.911 -8.841 -2.603 1.00 0.00 C ATOM 369 O SER A 26 -2.632 -9.359 -3.453 1.00 0.00 O ATOM 370 CB SER A 26 -0.396 -7.170 -3.675 1.00 0.00 C ATOM 371 OG SER A 26 0.004 -5.818 -3.648 1.00 0.00 O ATOM 0 H SER A 26 -0.212 -6.600 -1.326 1.00 0.00 H new ATOM 0 HA SER A 26 -2.447 -6.836 -3.087 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.435 -7.815 -3.388 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.688 -7.457 -4.685 1.00 0.00 H new ATOM 0 HG SER A 26 0.726 -5.703 -2.995 1.00 0.00 H new ATOM 377 N TYR A 27 -1.375 -9.526 -1.584 1.00 0.00 N ATOM 378 CA TYR A 27 -1.501 -10.966 -1.435 1.00 0.00 C ATOM 379 C TYR A 27 -2.699 -11.271 -0.537 1.00 0.00 C ATOM 380 O TYR A 27 -3.762 -11.620 -1.050 1.00 0.00 O ATOM 381 CB TYR A 27 -0.165 -11.550 -0.950 1.00 0.00 C ATOM 382 CG TYR A 27 1.041 -10.999 -1.697 1.00 0.00 C ATOM 383 CD1 TYR A 27 1.052 -10.975 -3.105 1.00 0.00 C ATOM 384 CD2 TYR A 27 2.075 -10.365 -0.986 1.00 0.00 C ATOM 385 CE1 TYR A 27 2.049 -10.260 -3.790 1.00 0.00 C ATOM 386 CE2 TYR A 27 3.073 -9.653 -1.672 1.00 0.00 C ATOM 387 CZ TYR A 27 3.043 -9.575 -3.073 1.00 0.00 C ATOM 388 OH TYR A 27 3.975 -8.835 -3.740 1.00 0.00 O ATOM 0 H TYR A 27 -0.838 -9.084 -0.838 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.706 -11.455 -2.387 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.051 -11.342 0.114 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.189 -12.634 -1.062 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.293 -11.507 -3.659 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.102 -10.426 0.092 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.051 -10.237 -4.870 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.864 -9.165 -1.121 1.00 0.00 H new ATOM 0 HH TYR A 27 4.250 -8.077 -3.183 1.00 0.00 H new ATOM 398 N TYR A 28 -2.559 -11.093 0.783 1.00 0.00 N ATOM 399 CA TYR A 28 -3.697 -11.114 1.694 1.00 0.00 C ATOM 400 C TYR A 28 -4.420 -9.776 1.563 1.00 0.00 C ATOM 401 O TYR A 28 -3.779 -8.785 1.221 1.00 0.00 O ATOM 402 CB TYR A 28 -3.237 -11.359 3.136 1.00 0.00 C ATOM 403 CG TYR A 28 -2.606 -10.156 3.809 1.00 0.00 C ATOM 404 CD1 TYR A 28 -3.416 -9.238 4.503 1.00 0.00 C ATOM 405 CD2 TYR A 28 -1.229 -9.911 3.680 1.00 0.00 C ATOM 406 CE1 TYR A 28 -2.858 -8.065 5.037 1.00 0.00 C ATOM 407 CE2 TYR A 28 -0.666 -8.757 4.246 1.00 0.00 C ATOM 408 CZ TYR A 28 -1.480 -7.826 4.910 1.00 0.00 C ATOM 409 OH TYR A 28 -0.933 -6.692 5.436 1.00 0.00 O ATOM 0 H TYR A 28 -1.661 -10.932 1.240 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.374 -11.929 1.438 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.094 -11.682 3.727 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.519 -12.179 3.140 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.471 -9.436 4.625 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.604 -10.611 3.145 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -3.487 -7.348 5.544 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.397 -8.585 4.170 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.152 -6.927 5.979 1.00 0.00 H new ATOM 419 N GLN A 29 -5.736 -9.752 1.814 1.00 0.00 N ATOM 420 CA GLN A 29 -6.621 -8.609 1.592 1.00 0.00 C ATOM 421 C GLN A 29 -6.901 -8.460 0.094 1.00 0.00 C ATOM 422 O GLN A 29 -8.062 -8.437 -0.308 1.00 0.00 O ATOM 423 CB GLN A 29 -6.082 -7.322 2.242 1.00 0.00 C ATOM 424 CG GLN A 29 -7.143 -6.221 2.386 1.00 0.00 C ATOM 425 CD GLN A 29 -7.568 -5.614 1.050 1.00 0.00 C ATOM 426 OE1 GLN A 29 -6.733 -5.321 0.198 1.00 0.00 O ATOM 427 NE2 GLN A 29 -8.874 -5.437 0.860 1.00 0.00 N ATOM 0 H GLN A 29 -6.229 -10.561 2.192 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.572 -8.796 2.090 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.682 -7.561 3.227 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.253 -6.942 1.645 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.020 -6.634 2.885 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.753 -5.432 3.028 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.535 -5.693 1.593 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.213 -5.045 -0.019 1.00 0.00 H new ATOM 436 N SER A 30 -5.838 -8.383 -0.713 1.00 0.00 N ATOM 437 CA SER A 30 -5.863 -8.408 -2.165 1.00 0.00 C ATOM 438 C SER A 30 -6.293 -7.056 -2.720 1.00 0.00 C ATOM 439 O SER A 30 -7.367 -6.924 -3.304 1.00 0.00 O ATOM 440 CB SER A 30 -6.686 -9.585 -2.706 1.00 0.00 C ATOM 441 OG SER A 30 -6.343 -10.777 -2.026 1.00 0.00 O ATOM 0 H SER A 30 -4.891 -8.297 -0.344 1.00 0.00 H new ATOM 0 HA SER A 30 -4.848 -8.582 -2.523 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.750 -9.381 -2.583 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.506 -9.703 -3.775 1.00 0.00 H new ATOM 0 HG SER A 30 -5.384 -10.775 -1.826 1.00 0.00 H new ATOM 447 N CYS A 31 -5.422 -6.055 -2.547 1.00 0.00 N ATOM 448 CA CYS A 31 -5.624 -4.728 -3.103 1.00 0.00 C ATOM 449 C CYS A 31 -5.324 -4.729 -4.603 1.00 0.00 C ATOM 450 O CYS A 31 -6.016 -4.074 -5.378 1.00 0.00 O ATOM 451 CB CYS A 31 -4.812 -3.688 -2.318 1.00 0.00 C ATOM 452 SG CYS A 31 -3.024 -3.612 -2.607 1.00 0.00 S ATOM 0 H CYS A 31 -4.557 -6.151 -2.015 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.670 -4.441 -2.998 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.228 -2.705 -2.537 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.971 -3.872 -1.256 1.00 0.00 H new ATOM 457 N CYS A 32 -4.288 -5.471 -5.014 1.00 0.00 N ATOM 458 CA CYS A 32 -3.825 -5.511 -6.391 1.00 0.00 C ATOM 459 C CYS A 32 -4.886 -6.128 -7.293 1.00 0.00 C ATOM 460 O CYS A 32 -5.455 -7.162 -6.950 1.00 0.00 O ATOM 461 CB CYS A 32 -2.521 -6.303 -6.466 1.00 0.00 C ATOM 462 SG CYS A 32 -1.877 -6.536 -8.146 1.00 0.00 S ATOM 0 H CYS A 32 -3.747 -6.065 -4.386 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.642 -4.494 -6.738 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.766 -5.792 -5.869 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.678 -7.281 -6.012 1.00 0.00 H new ATOM 467 N THR A 33 -5.141 -5.471 -8.432 1.00 0.00 N ATOM 468 CA THR A 33 -6.142 -5.821 -9.432 1.00 0.00 C ATOM 469 C THR A 33 -7.556 -5.514 -8.935 1.00 0.00 C ATOM 470 O THR A 33 -8.291 -4.785 -9.598 1.00 0.00 O ATOM 471 CB THR A 33 -5.982 -7.274 -9.914 1.00 0.00 C ATOM 472 OG1 THR A 33 -4.627 -7.525 -10.226 1.00 0.00 O ATOM 473 CG2 THR A 33 -6.830 -7.535 -11.162 1.00 0.00 C ATOM 0 H THR A 33 -4.620 -4.633 -8.689 1.00 0.00 H new ATOM 0 HA THR A 33 -5.975 -5.191 -10.306 1.00 0.00 H new ATOM 0 HB THR A 33 -6.316 -7.934 -9.113 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.528 -8.451 -10.531 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.699 -8.569 -11.482 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.880 -7.357 -10.932 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.515 -6.865 -11.962 1.00 0.00 H new ATOM 481 N ASP A 34 -7.937 -6.072 -7.780 1.00 0.00 N ATOM 482 CA ASP A 34 -9.247 -5.880 -7.188 1.00 0.00 C ATOM 483 C ASP A 34 -9.318 -4.503 -6.520 1.00 0.00 C ATOM 484 O ASP A 34 -9.560 -3.513 -7.206 1.00 0.00 O ATOM 485 CB ASP A 34 -9.553 -7.048 -6.242 1.00 0.00 C ATOM 486 CG ASP A 34 -10.872 -6.856 -5.505 1.00 0.00 C ATOM 487 OD1 ASP A 34 -11.920 -6.852 -6.184 1.00 0.00 O ATOM 488 OD2 ASP A 34 -10.810 -6.706 -4.265 1.00 0.00 O ATOM 0 H ASP A 34 -7.328 -6.677 -7.230 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.025 -5.886 -7.951 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.588 -7.976 -6.812 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.745 -7.149 -5.518 1.00 0.00 H new ATOM 493 N TYR A 35 -9.137 -4.433 -5.198 1.00 0.00 N ATOM 494 CA TYR A 35 -9.422 -3.250 -4.402 1.00 0.00 C ATOM 495 C TYR A 35 -8.266 -2.255 -4.492 1.00 0.00 C ATOM 496 O TYR A 35 -7.484 -2.102 -3.557 1.00 0.00 O ATOM 497 CB TYR A 35 -9.721 -3.714 -2.973 1.00 0.00 C ATOM 498 CG TYR A 35 -9.953 -2.612 -1.961 1.00 0.00 C ATOM 499 CD1 TYR A 35 -11.151 -1.878 -1.986 1.00 0.00 C ATOM 500 CD2 TYR A 35 -9.039 -2.425 -0.910 1.00 0.00 C ATOM 501 CE1 TYR A 35 -11.452 -0.996 -0.936 1.00 0.00 C ATOM 502 CE2 TYR A 35 -9.321 -1.507 0.110 1.00 0.00 C ATOM 503 CZ TYR A 35 -10.536 -0.806 0.109 1.00 0.00 C ATOM 504 OH TYR A 35 -10.831 0.048 1.129 1.00 0.00 O ATOM 0 H TYR A 35 -8.782 -5.214 -4.647 1.00 0.00 H new ATOM 0 HA TYR A 35 -10.294 -2.714 -4.778 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -10.603 -4.354 -2.995 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -8.890 -4.329 -2.629 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -11.839 -1.992 -2.811 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.118 -2.989 -0.889 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -12.391 -0.463 -0.933 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.602 -1.339 0.898 1.00 0.00 H new ATOM 0 HH TYR A 35 -10.306 -0.194 1.921 1.00 0.00 H new ATOM 514 N THR A 36 -8.157 -1.577 -5.637 1.00 0.00 N ATOM 515 CA THR A 36 -7.035 -0.704 -5.944 1.00 0.00 C ATOM 516 C THR A 36 -7.015 0.507 -5.009 1.00 0.00 C ATOM 517 O THR A 36 -5.951 0.902 -4.537 1.00 0.00 O ATOM 518 CB THR A 36 -7.120 -0.292 -7.419 1.00 0.00 C ATOM 519 OG1 THR A 36 -7.252 -1.453 -8.213 1.00 0.00 O ATOM 520 CG2 THR A 36 -5.869 0.473 -7.861 1.00 0.00 C ATOM 0 H THR A 36 -8.854 -1.623 -6.380 1.00 0.00 H new ATOM 0 HA THR A 36 -6.096 -1.234 -5.783 1.00 0.00 H new ATOM 0 HB THR A 36 -7.983 0.363 -7.542 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.309 -1.199 -9.158 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.964 0.749 -8.911 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.761 1.374 -7.257 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.991 -0.159 -7.730 1.00 0.00 H new ATOM 528 N ALA A 37 -8.185 1.097 -4.734 1.00 0.00 N ATOM 529 CA ALA A 37 -8.282 2.208 -3.803 1.00 0.00 C ATOM 530 C ALA A 37 -8.100 1.692 -2.379 1.00 0.00 C ATOM 531 O ALA A 37 -8.955 0.974 -1.868 1.00 0.00 O ATOM 532 CB ALA A 37 -9.614 2.935 -3.962 1.00 0.00 C ATOM 0 H ALA A 37 -9.074 0.817 -5.148 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.493 2.928 -4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.663 3.763 -3.255 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.699 3.320 -4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.432 2.242 -3.767 1.00 0.00 H new ATOM 538 N GLU A 38 -6.973 2.077 -1.768 1.00 0.00 N ATOM 539 CA GLU A 38 -6.543 1.744 -0.417 1.00 0.00 C ATOM 540 C GLU A 38 -6.203 0.260 -0.259 1.00 0.00 C ATOM 541 O GLU A 38 -6.518 -0.566 -1.112 1.00 0.00 O ATOM 542 CB GLU A 38 -7.568 2.216 0.629 1.00 0.00 C ATOM 543 CG GLU A 38 -7.699 3.746 0.668 1.00 0.00 C ATOM 544 CD GLU A 38 -6.427 4.424 1.171 1.00 0.00 C ATOM 545 OE1 GLU A 38 -5.856 3.905 2.154 1.00 0.00 O ATOM 546 OE2 GLU A 38 -6.048 5.462 0.587 1.00 0.00 O ATOM 0 H GLU A 38 -6.294 2.671 -2.244 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.616 2.288 -0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.540 1.776 0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.272 1.854 1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.933 4.114 -0.331 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.534 4.021 1.313 1.00 0.00 H new ATOM 553 N CYS A 39 -5.547 -0.056 0.862 1.00 0.00 N ATOM 554 CA CYS A 39 -5.292 -1.411 1.328 1.00 0.00 C ATOM 555 C CYS A 39 -6.317 -1.763 2.401 1.00 0.00 C ATOM 556 O CYS A 39 -6.961 -2.808 2.331 1.00 0.00 O ATOM 557 CB CYS A 39 -3.881 -1.497 1.919 1.00 0.00 C ATOM 558 SG CYS A 39 -3.611 -2.940 2.978 1.00 0.00 S ATOM 0 H CYS A 39 -5.168 0.655 1.488 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.372 -2.109 0.495 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.158 -1.517 1.104 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.685 -0.594 2.497 1.00 0.00 H new ATOM 563 N LYS A 40 -6.430 -0.894 3.413 1.00 0.00 N ATOM 564 CA LYS A 40 -7.230 -1.129 4.602 1.00 0.00 C ATOM 565 C LYS A 40 -8.695 -1.422 4.247 1.00 0.00 C ATOM 566 O LYS A 40 -9.218 -0.813 3.314 1.00 0.00 O ATOM 567 CB LYS A 40 -7.111 0.069 5.555 1.00 0.00 C ATOM 568 CG LYS A 40 -7.554 1.405 4.939 1.00 0.00 C ATOM 569 CD LYS A 40 -7.555 2.493 6.018 1.00 0.00 C ATOM 570 CE LYS A 40 -8.020 3.846 5.468 1.00 0.00 C ATOM 571 NZ LYS A 40 -7.007 4.475 4.601 1.00 0.00 N ATOM 0 H LYS A 40 -5.954 0.008 3.420 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.846 -2.015 5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.711 -0.126 6.444 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.075 0.158 5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.881 1.684 4.128 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.550 1.306 4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.208 2.191 6.837 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.551 2.595 6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.943 3.709 4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.250 4.514 6.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.322 5.430 4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.104 4.538 5.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.880 3.901 3.743 1.00 0.00 H new ATOM 585 N PRO A 41 -9.373 -2.321 4.984 1.00 0.00 N ATOM 586 CA PRO A 41 -10.799 -2.566 4.843 1.00 0.00 C ATOM 587 C PRO A 41 -11.636 -1.288 4.882 1.00 0.00 C ATOM 588 O PRO A 41 -11.247 -0.303 5.511 1.00 0.00 O ATOM 589 CB PRO A 41 -11.178 -3.490 6.001 1.00 0.00 C ATOM 590 CG PRO A 41 -9.885 -4.242 6.291 1.00 0.00 C ATOM 591 CD PRO A 41 -8.815 -3.193 6.005 1.00 0.00 C ATOM 0 HA PRO A 41 -11.004 -3.010 3.869 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.518 -2.926 6.870 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.985 -4.169 5.725 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.843 -4.592 7.322 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.774 -5.118 5.652 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.568 -2.631 6.906 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.893 -3.660 5.658 1.00 0.00 H new ATOM 599 N GLN A 42 -12.792 -1.324 4.213 1.00 0.00 N ATOM 600 CA GLN A 42 -13.742 -0.225 4.173 1.00 0.00 C ATOM 601 C GLN A 42 -15.159 -0.789 4.182 1.00 0.00 C ATOM 602 O GLN A 42 -15.928 -0.512 5.100 1.00 0.00 O ATOM 603 CB GLN A 42 -13.469 0.639 2.936 1.00 0.00 C ATOM 604 CG GLN A 42 -14.362 1.882 2.904 1.00 0.00 C ATOM 605 CD GLN A 42 -14.108 2.700 1.642 1.00 0.00 C ATOM 606 OE1 GLN A 42 -13.181 3.506 1.597 1.00 0.00 O ATOM 607 NE2 GLN A 42 -14.935 2.497 0.616 1.00 0.00 N ATOM 0 H GLN A 42 -13.093 -2.137 3.676 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.632 0.413 5.050 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.422 0.943 2.928 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.636 0.048 2.035 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -15.410 1.584 2.945 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -14.171 2.495 3.785 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -15.691 1.818 0.697 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.811 3.021 -0.250 1.00 0.00 H new ATOM 616 N VAL A 43 -15.497 -1.575 3.156 1.00 0.00 N ATOM 617 CA VAL A 43 -16.822 -2.147 2.993 1.00 0.00 C ATOM 618 C VAL A 43 -16.955 -3.372 3.897 1.00 0.00 C ATOM 619 O VAL A 43 -17.794 -3.378 4.794 1.00 0.00 O ATOM 620 CB VAL A 43 -17.084 -2.440 1.507 1.00 0.00 C ATOM 621 CG1 VAL A 43 -18.428 -3.148 1.303 1.00 0.00 C ATOM 622 CG2 VAL A 43 -17.090 -1.126 0.713 1.00 0.00 C ATOM 0 H VAL A 43 -14.847 -1.830 2.412 1.00 0.00 H new ATOM 0 HA VAL A 43 -17.593 -1.442 3.303 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.288 -3.095 1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -18.581 -3.340 0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.427 -4.093 1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -19.233 -2.515 1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.276 -1.338 -0.340 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.874 -0.473 1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.124 -0.633 0.819 1.00 0.00 H new ATOM 632 N THR A 44 -16.126 -4.398 3.673 1.00 0.00 N ATOM 633 CA THR A 44 -16.062 -5.585 4.519 1.00 0.00 C ATOM 634 C THR A 44 -14.615 -6.075 4.564 1.00 0.00 C ATOM 635 O THR A 44 -13.966 -6.012 5.606 1.00 0.00 O ATOM 636 CB THR A 44 -17.034 -6.658 3.995 1.00 0.00 C ATOM 637 OG1 THR A 44 -18.365 -6.201 4.121 1.00 0.00 O ATOM 638 CG2 THR A 44 -16.915 -7.969 4.778 1.00 0.00 C ATOM 0 H THR A 44 -15.475 -4.423 2.888 1.00 0.00 H new ATOM 0 HA THR A 44 -16.373 -5.352 5.537 1.00 0.00 H new ATOM 0 HB THR A 44 -16.776 -6.840 2.952 1.00 0.00 H new ATOM 0 HG1 THR A 44 -18.979 -6.886 3.785 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.618 -8.698 4.376 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.900 -8.356 4.688 1.00 0.00 H new ATOM 0 HG23 THR A 44 -17.142 -7.787 5.828 1.00 0.00 H new ATOM 646 N ARG A 45 -14.116 -6.548 3.420 1.00 0.00 N ATOM 647 CA ARG A 45 -12.730 -6.936 3.210 1.00 0.00 C ATOM 648 C ARG A 45 -11.901 -5.698 2.866 1.00 0.00 C ATOM 649 O ARG A 45 -10.707 -5.654 3.157 1.00 0.00 O ATOM 650 CB ARG A 45 -12.696 -7.951 2.057 1.00 0.00 C ATOM 651 CG ARG A 45 -11.276 -8.325 1.609 1.00 0.00 C ATOM 652 CD ARG A 45 -11.307 -9.450 0.568 1.00 0.00 C ATOM 653 NE ARG A 45 -12.112 -9.093 -0.608 1.00 0.00 N ATOM 654 CZ ARG A 45 -11.710 -8.340 -1.648 1.00 0.00 C ATOM 655 NH1 ARG A 45 -10.475 -7.820 -1.708 1.00 0.00 N ATOM 656 NH2 ARG A 45 -12.560 -8.103 -2.654 1.00 0.00 N ATOM 0 H ARG A 45 -14.692 -6.674 2.587 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.309 -7.386 4.109 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.221 -8.855 2.365 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.240 -7.540 1.206 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.781 -7.449 1.189 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.689 -8.639 2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.289 -9.680 0.254 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.712 -10.354 1.023 1.00 0.00 H new ATOM 0 HE ARG A 45 -13.067 -9.450 -0.639 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.812 -7.992 -0.952 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.199 -7.253 -2.510 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.503 -8.492 -2.628 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.265 -7.533 -3.447 1.00 0.00 H new ATOM 670 N GLY A 46 -12.531 -4.732 2.192 1.00 0.00 N ATOM 671 CA GLY A 46 -11.858 -3.753 1.366 1.00 0.00 C ATOM 672 C GLY A 46 -12.133 -4.233 -0.046 1.00 0.00 C ATOM 673 O GLY A 46 -11.379 -5.037 -0.590 1.00 0.00 O ATOM 0 H GLY A 46 -13.544 -4.615 2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -12.250 -2.750 1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.789 -3.717 1.577 1.00 0.00 H new ATOM 677 N ASP A 47 -13.278 -3.808 -0.583 1.00 0.00 N ATOM 678 CA ASP A 47 -13.932 -4.441 -1.712 1.00 0.00 C ATOM 679 C ASP A 47 -14.964 -3.473 -2.279 1.00 0.00 C ATOM 680 O ASP A 47 -15.370 -2.542 -1.585 1.00 0.00 O ATOM 681 CB ASP A 47 -14.593 -5.747 -1.244 1.00 0.00 C ATOM 682 CG ASP A 47 -15.570 -5.534 -0.087 1.00 0.00 C ATOM 683 OD1 ASP A 47 -15.087 -5.425 1.062 1.00 0.00 O ATOM 684 OD2 ASP A 47 -16.786 -5.488 -0.366 1.00 0.00 O ATOM 0 H ASP A 47 -13.782 -2.994 -0.231 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.211 -4.684 -2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -15.122 -6.202 -2.082 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.820 -6.450 -0.936 1.00 0.00 H new ATOM 689 N VAL A 48 -15.360 -3.694 -3.540 1.00 0.00 N ATOM 690 CA VAL A 48 -16.359 -2.932 -4.288 1.00 0.00 C ATOM 691 C VAL A 48 -15.826 -1.557 -4.700 1.00 0.00 C ATOM 692 O VAL A 48 -15.741 -1.266 -5.892 1.00 0.00 O ATOM 693 CB VAL A 48 -17.720 -2.871 -3.566 1.00 0.00 C ATOM 694 CG1 VAL A 48 -18.740 -2.084 -4.397 1.00 0.00 C ATOM 695 CG2 VAL A 48 -18.272 -4.284 -3.345 1.00 0.00 C ATOM 0 H VAL A 48 -14.966 -4.455 -4.094 1.00 0.00 H new ATOM 0 HA VAL A 48 -16.553 -3.474 -5.214 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.562 -2.376 -2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -19.693 -2.053 -3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -18.377 -1.068 -4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -18.876 -2.571 -5.363 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -19.233 -4.223 -2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -18.403 -4.778 -4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -17.573 -4.857 -2.736 1.00 0.00 H new ATOM 705 N PHE A 49 -15.480 -0.719 -3.716 1.00 0.00 N ATOM 706 CA PHE A 49 -14.903 0.601 -3.914 1.00 0.00 C ATOM 707 C PHE A 49 -13.627 0.500 -4.750 1.00 0.00 C ATOM 708 O PHE A 49 -12.582 0.083 -4.256 1.00 0.00 O ATOM 709 CB PHE A 49 -14.641 1.240 -2.546 1.00 0.00 C ATOM 710 CG PHE A 49 -13.832 2.524 -2.569 1.00 0.00 C ATOM 711 CD1 PHE A 49 -14.232 3.600 -3.381 1.00 0.00 C ATOM 712 CD2 PHE A 49 -12.706 2.665 -1.735 1.00 0.00 C ATOM 713 CE1 PHE A 49 -13.504 4.801 -3.371 1.00 0.00 C ATOM 714 CE2 PHE A 49 -11.999 3.876 -1.700 1.00 0.00 C ATOM 715 CZ PHE A 49 -12.391 4.941 -2.527 1.00 0.00 C ATOM 0 H PHE A 49 -15.601 -0.955 -2.731 1.00 0.00 H new ATOM 0 HA PHE A 49 -15.597 1.236 -4.464 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -15.600 1.444 -2.070 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -14.122 0.515 -1.919 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -15.102 3.503 -4.014 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -12.385 1.837 -1.120 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -13.801 5.617 -4.013 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -11.154 3.989 -1.037 1.00 0.00 H new ATOM 0 HZ PHE A 49 -11.836 5.868 -2.514 1.00 0.00 H new ATOM 725 N THR A 50 -13.744 0.877 -6.029 1.00 0.00 N ATOM 726 CA THR A 50 -12.684 0.807 -7.022 1.00 0.00 C ATOM 727 C THR A 50 -12.190 -0.635 -7.173 1.00 0.00 C ATOM 728 O THR A 50 -10.987 -0.896 -7.142 1.00 0.00 O ATOM 729 CB THR A 50 -11.567 1.809 -6.686 1.00 0.00 C ATOM 730 OG1 THR A 50 -12.131 3.020 -6.223 1.00 0.00 O ATOM 731 CG2 THR A 50 -10.699 2.127 -7.910 1.00 0.00 C ATOM 0 H THR A 50 -14.614 1.252 -6.407 1.00 0.00 H new ATOM 0 HA THR A 50 -13.073 1.101 -7.997 1.00 0.00 H new ATOM 0 HB THR A 50 -10.944 1.350 -5.919 1.00 0.00 H new ATOM 0 HG1 THR A 50 -12.444 2.904 -5.302 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.922 2.838 -7.630 1.00 0.00 H new ATOM 0 HG22 THR A 50 -10.237 1.210 -8.276 1.00 0.00 H new ATOM 0 HG23 THR A 50 -11.321 2.559 -8.695 1.00 0.00 H new ATOM 739 N MET A 51 -13.131 -1.571 -7.354 1.00 0.00 N ATOM 740 CA MET A 51 -12.814 -2.945 -7.705 1.00 0.00 C ATOM 741 C MET A 51 -12.340 -2.999 -9.160 1.00 0.00 C ATOM 742 O MET A 51 -12.946 -2.353 -10.013 1.00 0.00 O ATOM 743 CB MET A 51 -14.010 -3.869 -7.442 1.00 0.00 C ATOM 744 CG MET A 51 -15.216 -3.613 -8.356 1.00 0.00 C ATOM 745 SD MET A 51 -16.717 -4.533 -7.922 1.00 0.00 S ATOM 746 CE MET A 51 -16.130 -6.236 -8.111 1.00 0.00 C ATOM 0 H MET A 51 -14.130 -1.389 -7.259 1.00 0.00 H new ATOM 0 HA MET A 51 -12.004 -3.308 -7.072 1.00 0.00 H new ATOM 0 HB2 MET A 51 -13.689 -4.904 -7.564 1.00 0.00 H new ATOM 0 HB3 MET A 51 -14.323 -3.753 -6.405 1.00 0.00 H new ATOM 0 HG2 MET A 51 -15.444 -2.547 -8.341 1.00 0.00 H new ATOM 0 HG3 MET A 51 -14.937 -3.865 -9.379 1.00 0.00 H new ATOM 0 HE1 MET A 51 -16.974 -6.922 -8.036 1.00 0.00 H new ATOM 0 HE2 MET A 51 -15.654 -6.351 -9.085 1.00 0.00 H new ATOM 0 HE3 MET A 51 -15.408 -6.461 -7.326 1.00 0.00 H new TER 756 MET A 51 HETATM 757 O OH A 52 -11.242 -3.763 -9.420 1.00 0.00 O