USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 249 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 CYS SG : rot -24:sc= -21.6! USER MOD Set 1.2: A 35 CYS SG : rot -82:sc= -18.1! USER MOD Single : A 1 GLY N :NH3+ -178:sc= 0 (180deg=-0.00509) USER MOD Single : A 5 ASN : amide:sc= -0.0613 K(o=-0.061,f=-2.9!) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.584 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -5.69 K(o=-5.7,f=-11!) USER MOD Single : A 34 TYR OH : rot 180:sc= -1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.268 2.060 -1.018 1.00 51.13 N ATOM 2 CA GLY A 1 -2.136 1.162 -0.883 1.00 34.21 C ATOM 3 C GLY A 1 -1.535 0.782 -2.221 1.00 64.52 C ATOM 4 O GLY A 1 -0.315 0.798 -2.389 1.00 62.11 O ATOM 0 H1 GLY A 1 -3.622 2.317 -0.074 1.00 51.13 H new ATOM 0 H2 GLY A 1 -2.971 2.920 -1.522 1.00 51.13 H new ATOM 0 H3 GLY A 1 -4.024 1.588 -1.554 1.00 51.13 H new ATOM 0 HA2 GLY A 1 -1.372 1.636 -0.266 1.00 34.21 H new ATOM 0 HA3 GLY A 1 -2.453 0.259 -0.361 1.00 34.21 H new ATOM 8 N CYS A 2 -2.391 0.436 -3.177 1.00 12.34 N ATOM 9 CA CYS A 2 -1.938 0.048 -4.507 1.00 31.34 C ATOM 10 C CYS A 2 -2.805 0.690 -5.586 1.00 3.22 C ATOM 11 O CYS A 2 -3.122 0.063 -6.597 1.00 21.44 O ATOM 12 CB CYS A 2 -1.967 -1.475 -4.653 1.00 41.05 C ATOM 13 SG CYS A 2 -0.512 -2.317 -3.951 1.00 72.34 S ATOM 0 H CYS A 2 -3.403 0.417 -3.055 1.00 12.34 H new ATOM 0 HA CYS A 2 -0.914 0.400 -4.632 1.00 31.34 H new ATOM 0 HB2 CYS A 2 -2.865 -1.859 -4.168 1.00 41.05 H new ATOM 0 HB3 CYS A 2 -2.044 -1.727 -5.711 1.00 41.05 H new ATOM 18 N ILE A 3 -3.184 1.944 -5.364 1.00 4.24 N ATOM 19 CA ILE A 3 -4.012 2.672 -6.317 1.00 62.10 C ATOM 20 C ILE A 3 -5.227 1.849 -6.730 1.00 32.30 C ATOM 21 O ILE A 3 -5.761 2.017 -7.827 1.00 71.12 O ATOM 22 CB ILE A 3 -3.214 3.056 -7.577 1.00 51.41 C ATOM 23 CG1 ILE A 3 -1.801 3.504 -7.196 1.00 74.11 C ATOM 24 CG2 ILE A 3 -3.934 4.155 -8.345 1.00 73.53 C ATOM 25 CD1 ILE A 3 -0.963 3.930 -8.381 1.00 4.35 C ATOM 0 H ILE A 3 -2.931 2.477 -4.532 1.00 4.24 H new ATOM 0 HA ILE A 3 -4.345 3.581 -5.816 1.00 62.10 H new ATOM 0 HB ILE A 3 -3.136 2.180 -8.221 1.00 51.41 H new ATOM 0 HG12 ILE A 3 -1.869 4.333 -6.492 1.00 74.11 H new ATOM 0 HG13 ILE A 3 -1.297 2.688 -6.679 1.00 74.11 H new ATOM 0 HG21 ILE A 3 -3.358 4.416 -9.233 1.00 73.53 H new ATOM 0 HG22 ILE A 3 -4.922 3.803 -8.644 1.00 73.53 H new ATOM 0 HG23 ILE A 3 -4.039 5.034 -7.709 1.00 73.53 H new ATOM 0 HD11 ILE A 3 0.025 4.235 -8.037 1.00 4.35 H new ATOM 0 HD12 ILE A 3 -0.864 3.096 -9.076 1.00 4.35 H new ATOM 0 HD13 ILE A 3 -1.445 4.767 -8.886 1.00 4.35 H new ATOM 37 N LEU A 4 -5.661 0.959 -5.844 1.00 10.23 N ATOM 38 CA LEU A 4 -6.816 0.110 -6.115 1.00 22.04 C ATOM 39 C LEU A 4 -7.063 -0.857 -4.961 1.00 51.11 C ATOM 40 O LEU A 4 -6.127 -1.295 -4.294 1.00 60.11 O ATOM 41 CB LEU A 4 -6.606 -0.671 -7.413 1.00 52.43 C ATOM 42 CG LEU A 4 -7.633 -0.422 -8.519 1.00 2.10 C ATOM 43 CD1 LEU A 4 -6.942 -0.278 -9.866 1.00 71.32 C ATOM 44 CD2 LEU A 4 -8.656 -1.547 -8.560 1.00 32.45 C ATOM 0 H LEU A 4 -5.231 0.807 -4.932 1.00 10.23 H new ATOM 0 HA LEU A 4 -7.691 0.751 -6.221 1.00 22.04 H new ATOM 0 HB2 LEU A 4 -5.617 -0.431 -7.802 1.00 52.43 H new ATOM 0 HB3 LEU A 4 -6.606 -1.735 -7.177 1.00 52.43 H new ATOM 0 HG LEU A 4 -8.156 0.509 -8.300 1.00 2.10 H new ATOM 0 HD11 LEU A 4 -7.688 -0.101 -10.641 1.00 71.32 H new ATOM 0 HD12 LEU A 4 -6.249 0.563 -9.831 1.00 71.32 H new ATOM 0 HD13 LEU A 4 -6.393 -1.192 -10.093 1.00 71.32 H new ATOM 0 HD21 LEU A 4 -9.379 -1.353 -9.353 1.00 32.45 H new ATOM 0 HD22 LEU A 4 -8.150 -2.492 -8.754 1.00 32.45 H new ATOM 0 HD23 LEU A 4 -9.174 -1.603 -7.603 1.00 32.45 H new ATOM 56 N ASN A 5 -8.330 -1.187 -4.734 1.00 14.24 N ATOM 57 CA ASN A 5 -8.701 -2.104 -3.662 1.00 1.44 C ATOM 58 C ASN A 5 -8.086 -1.667 -2.335 1.00 53.34 C ATOM 59 O ASN A 5 -7.420 -0.635 -2.258 1.00 31.32 O ATOM 60 CB ASN A 5 -8.251 -3.526 -4.001 1.00 33.22 C ATOM 61 CG ASN A 5 -9.398 -4.397 -4.476 1.00 72.20 C ATOM 62 OD1 ASN A 5 -9.580 -5.518 -4.000 1.00 3.11 O ATOM 63 ND2 ASN A 5 -10.179 -3.884 -5.420 1.00 63.30 N ATOM 0 H ASN A 5 -9.117 -0.833 -5.278 1.00 14.24 H new ATOM 0 HA ASN A 5 -9.786 -2.087 -3.562 1.00 1.44 H new ATOM 0 HB2 ASN A 5 -7.484 -3.487 -4.774 1.00 33.22 H new ATOM 0 HB3 ASN A 5 -7.794 -3.979 -3.121 1.00 33.22 H new ATOM 0 HD21 ASN A 5 -10.967 -4.423 -5.779 1.00 63.30 H new ATOM 0 HD22 ASN A 5 -9.991 -2.951 -5.786 1.00 63.30 H new ATOM 70 N GLY A 6 -8.315 -2.460 -1.293 1.00 61.22 N ATOM 71 CA GLY A 6 -7.777 -2.139 0.016 1.00 63.23 C ATOM 72 C GLY A 6 -7.217 -3.355 0.726 1.00 25.34 C ATOM 73 O GLY A 6 -7.358 -3.492 1.942 1.00 63.13 O ATOM 0 H GLY A 6 -8.864 -3.319 -1.332 1.00 61.22 H new ATOM 0 HA2 GLY A 6 -6.992 -1.391 -0.091 1.00 63.23 H new ATOM 0 HA3 GLY A 6 -8.561 -1.693 0.628 1.00 63.23 H new ATOM 77 N ARG A 7 -6.580 -4.242 -0.033 1.00 15.43 N ATOM 78 CA ARG A 7 -6.000 -5.454 0.532 1.00 42.13 C ATOM 79 C ARG A 7 -4.495 -5.296 0.727 1.00 43.10 C ATOM 80 O ARG A 7 -4.036 -4.869 1.787 1.00 12.51 O ATOM 81 CB ARG A 7 -6.284 -6.652 -0.377 1.00 10.35 C ATOM 82 CG ARG A 7 -7.654 -7.272 -0.156 1.00 52.41 C ATOM 83 CD ARG A 7 -8.466 -7.301 -1.442 1.00 2.22 C ATOM 84 NE ARG A 7 -9.804 -7.846 -1.232 1.00 14.22 N ATOM 85 CZ ARG A 7 -10.059 -9.144 -1.110 1.00 45.11 C ATOM 86 NH1 ARG A 7 -9.070 -10.025 -1.177 1.00 34.43 N ATOM 87 NH2 ARG A 7 -11.303 -9.563 -0.921 1.00 14.42 N ATOM 0 H ARG A 7 -6.453 -4.143 -1.040 1.00 15.43 H new ATOM 0 HA ARG A 7 -6.459 -5.628 1.505 1.00 42.13 H new ATOM 0 HB2 ARG A 7 -6.201 -6.336 -1.417 1.00 10.35 H new ATOM 0 HB3 ARG A 7 -5.520 -7.412 -0.212 1.00 10.35 H new ATOM 0 HG2 ARG A 7 -7.538 -8.286 0.226 1.00 52.41 H new ATOM 0 HG3 ARG A 7 -8.193 -6.705 0.603 1.00 52.41 H new ATOM 0 HD2 ARG A 7 -8.545 -6.291 -1.844 1.00 2.22 H new ATOM 0 HD3 ARG A 7 -7.943 -7.900 -2.187 1.00 2.22 H new ATOM 0 HE ARG A 7 -10.586 -7.194 -1.176 1.00 14.22 H new ATOM 0 HH11 ARG A 7 -8.112 -9.706 -1.322 1.00 34.43 H new ATOM 0 HH12 ARG A 7 -9.267 -11.021 -1.083 1.00 34.43 H new ATOM 0 HH21 ARG A 7 -12.066 -8.888 -0.869 1.00 14.42 H new ATOM 0 HH22 ARG A 7 -11.497 -10.560 -0.828 1.00 14.42 H new ATOM 101 N THR A 8 -3.730 -5.644 -0.303 1.00 24.20 N ATOM 102 CA THR A 8 -2.277 -5.543 -0.245 1.00 1.14 C ATOM 103 C THR A 8 -1.710 -6.410 0.873 1.00 22.15 C ATOM 104 O THR A 8 -1.919 -6.132 2.054 1.00 30.14 O ATOM 105 CB THR A 8 -1.823 -4.087 -0.030 1.00 14.44 C ATOM 106 OG1 THR A 8 -2.864 -3.186 -0.426 1.00 63.01 O ATOM 107 CG2 THR A 8 -0.560 -3.791 -0.823 1.00 3.40 C ATOM 0 H THR A 8 -4.093 -5.998 -1.188 1.00 24.20 H new ATOM 0 HA THR A 8 -1.897 -5.896 -1.204 1.00 1.14 H new ATOM 0 HB THR A 8 -1.607 -3.949 1.030 1.00 14.44 H new ATOM 0 HG1 THR A 8 -2.568 -2.262 -0.285 1.00 63.01 H new ATOM 0 HG21 THR A 8 -0.259 -2.757 -0.655 1.00 3.40 H new ATOM 0 HG22 THR A 8 0.238 -4.459 -0.499 1.00 3.40 H new ATOM 0 HG23 THR A 8 -0.753 -3.945 -1.885 1.00 3.40 H new ATOM 115 N ASP A 9 -0.991 -7.461 0.494 1.00 0.20 N ATOM 116 CA ASP A 9 -0.392 -8.368 1.466 1.00 64.34 C ATOM 117 C ASP A 9 -1.438 -8.877 2.452 1.00 74.23 C ATOM 118 O ASP A 9 -1.622 -8.307 3.528 1.00 53.32 O ATOM 119 CB ASP A 9 0.739 -7.668 2.220 1.00 45.42 C ATOM 120 CG ASP A 9 1.911 -8.590 2.495 1.00 73.25 C ATOM 121 OD1 ASP A 9 1.695 -9.657 3.108 1.00 2.41 O ATOM 122 OD2 ASP A 9 3.043 -8.246 2.095 1.00 34.23 O ATOM 0 H ASP A 9 -0.809 -7.706 -0.479 1.00 0.20 H new ATOM 0 HA ASP A 9 0.016 -9.221 0.925 1.00 64.34 H new ATOM 0 HB2 ASP A 9 1.083 -6.812 1.640 1.00 45.42 H new ATOM 0 HB3 ASP A 9 0.356 -7.280 3.164 1.00 45.42 H new ATOM 127 N LEU A 10 -2.123 -9.953 2.078 1.00 43.55 N ATOM 128 CA LEU A 10 -3.153 -10.538 2.929 1.00 64.45 C ATOM 129 C LEU A 10 -2.731 -11.919 3.421 1.00 34.13 C ATOM 130 O LEU A 10 -1.594 -12.342 3.217 1.00 74.20 O ATOM 131 CB LEU A 10 -4.476 -10.638 2.167 1.00 45.20 C ATOM 132 CG LEU A 10 -4.673 -11.900 1.326 1.00 1.23 C ATOM 133 CD1 LEU A 10 -5.663 -12.839 1.997 1.00 13.34 C ATOM 134 CD2 LEU A 10 -5.143 -11.539 -0.075 1.00 41.13 C ATOM 0 H LEU A 10 -1.983 -10.437 1.191 1.00 43.55 H new ATOM 0 HA LEU A 10 -3.288 -9.889 3.794 1.00 64.45 H new ATOM 0 HB2 LEU A 10 -5.292 -10.574 2.887 1.00 45.20 H new ATOM 0 HB3 LEU A 10 -4.561 -9.772 1.511 1.00 45.20 H new ATOM 0 HG LEU A 10 -3.715 -12.413 1.245 1.00 1.23 H new ATOM 0 HD11 LEU A 10 -5.791 -13.731 1.384 1.00 13.34 H new ATOM 0 HD12 LEU A 10 -5.286 -13.124 2.979 1.00 13.34 H new ATOM 0 HD13 LEU A 10 -6.623 -12.336 2.109 1.00 13.34 H new ATOM 0 HD21 LEU A 10 -5.278 -12.449 -0.659 1.00 41.13 H new ATOM 0 HD22 LEU A 10 -6.090 -11.003 -0.014 1.00 41.13 H new ATOM 0 HD23 LEU A 10 -4.398 -10.906 -0.557 1.00 41.13 H new ATOM 146 N GLY A 11 -3.658 -12.618 4.070 1.00 24.52 N ATOM 147 CA GLY A 11 -3.364 -13.945 4.580 1.00 22.00 C ATOM 148 C GLY A 11 -2.557 -14.776 3.602 1.00 34.42 C ATOM 149 O GLY A 11 -1.328 -14.806 3.666 1.00 22.02 O ATOM 0 H GLY A 11 -4.606 -12.289 4.251 1.00 24.52 H new ATOM 0 HA2 GLY A 11 -2.815 -13.857 5.517 1.00 22.00 H new ATOM 0 HA3 GLY A 11 -4.298 -14.460 4.805 1.00 22.00 H new ATOM 153 N THR A 12 -3.250 -15.456 2.694 1.00 72.51 N ATOM 154 CA THR A 12 -2.591 -16.295 1.700 1.00 13.23 C ATOM 155 C THR A 12 -1.690 -15.466 0.793 1.00 64.14 C ATOM 156 O THR A 12 -0.537 -15.826 0.550 1.00 42.43 O ATOM 157 CB THR A 12 -3.617 -17.051 0.835 1.00 64.15 C ATOM 158 OG1 THR A 12 -4.899 -17.041 1.472 1.00 25.24 O ATOM 159 CG2 THR A 12 -3.172 -18.487 0.600 1.00 53.12 C ATOM 0 H THR A 12 -4.268 -15.442 2.626 1.00 72.51 H new ATOM 0 HA THR A 12 -1.985 -17.018 2.246 1.00 13.23 H new ATOM 0 HB THR A 12 -3.688 -16.547 -0.129 1.00 64.15 H new ATOM 0 HG1 THR A 12 -5.545 -17.522 0.914 1.00 25.24 H new ATOM 0 HG21 THR A 12 -3.912 -19.001 -0.013 1.00 53.12 H new ATOM 0 HG22 THR A 12 -2.210 -18.491 0.087 1.00 53.12 H new ATOM 0 HG23 THR A 12 -3.075 -18.999 1.557 1.00 53.12 H new ATOM 167 N LEU A 13 -2.220 -14.355 0.294 1.00 75.21 N ATOM 168 CA LEU A 13 -1.463 -13.474 -0.588 1.00 5.25 C ATOM 169 C LEU A 13 -0.172 -13.013 0.082 1.00 64.21 C ATOM 170 O LEU A 13 0.735 -12.503 -0.578 1.00 70.50 O ATOM 171 CB LEU A 13 -2.309 -12.261 -0.979 1.00 5.24 C ATOM 172 CG LEU A 13 -1.677 -11.299 -1.985 1.00 51.43 C ATOM 173 CD1 LEU A 13 -0.849 -10.243 -1.268 1.00 73.44 C ATOM 174 CD2 LEU A 13 -0.822 -12.060 -2.987 1.00 64.50 C ATOM 0 H LEU A 13 -3.172 -14.043 0.485 1.00 75.21 H new ATOM 0 HA LEU A 13 -1.205 -14.034 -1.487 1.00 5.25 H new ATOM 0 HB2 LEU A 13 -3.252 -12.619 -1.392 1.00 5.24 H new ATOM 0 HB3 LEU A 13 -2.548 -11.703 -0.074 1.00 5.24 H new ATOM 0 HG LEU A 13 -2.477 -10.796 -2.528 1.00 51.43 H new ATOM 0 HD11 LEU A 13 -0.407 -9.568 -2.001 1.00 73.44 H new ATOM 0 HD12 LEU A 13 -1.489 -9.676 -0.592 1.00 73.44 H new ATOM 0 HD13 LEU A 13 -0.057 -10.727 -0.697 1.00 73.44 H new ATOM 0 HD21 LEU A 13 -0.380 -11.359 -3.695 1.00 64.50 H new ATOM 0 HD22 LEU A 13 -0.029 -12.591 -2.460 1.00 64.50 H new ATOM 0 HD23 LEU A 13 -1.443 -12.776 -3.525 1.00 64.50 H new ATOM 186 N LEU A 14 -0.094 -13.198 1.395 1.00 0.21 N ATOM 187 CA LEU A 14 1.087 -12.803 2.155 1.00 65.44 C ATOM 188 C LEU A 14 2.362 -13.100 1.371 1.00 3.14 C ATOM 189 O LEU A 14 3.309 -12.313 1.385 1.00 21.03 O ATOM 190 CB LEU A 14 1.120 -13.532 3.499 1.00 23.12 C ATOM 191 CG LEU A 14 2.371 -13.313 4.351 1.00 12.53 C ATOM 192 CD1 LEU A 14 2.128 -12.224 5.385 1.00 32.13 C ATOM 193 CD2 LEU A 14 2.790 -14.610 5.028 1.00 53.41 C ATOM 0 H LEU A 14 -0.835 -13.619 1.956 1.00 0.21 H new ATOM 0 HA LEU A 14 1.033 -11.729 2.333 1.00 65.44 H new ATOM 0 HB2 LEU A 14 0.251 -13.222 4.079 1.00 23.12 H new ATOM 0 HB3 LEU A 14 1.014 -14.601 3.313 1.00 23.12 H new ATOM 0 HG LEU A 14 3.181 -12.991 3.697 1.00 12.53 H new ATOM 0 HD11 LEU A 14 3.029 -12.082 5.982 1.00 32.13 H new ATOM 0 HD12 LEU A 14 1.877 -11.292 4.879 1.00 32.13 H new ATOM 0 HD13 LEU A 14 1.304 -12.517 6.036 1.00 32.13 H new ATOM 0 HD21 LEU A 14 3.682 -14.435 5.630 1.00 53.41 H new ATOM 0 HD22 LEU A 14 1.983 -14.963 5.670 1.00 53.41 H new ATOM 0 HD23 LEU A 14 3.006 -15.363 4.270 1.00 53.41 H new ATOM 205 N PHE A 15 2.379 -14.239 0.687 1.00 12.02 N ATOM 206 CA PHE A 15 3.537 -14.639 -0.104 1.00 31.14 C ATOM 207 C PHE A 15 3.147 -15.675 -1.154 1.00 55.53 C ATOM 208 O PHE A 15 1.983 -16.063 -1.256 1.00 32.22 O ATOM 209 CB PHE A 15 4.630 -15.205 0.805 1.00 64.03 C ATOM 210 CG PHE A 15 5.352 -14.155 1.600 1.00 40.20 C ATOM 211 CD1 PHE A 15 6.020 -13.122 0.963 1.00 42.33 C ATOM 212 CD2 PHE A 15 5.362 -14.200 2.985 1.00 73.43 C ATOM 213 CE1 PHE A 15 6.686 -12.155 1.692 1.00 14.32 C ATOM 214 CE2 PHE A 15 6.025 -13.236 3.720 1.00 41.24 C ATOM 215 CZ PHE A 15 6.687 -12.211 3.072 1.00 30.03 C ATOM 0 H PHE A 15 1.604 -14.902 0.664 1.00 12.02 H new ATOM 0 HA PHE A 15 3.919 -13.756 -0.615 1.00 31.14 H new ATOM 0 HB2 PHE A 15 4.184 -15.926 1.491 1.00 64.03 H new ATOM 0 HB3 PHE A 15 5.352 -15.749 0.196 1.00 64.03 H new ATOM 0 HD1 PHE A 15 6.020 -13.072 -0.116 1.00 42.33 H new ATOM 0 HD2 PHE A 15 4.845 -14.999 3.496 1.00 73.43 H new ATOM 0 HE1 PHE A 15 7.205 -11.356 1.183 1.00 14.32 H new ATOM 0 HE2 PHE A 15 6.026 -13.284 4.799 1.00 41.24 H new ATOM 0 HZ PHE A 15 7.204 -11.455 3.644 1.00 30.03 H new ATOM 225 N ARG A 16 4.128 -16.116 -1.934 1.00 72.31 N ATOM 226 CA ARG A 16 3.888 -17.105 -2.978 1.00 54.14 C ATOM 227 C ARG A 16 2.650 -16.743 -3.795 1.00 22.51 C ATOM 228 O ARG A 16 1.986 -17.616 -4.354 1.00 73.24 O ATOM 229 CB ARG A 16 3.718 -18.496 -2.364 1.00 43.24 C ATOM 230 CG ARG A 16 3.816 -19.625 -3.377 1.00 43.34 C ATOM 231 CD ARG A 16 3.322 -20.940 -2.795 1.00 40.24 C ATOM 232 NE ARG A 16 1.980 -20.819 -2.231 1.00 44.23 N ATOM 233 CZ ARG A 16 1.421 -21.745 -1.460 1.00 42.41 C ATOM 234 NH1 ARG A 16 2.085 -22.853 -1.162 1.00 74.34 N ATOM 235 NH2 ARG A 16 0.196 -21.562 -0.984 1.00 70.15 N ATOM 0 H ARG A 16 5.097 -15.804 -1.863 1.00 72.31 H new ATOM 0 HA ARG A 16 4.752 -17.112 -3.642 1.00 54.14 H new ATOM 0 HB2 ARG A 16 4.479 -18.641 -1.597 1.00 43.24 H new ATOM 0 HB3 ARG A 16 2.749 -18.548 -1.867 1.00 43.24 H new ATOM 0 HG2 ARG A 16 3.230 -19.374 -4.261 1.00 43.34 H new ATOM 0 HG3 ARG A 16 4.851 -19.735 -3.702 1.00 43.34 H new ATOM 0 HD2 ARG A 16 3.321 -21.703 -3.573 1.00 40.24 H new ATOM 0 HD3 ARG A 16 4.012 -21.276 -2.021 1.00 40.24 H new ATOM 0 HE ARG A 16 1.443 -19.978 -2.441 1.00 44.23 H new ATOM 0 HH11 ARG A 16 3.027 -22.996 -1.525 1.00 74.34 H new ATOM 0 HH12 ARG A 16 1.653 -23.562 -0.570 1.00 74.34 H new ATOM 0 HH21 ARG A 16 -0.317 -20.710 -1.210 1.00 70.15 H new ATOM 0 HH22 ARG A 16 -0.233 -22.273 -0.392 1.00 70.15 H new ATOM 249 N CYS A 17 2.346 -15.451 -3.858 1.00 61.52 N ATOM 250 CA CYS A 17 1.189 -14.974 -4.605 1.00 13.53 C ATOM 251 C CYS A 17 0.677 -16.047 -5.561 1.00 43.24 C ATOM 252 O CYS A 17 1.379 -16.453 -6.488 1.00 4.33 O ATOM 253 CB CYS A 17 1.546 -13.707 -5.385 1.00 64.44 C ATOM 254 SG CYS A 17 3.013 -13.881 -6.452 1.00 73.24 S ATOM 0 H CYS A 17 2.885 -14.716 -3.401 1.00 61.52 H new ATOM 0 HA CYS A 17 0.398 -14.742 -3.892 1.00 13.53 H new ATOM 0 HB2 CYS A 17 0.694 -13.420 -6.001 1.00 64.44 H new ATOM 0 HB3 CYS A 17 1.717 -12.894 -4.679 1.00 64.44 H new ATOM 259 N ARG A 18 -0.550 -16.502 -5.330 1.00 41.42 N ATOM 260 CA ARG A 18 -1.155 -17.528 -6.170 1.00 51.03 C ATOM 261 C ARG A 18 -1.558 -16.953 -7.525 1.00 73.52 C ATOM 262 O ARG A 18 -1.906 -17.693 -8.445 1.00 74.45 O ATOM 263 CB ARG A 18 -2.378 -18.130 -5.475 1.00 62.25 C ATOM 264 CG ARG A 18 -2.585 -17.622 -4.058 1.00 40.42 C ATOM 265 CD ARG A 18 -1.461 -18.067 -3.137 1.00 25.15 C ATOM 266 NE ARG A 18 -0.634 -19.107 -3.744 1.00 40.53 N ATOM 267 CZ ARG A 18 -0.909 -20.404 -3.665 1.00 42.34 C ATOM 268 NH1 ARG A 18 -1.983 -20.818 -3.008 1.00 71.44 N ATOM 269 NH2 ARG A 18 -0.108 -21.289 -4.245 1.00 33.20 N ATOM 0 H ARG A 18 -1.145 -16.176 -4.568 1.00 41.42 H new ATOM 0 HA ARG A 18 -0.415 -18.312 -6.333 1.00 51.03 H new ATOM 0 HB2 ARG A 18 -3.267 -17.907 -6.065 1.00 62.25 H new ATOM 0 HB3 ARG A 18 -2.275 -19.215 -5.451 1.00 62.25 H new ATOM 0 HG2 ARG A 18 -2.641 -16.533 -4.065 1.00 40.42 H new ATOM 0 HG3 ARG A 18 -3.537 -17.988 -3.675 1.00 40.42 H new ATOM 0 HD2 ARG A 18 -0.837 -17.209 -2.886 1.00 25.15 H new ATOM 0 HD3 ARG A 18 -1.883 -18.439 -2.203 1.00 25.15 H new ATOM 0 HE ARG A 18 0.200 -18.821 -4.257 1.00 40.53 H new ATOM 0 HH11 ARG A 18 -2.601 -20.140 -2.562 1.00 71.44 H new ATOM 0 HH12 ARG A 18 -2.192 -21.815 -2.949 1.00 71.44 H new ATOM 0 HH21 ARG A 18 0.719 -20.973 -4.752 1.00 33.20 H new ATOM 0 HH22 ARG A 18 -0.319 -22.285 -4.184 1.00 33.20 H new ATOM 283 N ARG A 19 -1.509 -15.630 -7.639 1.00 70.34 N ATOM 284 CA ARG A 19 -1.871 -14.957 -8.881 1.00 3.32 C ATOM 285 C ARG A 19 -2.082 -13.464 -8.648 1.00 5.55 C ATOM 286 O ARG A 19 -2.508 -13.048 -7.570 1.00 54.53 O ATOM 287 CB ARG A 19 -3.139 -15.576 -9.471 1.00 40.41 C ATOM 288 CG ARG A 19 -3.680 -14.823 -10.676 1.00 13.15 C ATOM 289 CD ARG A 19 -4.128 -15.776 -11.773 1.00 14.24 C ATOM 290 NE ARG A 19 -5.494 -16.249 -11.563 1.00 10.14 N ATOM 291 CZ ARG A 19 -6.165 -16.975 -12.450 1.00 23.32 C ATOM 292 NH1 ARG A 19 -5.599 -17.311 -13.601 1.00 4.41 N ATOM 293 NH2 ARG A 19 -7.404 -17.368 -12.186 1.00 74.41 N ATOM 0 H ARG A 19 -1.222 -15.003 -6.887 1.00 70.34 H new ATOM 0 HA ARG A 19 -1.050 -15.085 -9.587 1.00 3.32 H new ATOM 0 HB2 ARG A 19 -2.930 -16.606 -9.761 1.00 40.41 H new ATOM 0 HB3 ARG A 19 -3.909 -15.612 -8.700 1.00 40.41 H new ATOM 0 HG2 ARG A 19 -4.519 -14.199 -10.370 1.00 13.15 H new ATOM 0 HG3 ARG A 19 -2.911 -14.155 -11.064 1.00 13.15 H new ATOM 0 HD2 ARG A 19 -4.063 -15.274 -12.738 1.00 14.24 H new ATOM 0 HD3 ARG A 19 -3.451 -16.629 -11.811 1.00 14.24 H new ATOM 0 HE ARG A 19 -5.958 -16.009 -10.687 1.00 10.14 H new ATOM 0 HH11 ARG A 19 -4.646 -17.012 -13.807 1.00 4.41 H new ATOM 0 HH12 ARG A 19 -6.117 -17.869 -14.280 1.00 4.41 H new ATOM 0 HH21 ARG A 19 -7.842 -17.113 -11.301 1.00 74.41 H new ATOM 0 HH22 ARG A 19 -7.918 -17.925 -12.868 1.00 74.41 H new ATOM 307 N ASP A 20 -1.779 -12.663 -9.664 1.00 10.15 N ATOM 308 CA ASP A 20 -1.936 -11.216 -9.570 1.00 22.12 C ATOM 309 C ASP A 20 -3.298 -10.854 -8.985 1.00 45.34 C ATOM 310 O ASP A 20 -3.459 -9.801 -8.369 1.00 12.41 O ATOM 311 CB ASP A 20 -1.771 -10.574 -10.948 1.00 11.50 C ATOM 312 CG ASP A 20 -2.272 -9.143 -10.983 1.00 74.25 C ATOM 313 OD1 ASP A 20 -1.947 -8.377 -10.053 1.00 1.35 O ATOM 314 OD2 ASP A 20 -2.989 -8.790 -11.943 1.00 14.03 O ATOM 0 H ASP A 20 -1.423 -12.991 -10.562 1.00 10.15 H new ATOM 0 HA ASP A 20 -1.162 -10.833 -8.905 1.00 22.12 H new ATOM 0 HB2 ASP A 20 -0.719 -10.595 -11.232 1.00 11.50 H new ATOM 0 HB3 ASP A 20 -2.312 -11.164 -11.688 1.00 11.50 H new ATOM 319 N SER A 21 -4.274 -11.733 -9.184 1.00 72.05 N ATOM 320 CA SER A 21 -5.624 -11.504 -8.682 1.00 4.55 C ATOM 321 C SER A 21 -5.608 -11.258 -7.176 1.00 4.31 C ATOM 322 O SER A 21 -6.422 -10.497 -6.651 1.00 64.52 O ATOM 323 CB SER A 21 -6.521 -12.699 -9.005 1.00 34.30 C ATOM 324 OG SER A 21 -7.851 -12.470 -8.573 1.00 33.25 O ATOM 0 H SER A 21 -4.156 -12.611 -9.690 1.00 72.05 H new ATOM 0 HA SER A 21 -6.023 -10.617 -9.174 1.00 4.55 H new ATOM 0 HB2 SER A 21 -6.511 -12.885 -10.079 1.00 34.30 H new ATOM 0 HB3 SER A 21 -6.128 -13.594 -8.523 1.00 34.30 H new ATOM 0 HG SER A 21 -8.405 -13.248 -8.793 1.00 33.25 H new ATOM 330 N ASP A 22 -4.675 -11.907 -6.487 1.00 15.41 N ATOM 331 CA ASP A 22 -4.551 -11.759 -5.041 1.00 54.24 C ATOM 332 C ASP A 22 -4.172 -10.328 -4.672 1.00 62.21 C ATOM 333 O ASP A 22 -4.322 -9.912 -3.523 1.00 3.30 O ATOM 334 CB ASP A 22 -3.507 -12.734 -4.495 1.00 51.24 C ATOM 335 CG ASP A 22 -3.771 -14.164 -4.923 1.00 70.11 C ATOM 336 OD1 ASP A 22 -4.892 -14.659 -4.680 1.00 63.31 O ATOM 337 OD2 ASP A 22 -2.857 -14.788 -5.502 1.00 33.25 O ATOM 0 H ASP A 22 -3.994 -12.540 -6.906 1.00 15.41 H new ATOM 0 HA ASP A 22 -5.518 -11.986 -4.593 1.00 54.24 H new ATOM 0 HB2 ASP A 22 -2.517 -12.432 -4.838 1.00 51.24 H new ATOM 0 HB3 ASP A 22 -3.497 -12.679 -3.406 1.00 51.24 H new ATOM 342 N CYS A 23 -3.679 -9.580 -5.653 1.00 64.24 N ATOM 343 CA CYS A 23 -3.276 -8.197 -5.432 1.00 43.45 C ATOM 344 C CYS A 23 -4.450 -7.247 -5.651 1.00 43.41 C ATOM 345 O CYS A 23 -5.290 -7.450 -6.527 1.00 75.21 O ATOM 346 CB CYS A 23 -2.123 -7.824 -6.367 1.00 1.12 C ATOM 347 SG CYS A 23 -0.865 -9.128 -6.552 1.00 63.13 S ATOM 0 H CYS A 23 -3.549 -9.909 -6.610 1.00 64.24 H new ATOM 0 HA CYS A 23 -2.942 -8.103 -4.399 1.00 43.45 H new ATOM 0 HB2 CYS A 23 -2.529 -7.584 -7.350 1.00 1.12 H new ATOM 0 HB3 CYS A 23 -1.642 -6.921 -5.991 1.00 1.12 H new ATOM 0 HG CYS A 23 -0.884 -9.901 -5.507 1.00 63.13 H new ATOM 352 N PRO A 24 -4.509 -6.183 -4.836 1.00 55.23 N ATOM 353 CA PRO A 24 -5.575 -5.180 -4.921 1.00 41.43 C ATOM 354 C PRO A 24 -5.472 -4.330 -6.183 1.00 61.14 C ATOM 355 O PRO A 24 -6.426 -4.227 -6.954 1.00 23.14 O ATOM 356 CB PRO A 24 -5.350 -4.317 -3.677 1.00 33.34 C ATOM 357 CG PRO A 24 -3.903 -4.476 -3.362 1.00 43.44 C ATOM 358 CD PRO A 24 -3.541 -5.877 -3.770 1.00 33.23 C ATOM 0 HA PRO A 24 -6.563 -5.639 -4.966 1.00 41.43 H new ATOM 0 HB2 PRO A 24 -5.601 -3.274 -3.868 1.00 33.34 H new ATOM 0 HB3 PRO A 24 -5.974 -4.648 -2.847 1.00 33.34 H new ATOM 0 HG2 PRO A 24 -3.303 -3.745 -3.904 1.00 43.44 H new ATOM 0 HG3 PRO A 24 -3.715 -4.318 -2.300 1.00 43.44 H new ATOM 0 HD2 PRO A 24 -2.514 -5.938 -4.130 1.00 33.23 H new ATOM 0 HD3 PRO A 24 -3.628 -6.574 -2.936 1.00 33.23 H new ATOM 366 N GLY A 25 -4.307 -3.723 -6.389 1.00 51.15 N ATOM 367 CA GLY A 25 -4.101 -2.890 -7.560 1.00 73.42 C ATOM 368 C GLY A 25 -2.688 -2.987 -8.099 1.00 61.23 C ATOM 369 O GLY A 25 -2.238 -4.064 -8.491 1.00 13.40 O ATOM 0 H GLY A 25 -3.502 -3.793 -5.766 1.00 51.15 H new ATOM 0 HA2 GLY A 25 -4.805 -3.183 -8.339 1.00 73.42 H new ATOM 0 HA3 GLY A 25 -4.320 -1.853 -7.307 1.00 73.42 H new ATOM 373 N ALA A 26 -1.986 -1.859 -8.121 1.00 51.12 N ATOM 374 CA ALA A 26 -0.616 -1.821 -8.616 1.00 64.21 C ATOM 375 C ALA A 26 0.096 -3.146 -8.365 1.00 35.54 C ATOM 376 O ALA A 26 0.214 -3.980 -9.263 1.00 55.14 O ATOM 377 CB ALA A 26 0.149 -0.678 -7.966 1.00 2.13 C ATOM 0 H ALA A 26 -2.344 -0.959 -7.801 1.00 51.12 H new ATOM 0 HA ALA A 26 -0.650 -1.655 -9.693 1.00 64.21 H new ATOM 0 HB1 ALA A 26 1.171 -0.662 -8.345 1.00 2.13 H new ATOM 0 HB2 ALA A 26 -0.340 0.267 -8.201 1.00 2.13 H new ATOM 0 HB3 ALA A 26 0.165 -0.819 -6.885 1.00 2.13 H new ATOM 383 N CYS A 27 0.569 -3.335 -7.137 1.00 73.13 N ATOM 384 CA CYS A 27 1.270 -4.559 -6.767 1.00 53.41 C ATOM 385 C CYS A 27 0.741 -5.750 -7.561 1.00 14.15 C ATOM 386 O CYS A 27 -0.470 -5.937 -7.686 1.00 11.14 O ATOM 387 CB CYS A 27 1.120 -4.823 -5.268 1.00 32.43 C ATOM 388 SG CYS A 27 -0.458 -4.244 -4.564 1.00 63.25 S ATOM 0 H CYS A 27 0.479 -2.656 -6.381 1.00 73.13 H new ATOM 0 HA CYS A 27 2.326 -4.429 -7.002 1.00 53.41 H new ATOM 0 HB2 CYS A 27 1.215 -5.894 -5.087 1.00 32.43 H new ATOM 0 HB3 CYS A 27 1.941 -4.337 -4.741 1.00 32.43 H new ATOM 393 N ILE A 28 1.656 -6.552 -8.094 1.00 11.03 N ATOM 394 CA ILE A 28 1.282 -7.725 -8.873 1.00 72.44 C ATOM 395 C ILE A 28 2.094 -8.946 -8.454 1.00 0.11 C ATOM 396 O ILE A 28 3.183 -8.818 -7.893 1.00 33.11 O ATOM 397 CB ILE A 28 1.479 -7.485 -10.382 1.00 32.32 C ATOM 398 CG1 ILE A 28 2.892 -6.967 -10.658 1.00 13.13 C ATOM 399 CG2 ILE A 28 0.438 -6.505 -10.902 1.00 61.35 C ATOM 400 CD1 ILE A 28 3.214 -6.846 -12.131 1.00 11.44 C ATOM 0 H ILE A 28 2.662 -6.411 -8.000 1.00 11.03 H new ATOM 0 HA ILE A 28 0.226 -7.910 -8.677 1.00 72.44 H new ATOM 0 HB ILE A 28 1.351 -8.432 -10.906 1.00 32.32 H new ATOM 0 HG12 ILE A 28 3.011 -5.991 -10.187 1.00 13.13 H new ATOM 0 HG13 ILE A 28 3.614 -7.637 -10.190 1.00 13.13 H new ATOM 0 HG21 ILE A 28 0.590 -6.345 -11.969 1.00 61.35 H new ATOM 0 HG22 ILE A 28 -0.560 -6.911 -10.734 1.00 61.35 H new ATOM 0 HG23 ILE A 28 0.537 -5.556 -10.375 1.00 61.35 H new ATOM 0 HD11 ILE A 28 4.231 -6.473 -12.252 1.00 11.44 H new ATOM 0 HD12 ILE A 28 3.128 -7.824 -12.604 1.00 11.44 H new ATOM 0 HD13 ILE A 28 2.516 -6.153 -12.600 1.00 11.44 H new ATOM 412 N CYS A 29 1.558 -10.130 -8.731 1.00 44.12 N ATOM 413 CA CYS A 29 2.233 -11.375 -8.385 1.00 30.04 C ATOM 414 C CYS A 29 3.372 -11.665 -9.357 1.00 63.54 C ATOM 415 O CYS A 29 3.140 -12.016 -10.514 1.00 61.53 O ATOM 416 CB CYS A 29 1.237 -12.537 -8.387 1.00 2.42 C ATOM 417 SG CYS A 29 2.015 -14.183 -8.443 1.00 4.23 S ATOM 0 H CYS A 29 0.658 -10.253 -9.194 1.00 44.12 H new ATOM 0 HA CYS A 29 2.652 -11.266 -7.385 1.00 30.04 H new ATOM 0 HB2 CYS A 29 0.616 -12.471 -7.494 1.00 2.42 H new ATOM 0 HB3 CYS A 29 0.573 -12.431 -9.245 1.00 2.42 H new ATOM 422 N ARG A 30 4.603 -11.517 -8.879 1.00 44.24 N ATOM 423 CA ARG A 30 5.779 -11.762 -9.706 1.00 52.02 C ATOM 424 C ARG A 30 6.599 -12.924 -9.154 1.00 61.21 C ATOM 425 O ARG A 30 6.285 -13.473 -8.099 1.00 11.02 O ATOM 426 CB ARG A 30 6.645 -10.504 -9.784 1.00 45.20 C ATOM 427 CG ARG A 30 6.058 -9.313 -9.044 1.00 62.01 C ATOM 428 CD ARG A 30 6.759 -9.082 -7.715 1.00 24.44 C ATOM 429 NE ARG A 30 7.419 -7.780 -7.662 1.00 60.53 N ATOM 430 CZ ARG A 30 8.647 -7.560 -8.117 1.00 65.32 C ATOM 431 NH1 ARG A 30 9.346 -8.550 -8.656 1.00 31.22 N ATOM 432 NH2 ARG A 30 9.180 -6.347 -8.034 1.00 75.54 N ATOM 0 H ARG A 30 4.812 -11.229 -7.923 1.00 44.24 H new ATOM 0 HA ARG A 30 5.439 -12.023 -10.708 1.00 52.02 H new ATOM 0 HB2 ARG A 30 7.630 -10.726 -9.374 1.00 45.20 H new ATOM 0 HB3 ARG A 30 6.788 -10.236 -10.831 1.00 45.20 H new ATOM 0 HG2 ARG A 30 6.145 -8.420 -9.663 1.00 62.01 H new ATOM 0 HG3 ARG A 30 4.995 -9.479 -8.872 1.00 62.01 H new ATOM 0 HD2 ARG A 30 6.033 -9.153 -6.905 1.00 24.44 H new ATOM 0 HD3 ARG A 30 7.496 -9.869 -7.553 1.00 24.44 H new ATOM 0 HE ARG A 30 6.909 -6.997 -7.253 1.00 60.53 H new ATOM 0 HH11 ARG A 30 8.941 -9.484 -8.722 1.00 31.22 H new ATOM 0 HH12 ARG A 30 10.289 -8.378 -9.005 1.00 31.22 H new ATOM 0 HH21 ARG A 30 8.646 -5.583 -7.620 1.00 75.54 H new ATOM 0 HH22 ARG A 30 10.123 -6.179 -8.384 1.00 75.54 H new ATOM 446 N GLY A 31 7.652 -13.295 -9.876 1.00 43.54 N ATOM 447 CA GLY A 31 8.501 -14.389 -9.444 1.00 33.55 C ATOM 448 C GLY A 31 9.090 -14.157 -8.066 1.00 53.03 C ATOM 449 O GLY A 31 9.571 -15.090 -7.424 1.00 53.43 O ATOM 0 H GLY A 31 7.932 -12.857 -10.753 1.00 43.54 H new ATOM 0 HA2 GLY A 31 7.923 -15.313 -9.438 1.00 33.55 H new ATOM 0 HA3 GLY A 31 9.309 -14.524 -10.163 1.00 33.55 H new ATOM 453 N ASN A 32 9.054 -12.908 -7.612 1.00 73.50 N ATOM 454 CA ASN A 32 9.590 -12.556 -6.303 1.00 4.23 C ATOM 455 C ASN A 32 8.969 -13.420 -5.209 1.00 42.24 C ATOM 456 O ASN A 32 9.466 -13.469 -4.085 1.00 64.32 O ATOM 457 CB ASN A 32 9.336 -11.077 -6.006 1.00 11.44 C ATOM 458 CG ASN A 32 8.170 -10.870 -5.058 1.00 4.53 C ATOM 459 OD1 ASN A 32 7.050 -10.590 -5.485 1.00 62.22 O ATOM 460 ND2 ASN A 32 8.430 -11.006 -3.762 1.00 50.35 N ATOM 0 H ASN A 32 8.659 -12.124 -8.131 1.00 73.50 H new ATOM 0 HA ASN A 32 10.665 -12.738 -6.318 1.00 4.23 H new ATOM 0 HB2 ASN A 32 10.235 -10.636 -5.574 1.00 11.44 H new ATOM 0 HB3 ASN A 32 9.140 -10.550 -6.940 1.00 11.44 H new ATOM 0 HD21 ASN A 32 7.686 -10.877 -3.076 1.00 50.35 H new ATOM 0 HD22 ASN A 32 9.374 -11.239 -3.453 1.00 50.35 H new ATOM 467 N GLY A 33 7.878 -14.100 -5.549 1.00 25.55 N ATOM 468 CA GLY A 33 7.207 -14.954 -4.586 1.00 3.14 C ATOM 469 C GLY A 33 6.154 -14.211 -3.788 1.00 22.04 C ATOM 470 O GLY A 33 5.925 -14.513 -2.616 1.00 61.32 O ATOM 0 H GLY A 33 7.447 -14.075 -6.473 1.00 25.55 H new ATOM 0 HA2 GLY A 33 6.741 -15.789 -5.108 1.00 3.14 H new ATOM 0 HA3 GLY A 33 7.945 -15.377 -3.904 1.00 3.14 H new ATOM 474 N TYR A 34 5.513 -13.236 -4.421 1.00 51.44 N ATOM 475 CA TYR A 34 4.481 -12.444 -3.762 1.00 21.44 C ATOM 476 C TYR A 34 3.986 -11.326 -4.673 1.00 51.13 C ATOM 477 O TYR A 34 4.626 -10.993 -5.672 1.00 34.24 O ATOM 478 CB TYR A 34 5.018 -11.854 -2.457 1.00 1.12 C ATOM 479 CG TYR A 34 4.171 -10.728 -1.908 1.00 20.22 C ATOM 480 CD1 TYR A 34 3.061 -10.991 -1.114 1.00 43.51 C ATOM 481 CD2 TYR A 34 4.481 -9.402 -2.182 1.00 43.22 C ATOM 482 CE1 TYR A 34 2.284 -9.965 -0.611 1.00 63.12 C ATOM 483 CE2 TYR A 34 3.711 -8.370 -1.682 1.00 53.23 C ATOM 484 CZ TYR A 34 2.613 -8.657 -0.898 1.00 1.42 C ATOM 485 OH TYR A 34 1.842 -7.632 -0.398 1.00 24.25 O ATOM 0 H TYR A 34 5.690 -12.974 -5.391 1.00 51.44 H new ATOM 0 HA TYR A 34 3.642 -13.102 -3.538 1.00 21.44 H new ATOM 0 HB2 TYR A 34 5.084 -12.645 -1.710 1.00 1.12 H new ATOM 0 HB3 TYR A 34 6.031 -11.488 -2.623 1.00 1.12 H new ATOM 0 HD1 TYR A 34 2.801 -12.014 -0.886 1.00 43.51 H new ATOM 0 HD2 TYR A 34 5.339 -9.174 -2.797 1.00 43.22 H new ATOM 0 HE1 TYR A 34 1.424 -10.186 0.003 1.00 63.12 H new ATOM 0 HE2 TYR A 34 3.967 -7.344 -1.904 1.00 53.23 H new ATOM 0 HH TYR A 34 2.210 -6.773 -0.692 1.00 24.25 H new ATOM 495 N CYS A 35 2.842 -10.748 -4.322 1.00 71.23 N ATOM 496 CA CYS A 35 2.259 -9.667 -5.107 1.00 15.33 C ATOM 497 C CYS A 35 3.080 -8.389 -4.967 1.00 4.55 C ATOM 498 O CYS A 35 2.663 -7.439 -4.305 1.00 52.24 O ATOM 499 CB CYS A 35 0.816 -9.410 -4.666 1.00 2.50 C ATOM 500 SG CYS A 35 -0.430 -9.805 -5.934 1.00 75.01 S ATOM 0 H CYS A 35 2.300 -11.011 -3.499 1.00 71.23 H new ATOM 0 HA CYS A 35 2.264 -9.968 -6.155 1.00 15.33 H new ATOM 0 HB2 CYS A 35 0.610 -10.000 -3.773 1.00 2.50 H new ATOM 0 HB3 CYS A 35 0.714 -8.362 -4.386 1.00 2.50 H new ATOM 0 HG CYS A 35 -0.535 -8.810 -6.764 1.00 75.01 H new ATOM 505 N GLY A 36 4.252 -8.373 -5.595 1.00 23.14 N ATOM 506 CA GLY A 36 5.114 -7.207 -5.528 1.00 23.51 C ATOM 507 C GLY A 36 4.807 -6.196 -6.614 1.00 72.13 C ATOM 508 O GLY A 36 4.507 -6.566 -7.749 1.00 63.34 O ATOM 0 H GLY A 36 4.620 -9.147 -6.149 1.00 23.14 H new ATOM 0 HA2 GLY A 36 5.003 -6.733 -4.553 1.00 23.51 H new ATOM 0 HA3 GLY A 36 6.154 -7.522 -5.613 1.00 23.51 H new TER 512 GLY A 36