USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 290 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 CYS N :NH3+ -148:sc= 0.443 (180deg=0.0822) USER MOD Single : A 3 SER OG : rot 180:sc= 0.023 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.201 K(o=-0.2,f=-2.3!) USER MOD Single : A 10 ASN : amide:sc= -0.639 K(o=-0.64,f=-15!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -45:sc= 0.699 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.81 K(o=-1.8,f=-2.3) USER MOD Single : A 24 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0969) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0564 USER MOD Single : A 33 LYS NZ :NH3+ 158:sc= -0.0228 (180deg=-0.213) USER MOD Single : A 36 ASN : amide:sc= -0.194 K(o=-0.19,f=-2.7!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 1.329 0.000 0.000 1.00 12.00 N ATOM 2 CA CYS A 1 2.094 0.000 -1.241 1.00 20.31 C ATOM 3 C CYS A 1 3.200 -1.051 -1.198 1.00 10.23 C ATOM 4 O CYS A 1 3.616 -1.485 -0.124 1.00 61.01 O ATOM 5 CB CYS A 1 2.699 1.383 -1.492 1.00 75.51 C ATOM 6 SG CYS A 1 3.601 2.069 -0.067 1.00 3.53 S ATOM 0 H1 CYS A 1 0.343 0.261 -0.200 1.00 12.00 H new ATOM 0 H2 CYS A 1 1.356 -0.949 0.425 1.00 12.00 H new ATOM 0 H3 CYS A 1 1.742 0.688 0.662 1.00 12.00 H new ATOM 0 HA CYS A 1 1.415 -0.246 -2.057 1.00 20.31 H new ATOM 0 HB2 CYS A 1 3.378 1.322 -2.343 1.00 75.51 H new ATOM 0 HB3 CYS A 1 1.901 2.072 -1.769 1.00 75.51 H new ATOM 11 N ALA A 2 3.671 -1.454 -2.373 1.00 24.31 N ATOM 12 CA ALA A 2 4.730 -2.451 -2.470 1.00 21.42 C ATOM 13 C ALA A 2 6.074 -1.868 -2.048 1.00 2.14 C ATOM 14 O ALA A 2 6.336 -0.681 -2.244 1.00 35.13 O ATOM 15 CB ALA A 2 4.812 -2.998 -3.887 1.00 71.52 C ATOM 0 H ALA A 2 3.336 -1.106 -3.271 1.00 24.31 H new ATOM 0 HA ALA A 2 4.488 -3.268 -1.790 1.00 21.42 H new ATOM 0 HB1 ALA A 2 5.607 -3.741 -3.945 1.00 71.52 H new ATOM 0 HB2 ALA A 2 3.862 -3.461 -4.154 1.00 71.52 H new ATOM 0 HB3 ALA A 2 5.026 -2.184 -4.580 1.00 71.52 H new ATOM 21 N SER A 3 6.923 -2.709 -1.466 1.00 62.44 N ATOM 22 CA SER A 3 8.239 -2.275 -1.012 1.00 62.52 C ATOM 23 C SER A 3 9.268 -2.396 -2.133 1.00 33.14 C ATOM 24 O SER A 3 8.918 -2.629 -3.290 1.00 44.11 O ATOM 25 CB SER A 3 8.684 -3.103 0.195 1.00 30.30 C ATOM 26 OG SER A 3 9.516 -2.344 1.055 1.00 34.24 O ATOM 0 H SER A 3 6.723 -3.695 -1.298 1.00 62.44 H new ATOM 0 HA SER A 3 8.168 -1.228 -0.719 1.00 62.52 H new ATOM 0 HB2 SER A 3 7.809 -3.451 0.744 1.00 30.30 H new ATOM 0 HB3 SER A 3 9.220 -3.989 -0.145 1.00 30.30 H new ATOM 0 HG SER A 3 9.786 -2.895 1.819 1.00 34.24 H new ATOM 32 N LYS A 4 10.539 -2.236 -1.780 1.00 53.21 N ATOM 33 CA LYS A 4 11.621 -2.327 -2.753 1.00 75.44 C ATOM 34 C LYS A 4 11.726 -3.740 -3.319 1.00 33.24 C ATOM 35 O LYS A 4 11.891 -4.706 -2.574 1.00 44.44 O ATOM 36 CB LYS A 4 12.949 -1.924 -2.109 1.00 71.15 C ATOM 37 CG LYS A 4 14.001 -1.480 -3.111 1.00 75.15 C ATOM 38 CD LYS A 4 15.239 -2.358 -3.046 1.00 1.21 C ATOM 39 CE LYS A 4 16.497 -1.573 -3.385 1.00 60.14 C ATOM 40 NZ LYS A 4 16.749 -1.537 -4.853 1.00 1.14 N ATOM 0 H LYS A 4 10.845 -2.043 -0.826 1.00 53.21 H new ATOM 0 HA LYS A 4 11.399 -1.642 -3.571 1.00 75.44 H new ATOM 0 HB2 LYS A 4 12.769 -1.115 -1.401 1.00 71.15 H new ATOM 0 HB3 LYS A 4 13.337 -2.767 -1.537 1.00 71.15 H new ATOM 0 HG2 LYS A 4 13.583 -1.513 -4.117 1.00 75.15 H new ATOM 0 HG3 LYS A 4 14.278 -0.444 -2.914 1.00 75.15 H new ATOM 0 HD2 LYS A 4 15.333 -2.784 -2.047 1.00 1.21 H new ATOM 0 HD3 LYS A 4 15.132 -3.192 -3.739 1.00 1.21 H new ATOM 0 HE2 LYS A 4 16.403 -0.555 -3.008 1.00 60.14 H new ATOM 0 HE3 LYS A 4 17.352 -2.022 -2.880 1.00 60.14 H new ATOM 0 HZ1 LYS A 4 17.615 -0.993 -5.043 1.00 1.14 H new ATOM 0 HZ2 LYS A 4 16.864 -2.507 -5.209 1.00 1.14 H new ATOM 0 HZ3 LYS A 4 15.944 -1.086 -5.332 1.00 1.14 H new ATOM 54 N ASN A 5 11.630 -3.853 -4.639 1.00 54.14 N ATOM 55 CA ASN A 5 11.715 -5.148 -5.304 1.00 70.22 C ATOM 56 C ASN A 5 10.573 -6.060 -4.867 1.00 31.51 C ATOM 57 O ASN A 5 10.692 -7.284 -4.911 1.00 22.33 O ATOM 58 CB ASN A 5 13.059 -5.813 -5.000 1.00 71.30 C ATOM 59 CG ASN A 5 14.124 -5.456 -6.018 1.00 44.12 C ATOM 60 OD1 ASN A 5 13.840 -4.820 -7.034 1.00 22.35 O ATOM 61 ND2 ASN A 5 15.359 -5.865 -5.750 1.00 42.54 N ATOM 0 H ASN A 5 11.493 -3.063 -5.270 1.00 54.14 H new ATOM 0 HA ASN A 5 11.633 -4.983 -6.378 1.00 70.22 H new ATOM 0 HB2 ASN A 5 13.394 -5.512 -4.007 1.00 71.30 H new ATOM 0 HB3 ASN A 5 12.929 -6.895 -4.978 1.00 71.30 H new ATOM 0 HD21 ASN A 5 16.118 -5.655 -6.398 1.00 42.54 H new ATOM 0 HD22 ASN A 5 15.549 -6.389 -4.896 1.00 42.54 H new ATOM 68 N GLU A 6 9.467 -5.455 -4.446 1.00 11.20 N ATOM 69 CA GLU A 6 8.304 -6.213 -4.001 1.00 33.13 C ATOM 70 C GLU A 6 7.334 -6.450 -5.155 1.00 63.30 C ATOM 71 O GLU A 6 7.388 -5.763 -6.175 1.00 73.54 O ATOM 72 CB GLU A 6 7.591 -5.476 -2.865 1.00 30.11 C ATOM 73 CG GLU A 6 8.103 -5.846 -1.483 1.00 64.12 C ATOM 74 CD GLU A 6 7.890 -7.311 -1.155 1.00 30.12 C ATOM 75 OE1 GLU A 6 6.769 -7.669 -0.736 1.00 43.31 O ATOM 76 OE2 GLU A 6 8.845 -8.100 -1.317 1.00 54.12 O ATOM 0 H GLU A 6 9.352 -4.442 -4.404 1.00 11.20 H new ATOM 0 HA GLU A 6 8.651 -7.180 -3.636 1.00 33.13 H new ATOM 0 HB2 GLU A 6 7.707 -4.402 -3.011 1.00 30.11 H new ATOM 0 HB3 GLU A 6 6.524 -5.691 -2.917 1.00 30.11 H new ATOM 0 HG2 GLU A 6 9.166 -5.614 -1.419 1.00 64.12 H new ATOM 0 HG3 GLU A 6 7.598 -5.233 -0.736 1.00 64.12 H new ATOM 83 N ARG A 7 6.450 -7.428 -4.986 1.00 13.42 N ATOM 84 CA ARG A 7 5.469 -7.757 -6.013 1.00 65.24 C ATOM 85 C ARG A 7 4.361 -6.709 -6.064 1.00 22.54 C ATOM 86 O ARG A 7 3.633 -6.513 -5.090 1.00 43.11 O ATOM 87 CB ARG A 7 4.868 -9.139 -5.750 1.00 40.11 C ATOM 88 CG ARG A 7 4.307 -9.302 -4.347 1.00 10.31 C ATOM 89 CD ARG A 7 2.804 -9.532 -4.371 1.00 61.22 C ATOM 90 NE ARG A 7 2.317 -10.097 -3.116 1.00 33.42 N ATOM 91 CZ ARG A 7 2.485 -11.368 -2.768 1.00 21.33 C ATOM 92 NH1 ARG A 7 3.126 -12.201 -3.576 1.00 73.32 N ATOM 93 NH2 ARG A 7 2.013 -11.808 -1.608 1.00 73.03 N ATOM 0 H ARG A 7 6.393 -8.006 -4.148 1.00 13.42 H new ATOM 0 HA ARG A 7 5.979 -7.767 -6.976 1.00 65.24 H new ATOM 0 HB2 ARG A 7 4.074 -9.324 -6.473 1.00 40.11 H new ATOM 0 HB3 ARG A 7 5.634 -9.897 -5.916 1.00 40.11 H new ATOM 0 HG2 ARG A 7 4.797 -10.141 -3.853 1.00 10.31 H new ATOM 0 HG3 ARG A 7 4.531 -8.412 -3.759 1.00 10.31 H new ATOM 0 HD2 ARG A 7 2.296 -8.587 -4.565 1.00 61.22 H new ATOM 0 HD3 ARG A 7 2.553 -10.203 -5.192 1.00 61.22 H new ATOM 0 HE ARG A 7 1.821 -9.482 -2.471 1.00 33.42 H new ATOM 0 HH11 ARG A 7 3.492 -11.867 -4.468 1.00 73.32 H new ATOM 0 HH12 ARG A 7 3.253 -13.176 -3.306 1.00 73.32 H new ATOM 0 HH21 ARG A 7 1.521 -11.170 -0.983 1.00 73.03 H new ATOM 0 HH22 ARG A 7 2.143 -12.784 -1.342 1.00 73.03 H new ATOM 107 N CYS A 8 4.239 -6.039 -7.204 1.00 44.14 N ATOM 108 CA CYS A 8 3.222 -5.011 -7.382 1.00 55.55 C ATOM 109 C CYS A 8 2.266 -5.381 -8.513 1.00 32.21 C ATOM 110 O CYS A 8 2.395 -6.439 -9.128 1.00 0.04 O ATOM 111 CB CYS A 8 3.877 -3.660 -7.677 1.00 3.15 C ATOM 112 SG CYS A 8 5.018 -3.681 -9.097 1.00 2.35 S ATOM 0 H CYS A 8 4.833 -6.190 -8.019 1.00 44.14 H new ATOM 0 HA CYS A 8 2.652 -4.937 -6.456 1.00 55.55 H new ATOM 0 HB2 CYS A 8 3.096 -2.923 -7.863 1.00 3.15 H new ATOM 0 HB3 CYS A 8 4.422 -3.331 -6.792 1.00 3.15 H new ATOM 117 N GLY A 9 1.306 -4.501 -8.781 1.00 73.34 N ATOM 118 CA GLY A 9 0.342 -4.753 -9.837 1.00 64.50 C ATOM 119 C GLY A 9 0.481 -3.783 -10.993 1.00 4.31 C ATOM 120 O GLY A 9 1.163 -2.765 -10.879 1.00 20.03 O ATOM 0 H GLY A 9 1.178 -3.618 -8.286 1.00 73.34 H new ATOM 0 HA2 GLY A 9 0.468 -5.771 -10.204 1.00 64.50 H new ATOM 0 HA3 GLY A 9 -0.666 -4.684 -9.428 1.00 64.50 H new ATOM 124 N ASN A 10 -0.166 -4.099 -12.110 1.00 45.41 N ATOM 125 CA ASN A 10 -0.109 -3.247 -13.293 1.00 21.31 C ATOM 126 C ASN A 10 -1.230 -3.595 -14.268 1.00 24.42 C ATOM 127 O ASN A 10 -1.261 -4.690 -14.828 1.00 64.54 O ATOM 128 CB ASN A 10 1.248 -3.391 -13.986 1.00 13.24 C ATOM 129 CG ASN A 10 1.481 -2.315 -15.029 1.00 74.32 C ATOM 130 OD1 ASN A 10 0.547 -1.870 -15.697 1.00 10.25 O ATOM 131 ND2 ASN A 10 2.731 -1.893 -15.175 1.00 23.34 N ATOM 0 H ASN A 10 -0.735 -4.938 -12.221 1.00 45.41 H new ATOM 0 HA ASN A 10 -0.238 -2.213 -12.972 1.00 21.31 H new ATOM 0 HB2 ASN A 10 2.041 -3.347 -13.239 1.00 13.24 H new ATOM 0 HB3 ASN A 10 1.309 -4.371 -14.459 1.00 13.24 H new ATOM 0 HD21 ASN A 10 2.949 -1.172 -15.863 1.00 23.34 H new ATOM 0 HD22 ASN A 10 3.474 -2.290 -14.600 1.00 23.34 H new ATOM 138 N ALA A 11 -2.148 -2.655 -14.465 1.00 71.31 N ATOM 139 CA ALA A 11 -3.269 -2.861 -15.374 1.00 21.21 C ATOM 140 C ALA A 11 -2.782 -3.135 -16.793 1.00 10.11 C ATOM 141 O ALA A 11 -3.411 -3.883 -17.543 1.00 10.23 O ATOM 142 CB ALA A 11 -4.193 -1.652 -15.355 1.00 22.42 C ATOM 0 H ALA A 11 -2.138 -1.743 -14.008 1.00 71.31 H new ATOM 0 HA ALA A 11 -3.825 -3.735 -15.034 1.00 21.21 H new ATOM 0 HB1 ALA A 11 -5.026 -1.820 -16.038 1.00 22.42 H new ATOM 0 HB2 ALA A 11 -4.576 -1.503 -14.346 1.00 22.42 H new ATOM 0 HB3 ALA A 11 -3.640 -0.766 -15.668 1.00 22.42 H new ATOM 148 N LEU A 12 -1.659 -2.525 -17.156 1.00 54.51 N ATOM 149 CA LEU A 12 -1.088 -2.702 -18.487 1.00 30.04 C ATOM 150 C LEU A 12 -0.746 -4.166 -18.741 1.00 62.43 C ATOM 151 O LEU A 12 -0.624 -4.595 -19.889 1.00 24.41 O ATOM 152 CB LEU A 12 0.165 -1.839 -18.644 1.00 51.34 C ATOM 153 CG LEU A 12 0.012 -0.361 -18.282 1.00 31.12 C ATOM 154 CD1 LEU A 12 1.319 0.382 -18.509 1.00 52.45 C ATOM 155 CD2 LEU A 12 -1.112 0.272 -19.089 1.00 1.51 C ATOM 0 H LEU A 12 -1.126 -1.904 -16.548 1.00 54.51 H new ATOM 0 HA LEU A 12 -1.831 -2.389 -19.220 1.00 30.04 H new ATOM 0 HB2 LEU A 12 0.955 -2.264 -18.025 1.00 51.34 H new ATOM 0 HB3 LEU A 12 0.501 -1.906 -19.679 1.00 51.34 H new ATOM 0 HG LEU A 12 -0.243 -0.290 -17.225 1.00 31.12 H new ATOM 0 HD11 LEU A 12 1.191 1.432 -18.246 1.00 52.45 H new ATOM 0 HD12 LEU A 12 2.099 -0.056 -17.886 1.00 52.45 H new ATOM 0 HD13 LEU A 12 1.605 0.303 -19.558 1.00 52.45 H new ATOM 0 HD21 LEU A 12 -1.207 1.324 -18.818 1.00 1.51 H new ATOM 0 HD22 LEU A 12 -0.887 0.190 -20.152 1.00 1.51 H new ATOM 0 HD23 LEU A 12 -2.048 -0.243 -18.875 1.00 1.51 H new ATOM 167 N TYR A 13 -0.594 -4.929 -17.664 1.00 75.13 N ATOM 168 CA TYR A 13 -0.266 -6.346 -17.771 1.00 13.31 C ATOM 169 C TYR A 13 -1.402 -7.210 -17.232 1.00 71.12 C ATOM 170 O TYR A 13 -1.197 -8.366 -16.866 1.00 35.54 O ATOM 171 CB TYR A 13 1.026 -6.650 -17.011 1.00 33.02 C ATOM 172 CG TYR A 13 2.278 -6.289 -17.777 1.00 3.23 C ATOM 173 CD1 TYR A 13 2.656 -4.962 -17.944 1.00 72.34 C ATOM 174 CD2 TYR A 13 3.085 -7.275 -18.332 1.00 50.40 C ATOM 175 CE1 TYR A 13 3.799 -4.628 -18.644 1.00 50.11 C ATOM 176 CE2 TYR A 13 4.231 -6.950 -19.032 1.00 52.41 C ATOM 177 CZ TYR A 13 4.583 -5.625 -19.186 1.00 2.12 C ATOM 178 OH TYR A 13 5.723 -5.296 -19.882 1.00 65.04 O ATOM 0 H TYR A 13 -0.693 -4.590 -16.707 1.00 75.13 H new ATOM 0 HA TYR A 13 -0.124 -6.582 -18.826 1.00 13.31 H new ATOM 0 HB2 TYR A 13 1.019 -6.106 -16.066 1.00 33.02 H new ATOM 0 HB3 TYR A 13 1.053 -7.712 -16.767 1.00 33.02 H new ATOM 0 HD1 TYR A 13 2.046 -4.179 -17.519 1.00 72.34 H new ATOM 0 HD2 TYR A 13 2.812 -8.313 -18.214 1.00 50.40 H new ATOM 0 HE1 TYR A 13 4.077 -3.592 -18.766 1.00 50.11 H new ATOM 0 HE2 TYR A 13 4.848 -7.729 -19.456 1.00 52.41 H new ATOM 0 HH TYR A 13 6.161 -6.114 -20.197 1.00 65.04 H new ATOM 188 N GLY A 14 -2.602 -6.639 -17.188 1.00 71.01 N ATOM 189 CA GLY A 14 -3.754 -7.370 -16.694 1.00 30.33 C ATOM 190 C GLY A 14 -3.515 -7.970 -15.322 1.00 60.34 C ATOM 191 O GLY A 14 -4.121 -8.981 -14.964 1.00 4.24 O ATOM 0 H GLY A 14 -2.797 -5.683 -17.486 1.00 71.01 H new ATOM 0 HA2 GLY A 14 -4.613 -6.701 -16.650 1.00 30.33 H new ATOM 0 HA3 GLY A 14 -4.005 -8.165 -17.396 1.00 30.33 H new ATOM 195 N THR A 15 -2.628 -7.348 -14.552 1.00 42.02 N ATOM 196 CA THR A 15 -2.308 -7.828 -13.214 1.00 4.11 C ATOM 197 C THR A 15 -2.843 -6.880 -12.147 1.00 44.51 C ATOM 198 O THR A 15 -2.550 -5.684 -12.161 1.00 41.31 O ATOM 199 CB THR A 15 -0.788 -7.991 -13.024 1.00 43.11 C ATOM 200 OG1 THR A 15 -0.162 -6.705 -12.956 1.00 42.24 O ATOM 201 CG2 THR A 15 -0.183 -8.795 -14.165 1.00 71.30 C ATOM 0 H THR A 15 -2.118 -6.510 -14.833 1.00 42.02 H new ATOM 0 HA THR A 15 -2.787 -8.801 -13.105 1.00 4.11 H new ATOM 0 HB THR A 15 -0.616 -8.528 -12.091 1.00 43.11 H new ATOM 0 HG1 THR A 15 -0.515 -6.131 -13.668 1.00 42.24 H new ATOM 0 HG21 THR A 15 0.891 -8.897 -14.009 1.00 71.30 H new ATOM 0 HG22 THR A 15 -0.641 -9.784 -14.196 1.00 71.30 H new ATOM 0 HG23 THR A 15 -0.365 -8.281 -15.109 1.00 71.30 H new ATOM 209 N LYS A 16 -3.628 -7.420 -11.222 1.00 31.13 N ATOM 210 CA LYS A 16 -4.203 -6.623 -10.145 1.00 12.21 C ATOM 211 C LYS A 16 -3.351 -6.717 -8.883 1.00 74.41 C ATOM 212 O LYS A 16 -3.289 -7.765 -8.242 1.00 22.41 O ATOM 213 CB LYS A 16 -5.630 -7.087 -9.845 1.00 55.34 C ATOM 214 CG LYS A 16 -6.049 -6.873 -8.401 1.00 52.41 C ATOM 215 CD LYS A 16 -7.548 -6.654 -8.282 1.00 32.34 C ATOM 216 CE LYS A 16 -8.266 -7.930 -7.867 1.00 2.41 C ATOM 217 NZ LYS A 16 -8.579 -8.795 -9.037 1.00 75.33 N ATOM 0 H LYS A 16 -3.881 -8.408 -11.196 1.00 31.13 H new ATOM 0 HA LYS A 16 -4.226 -5.583 -10.470 1.00 12.21 H new ATOM 0 HB2 LYS A 16 -6.321 -6.554 -10.498 1.00 55.34 H new ATOM 0 HB3 LYS A 16 -5.717 -8.146 -10.086 1.00 55.34 H new ATOM 0 HG2 LYS A 16 -5.758 -7.738 -7.805 1.00 52.41 H new ATOM 0 HG3 LYS A 16 -5.521 -6.012 -7.992 1.00 52.41 H new ATOM 0 HD2 LYS A 16 -7.745 -5.870 -7.551 1.00 32.34 H new ATOM 0 HD3 LYS A 16 -7.943 -6.307 -9.237 1.00 32.34 H new ATOM 0 HE2 LYS A 16 -7.645 -8.483 -7.162 1.00 2.41 H new ATOM 0 HE3 LYS A 16 -9.189 -7.675 -7.347 1.00 2.41 H new ATOM 0 HZ1 LYS A 16 -9.068 -9.654 -8.713 1.00 75.33 H new ATOM 0 HZ2 LYS A 16 -9.192 -8.276 -9.698 1.00 75.33 H new ATOM 0 HZ3 LYS A 16 -7.696 -9.060 -9.519 1.00 75.33 H new ATOM 231 N GLY A 17 -2.697 -5.614 -8.532 1.00 35.24 N ATOM 232 CA GLY A 17 -1.859 -5.594 -7.347 1.00 74.31 C ATOM 233 C GLY A 17 -1.595 -4.188 -6.847 1.00 55.22 C ATOM 234 O GLY A 17 -1.984 -3.201 -7.472 1.00 50.21 O ATOM 0 H GLY A 17 -2.732 -4.734 -9.047 1.00 35.24 H new ATOM 0 HA2 GLY A 17 -2.338 -6.173 -6.557 1.00 74.31 H new ATOM 0 HA3 GLY A 17 -0.910 -6.082 -7.569 1.00 74.31 H new ATOM 238 N PRO A 18 -0.921 -4.083 -5.693 1.00 1.24 N ATOM 239 CA PRO A 18 -0.592 -2.791 -5.083 1.00 24.12 C ATOM 240 C PRO A 18 0.459 -2.025 -5.880 1.00 12.14 C ATOM 241 O PRO A 18 1.155 -2.596 -6.717 1.00 64.33 O ATOM 242 CB PRO A 18 -0.042 -3.178 -3.707 1.00 53.24 C ATOM 243 CG PRO A 18 0.473 -4.565 -3.882 1.00 4.43 C ATOM 244 CD PRO A 18 -0.427 -5.217 -4.894 1.00 31.12 C ATOM 0 HA PRO A 18 -1.456 -2.128 -5.041 1.00 24.12 H new ATOM 0 HB2 PRO A 18 0.750 -2.498 -3.392 1.00 53.24 H new ATOM 0 HB3 PRO A 18 -0.819 -3.138 -2.944 1.00 53.24 H new ATOM 0 HG2 PRO A 18 1.507 -4.557 -4.227 1.00 4.43 H new ATOM 0 HG3 PRO A 18 0.457 -5.109 -2.938 1.00 4.43 H new ATOM 0 HD2 PRO A 18 0.114 -5.936 -5.509 1.00 31.12 H new ATOM 0 HD3 PRO A 18 -1.244 -5.758 -4.416 1.00 31.12 H new ATOM 252 N GLY A 19 0.568 -0.727 -5.612 1.00 55.14 N ATOM 253 CA GLY A 19 1.536 0.096 -6.313 1.00 11.20 C ATOM 254 C GLY A 19 2.798 0.322 -5.505 1.00 21.45 C ATOM 255 O GLY A 19 2.769 0.297 -4.274 1.00 13.43 O ATOM 0 H GLY A 19 0.003 -0.231 -4.922 1.00 55.14 H new ATOM 0 HA2 GLY A 19 1.794 -0.379 -7.259 1.00 11.20 H new ATOM 0 HA3 GLY A 19 1.084 1.059 -6.552 1.00 11.20 H new ATOM 259 N CYS A 20 3.911 0.540 -6.197 1.00 22.12 N ATOM 260 CA CYS A 20 5.191 0.768 -5.536 1.00 54.34 C ATOM 261 C CYS A 20 5.153 2.048 -4.706 1.00 23.02 C ATOM 262 O CYS A 20 4.670 3.084 -5.163 1.00 42.30 O ATOM 263 CB CYS A 20 6.315 0.851 -6.571 1.00 13.50 C ATOM 264 SG CYS A 20 6.403 -0.584 -7.690 1.00 3.45 S ATOM 0 H CYS A 20 3.953 0.564 -7.216 1.00 22.12 H new ATOM 0 HA CYS A 20 5.382 -0.072 -4.868 1.00 54.34 H new ATOM 0 HB2 CYS A 20 6.181 1.754 -7.166 1.00 13.50 H new ATOM 0 HB3 CYS A 20 7.267 0.951 -6.050 1.00 13.50 H new ATOM 269 N CYS A 21 5.667 1.968 -3.483 1.00 12.12 N ATOM 270 CA CYS A 21 5.693 3.118 -2.587 1.00 51.12 C ATOM 271 C CYS A 21 6.388 4.306 -3.247 1.00 22.42 C ATOM 272 O CYS A 21 5.849 5.411 -3.285 1.00 21.31 O ATOM 273 CB CYS A 21 6.404 2.758 -1.281 1.00 72.22 C ATOM 274 SG CYS A 21 5.509 1.545 -0.258 1.00 24.20 S ATOM 0 H CYS A 21 6.071 1.118 -3.090 1.00 12.12 H new ATOM 0 HA CYS A 21 4.663 3.399 -2.366 1.00 51.12 H new ATOM 0 HB2 CYS A 21 7.392 2.362 -1.515 1.00 72.22 H new ATOM 0 HB3 CYS A 21 6.555 3.667 -0.699 1.00 72.22 H new ATOM 279 N ASN A 22 7.589 4.068 -3.765 1.00 73.13 N ATOM 280 CA ASN A 22 8.358 5.117 -4.423 1.00 44.44 C ATOM 281 C ASN A 22 9.347 4.522 -5.422 1.00 13.42 C ATOM 282 O ASN A 22 10.405 4.023 -5.042 1.00 34.35 O ATOM 283 CB ASN A 22 9.107 5.956 -3.386 1.00 2.32 C ATOM 284 CG ASN A 22 8.168 6.712 -2.466 1.00 54.01 C ATOM 285 OD1 ASN A 22 7.343 7.505 -2.919 1.00 55.53 O ATOM 286 ND2 ASN A 22 8.289 6.468 -1.166 1.00 42.54 N ATOM 0 H ASN A 22 8.050 3.158 -3.742 1.00 73.13 H new ATOM 0 HA ASN A 22 7.662 5.757 -4.965 1.00 44.44 H new ATOM 0 HB2 ASN A 22 9.748 5.306 -2.791 1.00 2.32 H new ATOM 0 HB3 ASN A 22 9.758 6.665 -3.898 1.00 2.32 H new ATOM 0 HD21 ASN A 22 7.684 6.946 -0.499 1.00 42.54 H new ATOM 0 HD22 ASN A 22 8.987 5.802 -0.835 1.00 42.54 H new ATOM 293 N GLY A 23 8.994 4.581 -6.702 1.00 74.14 N ATOM 294 CA GLY A 23 9.860 4.045 -7.736 1.00 71.00 C ATOM 295 C GLY A 23 9.118 3.766 -9.028 1.00 15.31 C ATOM 296 O GLY A 23 8.405 4.629 -9.542 1.00 71.31 O ATOM 0 H GLY A 23 8.124 4.990 -7.042 1.00 74.14 H new ATOM 0 HA2 GLY A 23 10.668 4.750 -7.930 1.00 71.00 H new ATOM 0 HA3 GLY A 23 10.320 3.124 -7.379 1.00 71.00 H new ATOM 300 N LYS A 24 9.285 2.559 -9.556 1.00 31.41 N ATOM 301 CA LYS A 24 8.626 2.167 -10.796 1.00 51.23 C ATOM 302 C LYS A 24 8.511 0.649 -10.896 1.00 44.51 C ATOM 303 O LYS A 24 9.487 -0.072 -10.687 1.00 61.14 O ATOM 304 CB LYS A 24 9.397 2.712 -12.001 1.00 73.51 C ATOM 305 CG LYS A 24 9.095 4.168 -12.308 1.00 44.14 C ATOM 306 CD LYS A 24 9.502 4.535 -13.726 1.00 74.40 C ATOM 307 CE LYS A 24 9.254 6.007 -14.014 1.00 14.31 C ATOM 308 NZ LYS A 24 7.804 6.345 -13.970 1.00 73.51 N ATOM 0 H LYS A 24 9.872 1.834 -9.144 1.00 31.41 H new ATOM 0 HA LYS A 24 7.621 2.589 -10.794 1.00 51.23 H new ATOM 0 HB2 LYS A 24 10.466 2.602 -11.818 1.00 73.51 H new ATOM 0 HB3 LYS A 24 9.160 2.108 -12.877 1.00 73.51 H new ATOM 0 HG2 LYS A 24 8.030 4.356 -12.174 1.00 44.14 H new ATOM 0 HG3 LYS A 24 9.623 4.807 -11.600 1.00 44.14 H new ATOM 0 HD2 LYS A 24 10.558 4.307 -13.873 1.00 74.40 H new ATOM 0 HD3 LYS A 24 8.943 3.925 -14.435 1.00 74.40 H new ATOM 0 HE2 LYS A 24 9.791 6.615 -13.286 1.00 14.31 H new ATOM 0 HE3 LYS A 24 9.656 6.257 -14.996 1.00 14.31 H new ATOM 0 HZ1 LYS A 24 7.663 7.315 -14.319 1.00 73.51 H new ATOM 0 HZ2 LYS A 24 7.274 5.681 -14.570 1.00 73.51 H new ATOM 0 HZ3 LYS A 24 7.461 6.276 -12.991 1.00 73.51 H new ATOM 322 N CYS A 25 7.314 0.171 -11.218 1.00 22.12 N ATOM 323 CA CYS A 25 7.072 -1.261 -11.347 1.00 12.23 C ATOM 324 C CYS A 25 7.694 -1.805 -12.630 1.00 1.54 C ATOM 325 O CYS A 25 7.747 -1.113 -13.647 1.00 61.11 O ATOM 326 CB CYS A 25 5.569 -1.548 -11.334 1.00 61.12 C ATOM 327 SG CYS A 25 4.846 -1.651 -9.665 1.00 73.55 S ATOM 0 H CYS A 25 6.496 0.754 -11.394 1.00 22.12 H new ATOM 0 HA CYS A 25 7.538 -1.761 -10.498 1.00 12.23 H new ATOM 0 HB2 CYS A 25 5.056 -0.766 -11.893 1.00 61.12 H new ATOM 0 HB3 CYS A 25 5.385 -2.487 -11.857 1.00 61.12 H new ATOM 332 N ILE A 26 8.163 -3.046 -12.573 1.00 30.51 N ATOM 333 CA ILE A 26 8.780 -3.683 -13.730 1.00 31.11 C ATOM 334 C ILE A 26 8.157 -5.048 -14.004 1.00 13.41 C ATOM 335 O ILE A 26 8.506 -6.041 -13.366 1.00 33.32 O ATOM 336 CB ILE A 26 10.298 -3.854 -13.535 1.00 61.43 C ATOM 337 CG1 ILE A 26 10.968 -2.491 -13.356 1.00 3.31 C ATOM 338 CG2 ILE A 26 10.903 -4.597 -14.718 1.00 1.45 C ATOM 339 CD1 ILE A 26 10.780 -1.565 -14.537 1.00 13.41 C ATOM 0 H ILE A 26 8.128 -3.631 -11.738 1.00 30.51 H new ATOM 0 HA ILE A 26 8.603 -3.028 -14.583 1.00 31.11 H new ATOM 0 HB ILE A 26 10.470 -4.443 -12.634 1.00 61.43 H new ATOM 0 HG12 ILE A 26 10.567 -2.013 -12.462 1.00 3.31 H new ATOM 0 HG13 ILE A 26 12.035 -2.639 -13.187 1.00 3.31 H new ATOM 0 HG21 ILE A 26 11.976 -4.710 -14.566 1.00 1.45 H new ATOM 0 HG22 ILE A 26 10.443 -5.581 -14.803 1.00 1.45 H new ATOM 0 HG23 ILE A 26 10.724 -4.032 -15.633 1.00 1.45 H new ATOM 0 HD11 ILE A 26 11.282 -0.618 -14.340 1.00 13.41 H new ATOM 0 HD12 ILE A 26 11.207 -2.023 -15.430 1.00 13.41 H new ATOM 0 HD13 ILE A 26 9.716 -1.387 -14.694 1.00 13.41 H new ATOM 351 N CYS A 27 7.233 -5.089 -14.958 1.00 62.24 N ATOM 352 CA CYS A 27 6.561 -6.332 -15.319 1.00 43.44 C ATOM 353 C CYS A 27 7.392 -7.128 -16.321 1.00 24.52 C ATOM 354 O CYS A 27 7.921 -6.574 -17.285 1.00 30.23 O ATOM 355 CB CYS A 27 5.180 -6.037 -15.907 1.00 12.40 C ATOM 356 SG CYS A 27 3.917 -5.617 -14.663 1.00 51.30 S ATOM 0 H CYS A 27 6.932 -4.276 -15.495 1.00 62.24 H new ATOM 0 HA CYS A 27 6.444 -6.929 -14.414 1.00 43.44 H new ATOM 0 HB2 CYS A 27 5.267 -5.212 -16.614 1.00 12.40 H new ATOM 0 HB3 CYS A 27 4.844 -6.907 -16.471 1.00 12.40 H new ATOM 361 N ARG A 28 7.503 -8.432 -16.085 1.00 51.33 N ATOM 362 CA ARG A 28 8.270 -9.305 -16.965 1.00 40.14 C ATOM 363 C ARG A 28 7.459 -10.539 -17.349 1.00 33.13 C ATOM 364 O ARG A 28 6.603 -10.994 -16.589 1.00 32.10 O ATOM 365 CB ARG A 28 9.574 -9.729 -16.288 1.00 23.02 C ATOM 366 CG ARG A 28 10.414 -8.561 -15.797 1.00 52.33 C ATOM 367 CD ARG A 28 11.890 -8.773 -16.093 1.00 3.13 C ATOM 368 NE ARG A 28 12.583 -7.514 -16.351 1.00 43.50 N ATOM 369 CZ ARG A 28 13.842 -7.440 -16.769 1.00 51.33 C ATOM 370 NH1 ARG A 28 14.541 -8.547 -16.976 1.00 4.11 N ATOM 371 NH2 ARG A 28 14.403 -6.256 -16.982 1.00 62.33 N ATOM 0 H ARG A 28 7.071 -8.906 -15.292 1.00 51.33 H new ATOM 0 HA ARG A 28 8.504 -8.749 -17.873 1.00 40.14 H new ATOM 0 HB2 ARG A 28 9.341 -10.378 -15.444 1.00 23.02 H new ATOM 0 HB3 ARG A 28 10.163 -10.319 -16.990 1.00 23.02 H new ATOM 0 HG2 ARG A 28 10.075 -7.642 -16.274 1.00 52.33 H new ATOM 0 HG3 ARG A 28 10.272 -8.435 -14.724 1.00 52.33 H new ATOM 0 HD2 ARG A 28 12.360 -9.279 -15.250 1.00 3.13 H new ATOM 0 HD3 ARG A 28 11.996 -9.429 -16.957 1.00 3.13 H new ATOM 0 HE ARG A 28 12.073 -6.644 -16.202 1.00 43.50 H new ATOM 0 HH11 ARG A 28 14.113 -9.458 -16.814 1.00 4.11 H new ATOM 0 HH12 ARG A 28 15.507 -8.487 -17.297 1.00 4.11 H new ATOM 0 HH21 ARG A 28 13.868 -5.402 -16.825 1.00 62.33 H new ATOM 0 HH22 ARG A 28 15.370 -6.200 -17.303 1.00 62.33 H new ATOM 385 N THR A 29 7.733 -11.077 -18.533 1.00 61.11 N ATOM 386 CA THR A 29 7.028 -12.257 -19.018 1.00 44.14 C ATOM 387 C THR A 29 7.941 -13.130 -19.871 1.00 61.34 C ATOM 388 O THR A 29 8.418 -12.705 -20.924 1.00 75.41 O ATOM 389 CB THR A 29 5.788 -11.870 -19.845 1.00 54.31 C ATOM 390 OG1 THR A 29 5.256 -10.625 -19.378 1.00 4.14 O ATOM 391 CG2 THR A 29 4.719 -12.949 -19.755 1.00 1.30 C ATOM 0 H THR A 29 8.438 -10.714 -19.174 1.00 61.11 H new ATOM 0 HA THR A 29 6.709 -12.818 -18.140 1.00 44.14 H new ATOM 0 HB THR A 29 6.092 -11.767 -20.887 1.00 54.31 H new ATOM 0 HG1 THR A 29 4.469 -10.385 -19.910 1.00 4.14 H new ATOM 0 HG21 THR A 29 3.853 -12.653 -20.347 1.00 1.30 H new ATOM 0 HG22 THR A 29 5.117 -13.888 -20.138 1.00 1.30 H new ATOM 0 HG23 THR A 29 4.420 -13.079 -18.715 1.00 1.30 H new ATOM 399 N VAL A 30 8.181 -14.354 -19.411 1.00 73.23 N ATOM 400 CA VAL A 30 9.035 -15.289 -20.134 1.00 4.24 C ATOM 401 C VAL A 30 8.852 -16.712 -19.618 1.00 42.13 C ATOM 402 O VAL A 30 8.786 -16.959 -18.414 1.00 50.10 O ATOM 403 CB VAL A 30 10.521 -14.899 -20.014 1.00 54.52 C ATOM 404 CG1 VAL A 30 11.027 -15.148 -18.602 1.00 34.33 C ATOM 405 CG2 VAL A 30 11.355 -15.662 -21.031 1.00 61.23 C ATOM 0 H VAL A 30 7.796 -14.721 -18.541 1.00 73.23 H new ATOM 0 HA VAL A 30 8.738 -15.244 -21.182 1.00 4.24 H new ATOM 0 HB VAL A 30 10.617 -13.834 -20.225 1.00 54.52 H new ATOM 0 HG11 VAL A 30 12.078 -14.867 -18.537 1.00 34.33 H new ATOM 0 HG12 VAL A 30 10.448 -14.551 -17.897 1.00 34.33 H new ATOM 0 HG13 VAL A 30 10.919 -16.205 -18.358 1.00 34.33 H new ATOM 0 HG21 VAL A 30 12.402 -15.374 -20.932 1.00 61.23 H new ATOM 0 HG22 VAL A 30 11.255 -16.733 -20.854 1.00 61.23 H new ATOM 0 HG23 VAL A 30 11.007 -15.426 -22.037 1.00 61.23 H new ATOM 415 N PRO A 31 8.769 -17.673 -20.551 1.00 14.53 N ATOM 416 CA PRO A 31 8.593 -19.089 -20.215 1.00 0.43 C ATOM 417 C PRO A 31 9.561 -19.552 -19.131 1.00 40.24 C ATOM 418 O PRO A 31 9.290 -20.515 -18.415 1.00 24.54 O ATOM 419 CB PRO A 31 8.885 -19.805 -21.535 1.00 64.42 C ATOM 420 CG PRO A 31 8.567 -18.802 -22.589 1.00 71.14 C ATOM 421 CD PRO A 31 8.840 -17.450 -22.005 1.00 33.44 C ATOM 0 HA PRO A 31 7.600 -19.293 -19.815 1.00 0.43 H new ATOM 0 HB2 PRO A 31 9.926 -20.122 -21.591 1.00 64.42 H new ATOM 0 HB3 PRO A 31 8.273 -20.701 -21.643 1.00 64.42 H new ATOM 0 HG2 PRO A 31 9.177 -18.969 -23.477 1.00 71.14 H new ATOM 0 HG3 PRO A 31 7.525 -18.885 -22.898 1.00 71.14 H new ATOM 0 HD2 PRO A 31 9.819 -17.075 -22.305 1.00 33.44 H new ATOM 0 HD3 PRO A 31 8.104 -16.717 -22.333 1.00 33.44 H new ATOM 429 N ARG A 32 10.690 -18.859 -19.017 1.00 74.23 N ATOM 430 CA ARG A 32 11.698 -19.201 -18.021 1.00 41.44 C ATOM 431 C ARG A 32 11.254 -18.768 -16.627 1.00 51.13 C ATOM 432 O ARG A 32 11.860 -17.888 -16.016 1.00 21.04 O ATOM 433 CB ARG A 32 13.034 -18.541 -18.370 1.00 73.33 C ATOM 434 CG ARG A 32 13.885 -19.360 -19.327 1.00 5.41 C ATOM 435 CD ARG A 32 15.347 -19.365 -18.906 1.00 51.34 C ATOM 436 NE ARG A 32 16.239 -19.070 -20.024 1.00 61.04 N ATOM 437 CZ ARG A 32 16.435 -19.896 -21.046 1.00 24.53 C ATOM 438 NH1 ARG A 32 15.805 -21.062 -21.090 1.00 22.20 N ATOM 439 NH2 ARG A 32 17.263 -19.557 -22.026 1.00 21.23 N ATOM 0 H ARG A 32 10.929 -18.058 -19.602 1.00 74.23 H new ATOM 0 HA ARG A 32 11.823 -20.284 -18.024 1.00 41.44 H new ATOM 0 HB2 ARG A 32 12.842 -17.564 -18.813 1.00 73.33 H new ATOM 0 HB3 ARG A 32 13.596 -18.370 -17.452 1.00 73.33 H new ATOM 0 HG2 ARG A 32 13.512 -20.384 -19.363 1.00 5.41 H new ATOM 0 HG3 ARG A 32 13.796 -18.953 -20.334 1.00 5.41 H new ATOM 0 HD2 ARG A 32 15.499 -18.629 -18.117 1.00 51.34 H new ATOM 0 HD3 ARG A 32 15.600 -20.339 -18.487 1.00 51.34 H new ATOM 0 HE ARG A 32 16.739 -18.181 -20.020 1.00 61.04 H new ATOM 0 HH11 ARG A 32 15.168 -21.326 -20.338 1.00 22.20 H new ATOM 0 HH12 ARG A 32 15.957 -21.694 -21.876 1.00 22.20 H new ATOM 0 HH21 ARG A 32 17.750 -18.661 -21.995 1.00 21.23 H new ATOM 0 HH22 ARG A 32 17.413 -20.192 -22.810 1.00 21.23 H new ATOM 453 N LYS A 33 10.191 -19.392 -16.130 1.00 41.24 N ATOM 454 CA LYS A 33 9.665 -19.073 -14.809 1.00 32.04 C ATOM 455 C LYS A 33 9.348 -17.585 -14.693 1.00 60.43 C ATOM 456 O LYS A 33 9.737 -16.931 -13.727 1.00 22.12 O ATOM 457 CB LYS A 33 10.669 -19.477 -13.726 1.00 55.03 C ATOM 458 CG LYS A 33 10.626 -20.955 -13.378 1.00 53.21 C ATOM 459 CD LYS A 33 11.684 -21.316 -12.350 1.00 23.32 C ATOM 460 CE LYS A 33 11.060 -21.672 -11.009 1.00 5.42 C ATOM 461 NZ LYS A 33 10.254 -22.921 -11.086 1.00 30.10 N ATOM 0 H LYS A 33 9.677 -20.122 -16.623 1.00 41.24 H new ATOM 0 HA LYS A 33 8.742 -19.635 -14.668 1.00 32.04 H new ATOM 0 HB2 LYS A 33 11.674 -19.220 -14.060 1.00 55.03 H new ATOM 0 HB3 LYS A 33 10.474 -18.894 -12.826 1.00 55.03 H new ATOM 0 HG2 LYS A 33 9.639 -21.210 -12.991 1.00 53.21 H new ATOM 0 HG3 LYS A 33 10.777 -21.547 -14.281 1.00 53.21 H new ATOM 0 HD2 LYS A 33 12.273 -22.158 -12.713 1.00 23.32 H new ATOM 0 HD3 LYS A 33 12.370 -20.478 -12.222 1.00 23.32 H new ATOM 0 HE2 LYS A 33 11.846 -21.793 -10.263 1.00 5.42 H new ATOM 0 HE3 LYS A 33 10.426 -20.851 -10.674 1.00 5.42 H new ATOM 0 HZ1 LYS A 33 10.160 -23.332 -10.135 1.00 30.10 H new ATOM 0 HZ2 LYS A 33 9.310 -22.702 -11.464 1.00 30.10 H new ATOM 0 HZ3 LYS A 33 10.728 -23.602 -11.712 1.00 30.10 H new ATOM 475 N GLY A 34 8.638 -17.057 -15.686 1.00 33.34 N ATOM 476 CA GLY A 34 8.280 -15.651 -15.675 1.00 12.11 C ATOM 477 C GLY A 34 6.817 -15.422 -16.002 1.00 24.43 C ATOM 478 O GLY A 34 6.489 -14.799 -17.012 1.00 23.44 O ATOM 0 H GLY A 34 8.305 -17.578 -16.497 1.00 33.34 H new ATOM 0 HA2 GLY A 34 8.500 -15.231 -14.693 1.00 12.11 H new ATOM 0 HA3 GLY A 34 8.898 -15.116 -16.396 1.00 12.11 H new ATOM 482 N VAL A 35 5.935 -15.929 -15.146 1.00 61.12 N ATOM 483 CA VAL A 35 4.499 -15.778 -15.349 1.00 43.42 C ATOM 484 C VAL A 35 4.026 -14.395 -14.916 1.00 51.31 C ATOM 485 O VAL A 35 3.366 -14.247 -13.889 1.00 33.23 O ATOM 486 CB VAL A 35 3.707 -16.846 -14.573 1.00 12.03 C ATOM 487 CG1 VAL A 35 4.079 -16.820 -13.098 1.00 14.10 C ATOM 488 CG2 VAL A 35 2.211 -16.639 -14.758 1.00 2.53 C ATOM 0 H VAL A 35 6.190 -16.448 -14.306 1.00 61.12 H new ATOM 0 HA VAL A 35 4.315 -15.904 -16.416 1.00 43.42 H new ATOM 0 HB VAL A 35 3.967 -17.827 -14.971 1.00 12.03 H new ATOM 0 HG11 VAL A 35 3.509 -17.582 -12.566 1.00 14.10 H new ATOM 0 HG12 VAL A 35 5.145 -17.021 -12.988 1.00 14.10 H new ATOM 0 HG13 VAL A 35 3.850 -15.839 -12.682 1.00 14.10 H new ATOM 0 HG21 VAL A 35 1.667 -17.403 -14.203 1.00 2.53 H new ATOM 0 HG22 VAL A 35 1.932 -15.653 -14.388 1.00 2.53 H new ATOM 0 HG23 VAL A 35 1.962 -16.713 -15.816 1.00 2.53 H new ATOM 498 N ASN A 36 4.368 -13.383 -15.708 1.00 20.42 N ATOM 499 CA ASN A 36 3.978 -12.011 -15.406 1.00 51.12 C ATOM 500 C ASN A 36 4.551 -11.565 -14.064 1.00 40.25 C ATOM 501 O ASN A 36 3.809 -11.229 -13.142 1.00 11.23 O ATOM 502 CB ASN A 36 2.453 -11.884 -15.390 1.00 2.13 C ATOM 503 CG ASN A 36 1.822 -12.330 -16.694 1.00 73.32 C ATOM 504 OD1 ASN A 36 1.955 -13.486 -17.098 1.00 43.41 O ATOM 505 ND2 ASN A 36 1.129 -11.414 -17.360 1.00 44.53 N ATOM 0 H ASN A 36 4.914 -13.488 -16.563 1.00 20.42 H new ATOM 0 HA ASN A 36 4.382 -11.365 -16.186 1.00 51.12 H new ATOM 0 HB2 ASN A 36 2.050 -12.481 -14.572 1.00 2.13 H new ATOM 0 HB3 ASN A 36 2.180 -10.847 -15.193 1.00 2.13 H new ATOM 0 HD21 ASN A 36 0.681 -11.656 -18.244 1.00 44.53 H new ATOM 0 HD22 ASN A 36 1.045 -10.468 -16.988 1.00 44.53 H new ATOM 512 N SER A 37 5.876 -11.564 -13.964 1.00 45.33 N ATOM 513 CA SER A 37 6.550 -11.162 -12.735 1.00 12.02 C ATOM 514 C SER A 37 6.763 -9.652 -12.701 1.00 2.31 C ATOM 515 O SER A 37 7.631 -9.120 -13.394 1.00 0.31 O ATOM 516 CB SER A 37 7.894 -11.881 -12.606 1.00 32.40 C ATOM 517 OG SER A 37 8.787 -11.151 -11.783 1.00 53.44 O ATOM 0 H SER A 37 6.504 -11.837 -14.720 1.00 45.33 H new ATOM 0 HA SER A 37 5.915 -11.441 -11.894 1.00 12.02 H new ATOM 0 HB2 SER A 37 7.739 -12.875 -12.187 1.00 32.40 H new ATOM 0 HB3 SER A 37 8.334 -12.016 -13.594 1.00 32.40 H new ATOM 0 HG SER A 37 9.638 -11.633 -11.716 1.00 53.44 H new ATOM 523 N CYS A 38 5.965 -8.966 -11.889 1.00 41.15 N ATOM 524 CA CYS A 38 6.064 -7.517 -11.764 1.00 2.24 C ATOM 525 C CYS A 38 6.701 -7.129 -10.432 1.00 54.20 C ATOM 526 O CYS A 38 6.051 -7.167 -9.387 1.00 74.02 O ATOM 527 CB CYS A 38 4.680 -6.877 -11.885 1.00 74.52 C ATOM 528 SG CYS A 38 3.845 -7.207 -13.471 1.00 4.41 S ATOM 0 H CYS A 38 5.242 -9.391 -11.308 1.00 41.15 H new ATOM 0 HA CYS A 38 6.698 -7.150 -12.571 1.00 2.24 H new ATOM 0 HB2 CYS A 38 4.051 -7.241 -11.073 1.00 74.52 H new ATOM 0 HB3 CYS A 38 4.777 -5.799 -11.755 1.00 74.52 H new ATOM 533 N ARG A 39 7.975 -6.755 -10.478 1.00 62.33 N ATOM 534 CA ARG A 39 8.700 -6.361 -9.276 1.00 71.13 C ATOM 535 C ARG A 39 8.906 -4.850 -9.237 1.00 3.31 C ATOM 536 O ARG A 39 9.028 -4.202 -10.277 1.00 1.41 O ATOM 537 CB ARG A 39 10.052 -7.073 -9.214 1.00 25.10 C ATOM 538 CG ARG A 39 9.949 -8.586 -9.310 1.00 21.52 C ATOM 539 CD ARG A 39 9.190 -9.169 -8.128 1.00 3.03 C ATOM 540 NE ARG A 39 7.898 -9.720 -8.525 1.00 34.20 N ATOM 541 CZ ARG A 39 7.232 -10.622 -7.811 1.00 43.42 C ATOM 542 NH1 ARG A 39 7.735 -11.070 -6.669 1.00 62.55 N ATOM 543 NH2 ARG A 39 6.061 -11.075 -8.239 1.00 21.41 N ATOM 0 H ARG A 39 8.527 -6.716 -11.335 1.00 62.33 H new ATOM 0 HA ARG A 39 8.104 -6.652 -8.411 1.00 71.13 H new ATOM 0 HB2 ARG A 39 10.683 -6.708 -10.025 1.00 25.10 H new ATOM 0 HB3 ARG A 39 10.549 -6.810 -8.280 1.00 25.10 H new ATOM 0 HG2 ARG A 39 9.446 -8.859 -10.237 1.00 21.52 H new ATOM 0 HG3 ARG A 39 10.949 -9.018 -9.351 1.00 21.52 H new ATOM 0 HD2 ARG A 39 9.790 -9.951 -7.662 1.00 3.03 H new ATOM 0 HD3 ARG A 39 9.038 -8.394 -7.377 1.00 3.03 H new ATOM 0 HE ARG A 39 7.483 -9.395 -9.398 1.00 34.20 H new ATOM 0 HH11 ARG A 39 8.635 -10.722 -6.337 1.00 62.55 H new ATOM 0 HH12 ARG A 39 7.222 -11.762 -6.123 1.00 62.55 H new ATOM 0 HH21 ARG A 39 5.671 -10.731 -9.117 1.00 21.41 H new ATOM 0 HH22 ARG A 39 5.551 -11.767 -7.691 1.00 21.41 H new ATOM 557 N CYS A 40 8.944 -4.294 -8.030 1.00 62.24 N ATOM 558 CA CYS A 40 9.135 -2.860 -7.854 1.00 54.42 C ATOM 559 C CYS A 40 10.605 -2.483 -8.012 1.00 51.42 C ATOM 560 O CYS A 40 11.440 -2.841 -7.183 1.00 5.01 O ATOM 561 CB CYS A 40 8.630 -2.422 -6.478 1.00 34.12 C ATOM 562 SG CYS A 40 6.846 -2.055 -6.422 1.00 43.34 S ATOM 0 H CYS A 40 8.845 -4.816 -7.159 1.00 62.24 H new ATOM 0 HA CYS A 40 8.561 -2.345 -8.625 1.00 54.42 H new ATOM 0 HB2 CYS A 40 8.851 -3.207 -5.755 1.00 34.12 H new ATOM 0 HB3 CYS A 40 9.182 -1.536 -6.165 1.00 34.12 H new ATOM 567 N MET A 41 10.912 -1.757 -9.082 1.00 62.25 N ATOM 568 CA MET A 41 12.281 -1.330 -9.348 1.00 61.34 C ATOM 569 C MET A 41 12.541 0.055 -8.766 1.00 41.53 C ATOM 570 O MET A 41 11.665 0.921 -8.783 1.00 4.44 O ATOM 571 CB MET A 41 12.552 -1.323 -10.854 1.00 42.21 C ATOM 572 CG MET A 41 13.876 -0.678 -11.230 1.00 5.01 C ATOM 573 SD MET A 41 14.660 -1.475 -12.645 1.00 3.22 S ATOM 574 CE MET A 41 15.760 -2.623 -11.820 1.00 61.12 C ATOM 0 H MET A 41 10.232 -1.452 -9.778 1.00 62.25 H new ATOM 0 HA MET A 41 12.956 -2.039 -8.868 1.00 61.34 H new ATOM 0 HB2 MET A 41 12.540 -2.349 -11.222 1.00 42.21 H new ATOM 0 HB3 MET A 41 11.743 -0.794 -11.358 1.00 42.21 H new ATOM 0 HG2 MET A 41 13.711 0.375 -11.457 1.00 5.01 H new ATOM 0 HG3 MET A 41 14.551 -0.718 -10.375 1.00 5.01 H new ATOM 0 HE1 MET A 41 16.317 -3.192 -12.564 1.00 61.12 H new ATOM 0 HE2 MET A 41 16.457 -2.070 -11.190 1.00 61.12 H new ATOM 0 HE3 MET A 41 15.177 -3.306 -11.203 1.00 61.12 H new TER 584 MET A 41