USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 395 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 38 THR OG1 : rot -140:sc= 0 USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 16 TYR OH : rot -133:sc= 0.789 USER MOD Set 2.2: A 23 GLN : amide:sc= 0.993 K(o=1.8,f=-8.5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.84 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0815 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot -15:sc= -2.93! USER MOD Single : A 57 ASN : amide:sc= -0.315 K(o=-0.32,f=-1.8!) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -6.001 6.289 -7.095 1.00 0.00 N ATOM 60 CA GLY A 7 -5.471 5.318 -6.153 1.00 0.00 C ATOM 61 C GLY A 7 -4.635 6.003 -5.070 1.00 0.00 C ATOM 62 O GLY A 7 -4.587 7.230 -5.002 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.292 4.769 -5.691 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.858 4.589 -6.683 1.00 0.00 H new ATOM 66 N GLU A 8 -3.997 5.180 -4.251 1.00 0.00 N ATOM 67 CA GLU A 8 -3.166 5.692 -3.175 1.00 0.00 C ATOM 68 C GLU A 8 -1.757 5.102 -3.266 1.00 0.00 C ATOM 69 O GLU A 8 -1.571 3.900 -3.082 1.00 0.00 O ATOM 70 CB GLU A 8 -3.794 5.402 -1.811 1.00 0.00 C ATOM 71 CG GLU A 8 -4.079 6.699 -1.051 1.00 0.00 C ATOM 72 CD GLU A 8 -5.042 7.594 -1.835 1.00 0.00 C ATOM 73 OE1 GLU A 8 -4.540 8.351 -2.694 1.00 0.00 O ATOM 74 OE2 GLU A 8 -6.257 7.500 -1.559 1.00 0.00 O ATOM 0 H GLU A 8 -4.039 4.163 -4.311 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.094 6.774 -3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.721 4.844 -1.945 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.124 4.773 -1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.506 6.467 -0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.145 7.232 -0.872 1.00 0.00 H new ATOM 81 N GLU A 9 -0.801 5.975 -3.550 1.00 0.00 N ATOM 82 CA GLU A 9 0.585 5.555 -3.667 1.00 0.00 C ATOM 83 C GLU A 9 1.200 5.361 -2.280 1.00 0.00 C ATOM 84 O GLU A 9 1.449 6.332 -1.566 1.00 0.00 O ATOM 85 CB GLU A 9 1.394 6.559 -4.491 1.00 0.00 C ATOM 86 CG GLU A 9 1.979 5.898 -5.741 1.00 0.00 C ATOM 87 CD GLU A 9 1.864 6.823 -6.954 1.00 0.00 C ATOM 88 OE1 GLU A 9 0.786 7.438 -7.099 1.00 0.00 O ATOM 89 OE2 GLU A 9 2.858 6.893 -7.709 1.00 0.00 O ATOM 0 H GLU A 9 -0.959 6.971 -3.702 1.00 0.00 H new ATOM 0 HA GLU A 9 0.612 4.600 -4.191 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.756 7.394 -4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.199 6.970 -3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.026 5.647 -5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.456 4.963 -5.941 1.00 0.00 H new ATOM 96 N PHE A 10 1.428 4.101 -1.940 1.00 0.00 N ATOM 97 CA PHE A 10 2.010 3.768 -0.650 1.00 0.00 C ATOM 98 C PHE A 10 3.421 3.200 -0.816 1.00 0.00 C ATOM 99 O PHE A 10 3.828 2.852 -1.923 1.00 0.00 O ATOM 100 CB PHE A 10 1.114 2.700 -0.018 1.00 0.00 C ATOM 101 CG PHE A 10 0.020 3.264 0.890 1.00 0.00 C ATOM 102 CD1 PHE A 10 -1.038 3.926 0.350 1.00 0.00 C ATOM 103 CD2 PHE A 10 0.105 3.103 2.238 1.00 0.00 C ATOM 104 CE1 PHE A 10 -2.053 4.450 1.193 1.00 0.00 C ATOM 105 CE2 PHE A 10 -0.910 3.627 3.081 1.00 0.00 C ATOM 106 CZ PHE A 10 -1.968 4.289 2.541 1.00 0.00 C ATOM 0 H PHE A 10 1.221 3.299 -2.535 1.00 0.00 H new ATOM 0 HA PHE A 10 2.078 4.662 -0.030 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.648 2.115 -0.811 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.735 2.015 0.560 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.106 4.053 -0.720 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.945 2.576 2.667 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.893 4.977 0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.842 3.500 4.151 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.741 4.687 3.182 1.00 0.00 H new ATOM 116 N VAL A 11 4.129 3.124 0.302 1.00 0.00 N ATOM 117 CA VAL A 11 5.485 2.605 0.294 1.00 0.00 C ATOM 118 C VAL A 11 5.586 1.439 1.280 1.00 0.00 C ATOM 119 O VAL A 11 5.056 1.511 2.388 1.00 0.00 O ATOM 120 CB VAL A 11 6.478 3.730 0.595 1.00 0.00 C ATOM 121 CG1 VAL A 11 7.703 3.195 1.340 1.00 0.00 C ATOM 122 CG2 VAL A 11 6.889 4.455 -0.688 1.00 0.00 C ATOM 0 H VAL A 11 3.788 3.413 1.219 1.00 0.00 H new ATOM 0 HA VAL A 11 5.740 2.219 -0.693 1.00 0.00 H new ATOM 0 HB VAL A 11 5.981 4.452 1.243 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.393 4.015 1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.388 2.745 2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.202 2.443 0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.595 5.250 -0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.359 3.747 -1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.006 4.885 -1.162 1.00 0.00 H new ATOM 132 N ALA A 12 6.270 0.392 0.842 1.00 0.00 N ATOM 133 CA ALA A 12 6.447 -0.787 1.672 1.00 0.00 C ATOM 134 C ALA A 12 7.422 -0.465 2.806 1.00 0.00 C ATOM 135 O ALA A 12 8.583 -0.141 2.559 1.00 0.00 O ATOM 136 CB ALA A 12 6.924 -1.954 0.806 1.00 0.00 C ATOM 0 H ALA A 12 6.708 0.336 -0.077 1.00 0.00 H new ATOM 0 HA ALA A 12 5.501 -1.083 2.125 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.057 -2.839 1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.183 -2.161 0.034 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.873 -1.695 0.337 1.00 0.00 H new ATOM 142 N ILE A 13 6.915 -0.566 4.026 1.00 0.00 N ATOM 143 CA ILE A 13 7.727 -0.290 5.199 1.00 0.00 C ATOM 144 C ILE A 13 8.722 -1.434 5.407 1.00 0.00 C ATOM 145 O ILE A 13 9.643 -1.322 6.214 1.00 0.00 O ATOM 146 CB ILE A 13 6.838 -0.020 6.415 1.00 0.00 C ATOM 147 CG1 ILE A 13 5.840 -1.159 6.628 1.00 0.00 C ATOM 148 CG2 ILE A 13 6.142 1.337 6.294 1.00 0.00 C ATOM 149 CD1 ILE A 13 5.673 -1.470 8.117 1.00 0.00 C ATOM 0 H ILE A 13 5.952 -0.835 4.228 1.00 0.00 H new ATOM 0 HA ILE A 13 8.311 0.618 5.052 1.00 0.00 H new ATOM 0 HB ILE A 13 7.473 0.021 7.300 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.875 -0.887 6.199 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.183 -2.051 6.103 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.516 1.505 7.171 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.891 2.126 6.227 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.522 1.349 5.398 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.958 -2.283 8.241 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.635 -1.765 8.537 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.307 -0.583 8.635 1.00 0.00 H new ATOM 161 N ALA A 14 8.501 -2.509 4.664 1.00 0.00 N ATOM 162 CA ALA A 14 9.367 -3.673 4.757 1.00 0.00 C ATOM 163 C ALA A 14 9.040 -4.638 3.615 1.00 0.00 C ATOM 164 O ALA A 14 7.872 -4.861 3.301 1.00 0.00 O ATOM 165 CB ALA A 14 9.205 -4.322 6.133 1.00 0.00 C ATOM 0 H ALA A 14 7.736 -2.599 3.996 1.00 0.00 H new ATOM 0 HA ALA A 14 10.413 -3.383 4.655 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.854 -5.195 6.202 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.477 -3.605 6.908 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.168 -4.629 6.271 1.00 0.00 H new ATOM 171 N ASP A 15 10.093 -5.184 3.025 1.00 0.00 N ATOM 172 CA ASP A 15 9.933 -6.120 1.925 1.00 0.00 C ATOM 173 C ASP A 15 9.014 -7.262 2.363 1.00 0.00 C ATOM 174 O ASP A 15 9.070 -7.705 3.509 1.00 0.00 O ATOM 175 CB ASP A 15 11.278 -6.725 1.517 1.00 0.00 C ATOM 176 CG ASP A 15 11.805 -7.817 2.450 1.00 0.00 C ATOM 177 OD1 ASP A 15 11.370 -8.975 2.271 1.00 0.00 O ATOM 178 OD2 ASP A 15 12.631 -7.469 3.321 1.00 0.00 O ATOM 0 H ASP A 15 11.060 -4.996 3.288 1.00 0.00 H new ATOM 0 HA ASP A 15 9.510 -5.578 1.079 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.183 -7.140 0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.017 -5.926 1.463 1.00 0.00 H new ATOM 183 N TYR A 16 8.188 -7.706 1.426 1.00 0.00 N ATOM 184 CA TYR A 16 7.258 -8.788 1.701 1.00 0.00 C ATOM 185 C TYR A 16 7.320 -9.856 0.606 1.00 0.00 C ATOM 186 O TYR A 16 7.702 -9.567 -0.527 1.00 0.00 O ATOM 187 CB TYR A 16 5.865 -8.156 1.701 1.00 0.00 C ATOM 188 CG TYR A 16 4.721 -9.171 1.761 1.00 0.00 C ATOM 189 CD1 TYR A 16 4.544 -9.945 2.890 1.00 0.00 C ATOM 190 CD2 TYR A 16 3.867 -9.312 0.687 1.00 0.00 C ATOM 191 CE1 TYR A 16 3.468 -10.900 2.946 1.00 0.00 C ATOM 192 CE2 TYR A 16 2.790 -10.267 0.743 1.00 0.00 C ATOM 193 CZ TYR A 16 2.644 -11.014 1.870 1.00 0.00 C ATOM 194 OH TYR A 16 1.628 -11.916 1.924 1.00 0.00 O ATOM 0 H TYR A 16 8.144 -7.336 0.476 1.00 0.00 H new ATOM 0 HA TYR A 16 7.499 -9.270 2.648 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.783 -7.481 2.553 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.752 -7.550 0.802 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.212 -9.834 3.731 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.006 -8.706 -0.196 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.319 -11.512 3.823 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.114 -10.387 -0.091 1.00 0.00 H new ATOM 0 HH TYR A 16 1.611 -12.440 1.096 1.00 0.00 H new ATOM 204 N ALA A 17 6.939 -11.067 0.984 1.00 0.00 N ATOM 205 CA ALA A 17 6.947 -12.179 0.049 1.00 0.00 C ATOM 206 C ALA A 17 5.575 -12.855 0.055 1.00 0.00 C ATOM 207 O ALA A 17 5.178 -13.453 1.054 1.00 0.00 O ATOM 208 CB ALA A 17 8.075 -13.146 0.415 1.00 0.00 C ATOM 0 H ALA A 17 6.623 -11.303 1.925 1.00 0.00 H new ATOM 0 HA ALA A 17 7.136 -11.826 -0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.081 -13.980 -0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.031 -12.625 0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.918 -13.523 1.426 1.00 0.00 H new ATOM 214 N ALA A 18 4.887 -12.737 -1.072 1.00 0.00 N ATOM 215 CA ALA A 18 3.567 -13.329 -1.209 1.00 0.00 C ATOM 216 C ALA A 18 3.637 -14.811 -0.836 1.00 0.00 C ATOM 217 O ALA A 18 4.484 -15.544 -1.345 1.00 0.00 O ATOM 218 CB ALA A 18 3.054 -13.109 -2.633 1.00 0.00 C ATOM 0 H ALA A 18 5.219 -12.240 -1.898 1.00 0.00 H new ATOM 0 HA ALA A 18 2.860 -12.852 -0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.064 -13.553 -2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.995 -12.040 -2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.737 -13.577 -3.342 1.00 0.00 H new ATOM 224 N THR A 19 2.735 -15.209 0.049 1.00 0.00 N ATOM 225 CA THR A 19 2.683 -16.591 0.495 1.00 0.00 C ATOM 226 C THR A 19 1.845 -17.432 -0.470 1.00 0.00 C ATOM 227 O THR A 19 2.064 -18.636 -0.600 1.00 0.00 O ATOM 228 CB THR A 19 2.153 -16.605 1.930 1.00 0.00 C ATOM 229 OG1 THR A 19 3.320 -16.775 2.730 1.00 0.00 O ATOM 230 CG2 THR A 19 1.311 -17.846 2.232 1.00 0.00 C ATOM 0 H THR A 19 2.034 -14.599 0.469 1.00 0.00 H new ATOM 0 HA THR A 19 3.674 -17.044 0.495 1.00 0.00 H new ATOM 0 HB THR A 19 1.556 -15.710 2.104 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.068 -16.793 3.677 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.960 -17.805 3.263 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.455 -17.878 1.558 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.917 -18.741 2.090 1.00 0.00 H new ATOM 238 N ASP A 20 0.904 -16.766 -1.122 1.00 0.00 N ATOM 239 CA ASP A 20 0.033 -17.437 -2.071 1.00 0.00 C ATOM 240 C ASP A 20 0.316 -16.908 -3.479 1.00 0.00 C ATOM 241 O ASP A 20 1.222 -16.099 -3.672 1.00 0.00 O ATOM 242 CB ASP A 20 -1.439 -17.169 -1.753 1.00 0.00 C ATOM 243 CG ASP A 20 -2.077 -18.150 -0.767 1.00 0.00 C ATOM 244 OD1 ASP A 20 -1.548 -19.278 -0.667 1.00 0.00 O ATOM 245 OD2 ASP A 20 -3.078 -17.749 -0.135 1.00 0.00 O ATOM 0 H ASP A 20 0.726 -15.768 -1.012 1.00 0.00 H new ATOM 0 HA ASP A 20 0.227 -18.508 -2.007 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.530 -16.161 -1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.006 -17.192 -2.684 1.00 0.00 H new ATOM 250 N GLU A 21 -0.477 -17.387 -4.427 1.00 0.00 N ATOM 251 CA GLU A 21 -0.323 -16.972 -5.811 1.00 0.00 C ATOM 252 C GLU A 21 -1.332 -15.875 -6.152 1.00 0.00 C ATOM 253 O GLU A 21 -1.601 -15.615 -7.324 1.00 0.00 O ATOM 254 CB GLU A 21 -0.468 -18.164 -6.759 1.00 0.00 C ATOM 255 CG GLU A 21 -1.725 -18.973 -6.435 1.00 0.00 C ATOM 256 CD GLU A 21 -2.475 -19.358 -7.712 1.00 0.00 C ATOM 257 OE1 GLU A 21 -2.840 -18.424 -8.459 1.00 0.00 O ATOM 258 OE2 GLU A 21 -2.665 -20.577 -7.914 1.00 0.00 O ATOM 0 H GLU A 21 -1.228 -18.058 -4.264 1.00 0.00 H new ATOM 0 HA GLU A 21 0.681 -16.567 -5.939 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.514 -17.810 -7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.411 -18.804 -6.681 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.450 -19.873 -5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.379 -18.390 -5.787 1.00 0.00 H new ATOM 265 N THR A 22 -1.864 -15.259 -5.106 1.00 0.00 N ATOM 266 CA THR A 22 -2.838 -14.195 -5.280 1.00 0.00 C ATOM 267 C THR A 22 -2.412 -12.949 -4.502 1.00 0.00 C ATOM 268 O THR A 22 -3.221 -12.054 -4.263 1.00 0.00 O ATOM 269 CB THR A 22 -4.207 -14.734 -4.860 1.00 0.00 C ATOM 270 OG1 THR A 22 -3.992 -15.245 -3.548 1.00 0.00 O ATOM 271 CG2 THR A 22 -4.628 -15.960 -5.673 1.00 0.00 C ATOM 0 H THR A 22 -1.639 -15.477 -4.135 1.00 0.00 H new ATOM 0 HA THR A 22 -2.901 -13.883 -6.323 1.00 0.00 H new ATOM 0 HB THR A 22 -4.955 -13.949 -4.972 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.830 -15.613 -3.199 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.606 -16.302 -5.335 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.681 -15.696 -6.729 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.897 -16.757 -5.535 1.00 0.00 H new ATOM 279 N GLN A 23 -1.141 -12.931 -4.127 1.00 0.00 N ATOM 280 CA GLN A 23 -0.597 -11.809 -3.380 1.00 0.00 C ATOM 281 C GLN A 23 0.474 -11.092 -4.205 1.00 0.00 C ATOM 282 O GLN A 23 0.973 -11.637 -5.189 1.00 0.00 O ATOM 283 CB GLN A 23 -0.035 -12.268 -2.033 1.00 0.00 C ATOM 284 CG GLN A 23 -1.160 -12.690 -1.086 1.00 0.00 C ATOM 285 CD GLN A 23 -0.595 -13.312 0.193 1.00 0.00 C ATOM 286 OE1 GLN A 23 0.542 -13.751 0.251 1.00 0.00 O ATOM 287 NE2 GLN A 23 -1.450 -13.324 1.212 1.00 0.00 N ATOM 0 H GLN A 23 -0.472 -13.675 -4.326 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.405 -11.106 -3.179 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.649 -13.103 -2.186 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.542 -11.461 -1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.772 -11.824 -0.834 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.812 -13.406 -1.586 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.388 -12.940 1.096 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.168 -13.717 2.110 1.00 0.00 H new ATOM 296 N LEU A 24 0.796 -9.881 -3.773 1.00 0.00 N ATOM 297 CA LEU A 24 1.798 -9.084 -4.460 1.00 0.00 C ATOM 298 C LEU A 24 3.048 -8.979 -3.583 1.00 0.00 C ATOM 299 O LEU A 24 2.946 -8.827 -2.366 1.00 0.00 O ATOM 300 CB LEU A 24 1.218 -7.729 -4.868 1.00 0.00 C ATOM 301 CG LEU A 24 0.206 -7.751 -6.016 1.00 0.00 C ATOM 302 CD1 LEU A 24 -0.096 -6.334 -6.508 1.00 0.00 C ATOM 303 CD2 LEU A 24 0.683 -8.661 -7.149 1.00 0.00 C ATOM 0 H LEU A 24 0.381 -9.433 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 24 2.099 -9.568 -5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.739 -7.284 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.042 -7.073 -5.149 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.729 -8.167 -5.640 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.818 -6.378 -7.324 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.509 -5.745 -5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.824 -5.868 -6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.054 -8.659 -7.952 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.637 -8.297 -7.531 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.807 -9.676 -6.773 1.00 0.00 H new ATOM 315 N SER A 25 4.198 -9.064 -4.235 1.00 0.00 N ATOM 316 CA SER A 25 5.466 -8.980 -3.529 1.00 0.00 C ATOM 317 C SER A 25 6.227 -7.728 -3.969 1.00 0.00 C ATOM 318 O SER A 25 6.378 -7.476 -5.163 1.00 0.00 O ATOM 319 CB SER A 25 6.315 -10.230 -3.772 1.00 0.00 C ATOM 320 OG SER A 25 5.584 -11.428 -3.525 1.00 0.00 O ATOM 0 H SER A 25 4.279 -9.190 -5.244 1.00 0.00 H new ATOM 0 HA SER A 25 5.260 -8.916 -2.461 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.674 -10.230 -4.801 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.194 -10.202 -3.128 1.00 0.00 H new ATOM 0 HG SER A 25 6.160 -12.203 -3.693 1.00 0.00 H new ATOM 326 N PHE A 26 6.686 -6.976 -2.979 1.00 0.00 N ATOM 327 CA PHE A 26 7.428 -5.756 -3.249 1.00 0.00 C ATOM 328 C PHE A 26 8.598 -5.599 -2.276 1.00 0.00 C ATOM 329 O PHE A 26 8.755 -6.399 -1.354 1.00 0.00 O ATOM 330 CB PHE A 26 6.458 -4.590 -3.053 1.00 0.00 C ATOM 331 CG PHE A 26 5.471 -4.788 -1.900 1.00 0.00 C ATOM 332 CD1 PHE A 26 5.866 -4.556 -0.619 1.00 0.00 C ATOM 333 CD2 PHE A 26 4.199 -5.196 -2.156 1.00 0.00 C ATOM 334 CE1 PHE A 26 4.951 -4.740 0.450 1.00 0.00 C ATOM 335 CE2 PHE A 26 3.284 -5.380 -1.086 1.00 0.00 C ATOM 336 CZ PHE A 26 3.679 -5.148 0.194 1.00 0.00 C ATOM 0 H PHE A 26 6.558 -7.188 -1.989 1.00 0.00 H new ATOM 0 HA PHE A 26 7.833 -5.783 -4.261 1.00 0.00 H new ATOM 0 HB2 PHE A 26 7.031 -3.680 -2.875 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.897 -4.438 -3.975 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.876 -4.232 -0.416 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.885 -5.380 -3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.265 -4.556 1.467 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.274 -5.704 -1.289 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.983 -5.288 1.008 1.00 0.00 H new ATOM 346 N LEU A 27 9.390 -4.564 -2.513 1.00 0.00 N ATOM 347 CA LEU A 27 10.541 -4.292 -1.669 1.00 0.00 C ATOM 348 C LEU A 27 10.338 -2.957 -0.951 1.00 0.00 C ATOM 349 O LEU A 27 9.774 -2.023 -1.518 1.00 0.00 O ATOM 350 CB LEU A 27 11.833 -4.360 -2.487 1.00 0.00 C ATOM 351 CG LEU A 27 12.827 -3.218 -2.266 1.00 0.00 C ATOM 352 CD1 LEU A 27 13.566 -3.384 -0.937 1.00 0.00 C ATOM 353 CD2 LEU A 27 13.791 -3.095 -3.448 1.00 0.00 C ATOM 0 H LEU A 27 9.257 -3.903 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 27 10.637 -5.057 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.334 -5.301 -2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.569 -4.386 -3.544 1.00 0.00 H new ATOM 0 HG LEU A 27 12.268 -2.284 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.266 -2.559 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.847 -3.384 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.113 -4.327 -0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.487 -2.276 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.347 -4.025 -3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.226 -2.896 -4.359 1.00 0.00 H new ATOM 365 N ARG A 28 10.808 -2.910 0.287 1.00 0.00 N ATOM 366 CA ARG A 28 10.685 -1.705 1.089 1.00 0.00 C ATOM 367 C ARG A 28 10.995 -0.469 0.242 1.00 0.00 C ATOM 368 O ARG A 28 12.128 -0.282 -0.198 1.00 0.00 O ATOM 369 CB ARG A 28 11.633 -1.743 2.289 1.00 0.00 C ATOM 370 CG ARG A 28 11.632 -0.404 3.030 1.00 0.00 C ATOM 371 CD ARG A 28 12.585 -0.440 4.227 1.00 0.00 C ATOM 372 NE ARG A 28 13.403 0.793 4.260 1.00 0.00 N ATOM 373 CZ ARG A 28 14.443 1.026 3.448 1.00 0.00 C ATOM 374 NH1 ARG A 28 14.797 0.112 2.534 1.00 0.00 N ATOM 375 NH2 ARG A 28 15.128 2.173 3.549 1.00 0.00 N ATOM 0 H ARG A 28 11.275 -3.687 0.754 1.00 0.00 H new ATOM 0 HA ARG A 28 9.659 -1.652 1.452 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.333 -2.540 2.969 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.643 -1.976 1.952 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.928 0.393 2.348 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.623 -0.173 3.371 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.016 -0.534 5.152 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.233 -1.314 4.161 1.00 0.00 H new ATOM 0 HE ARG A 28 13.160 1.510 4.943 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.275 -0.761 2.457 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.589 0.289 1.916 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.858 2.869 4.244 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.920 2.350 2.931 1.00 0.00 H new ATOM 389 N GLY A 29 9.967 0.342 0.038 1.00 0.00 N ATOM 390 CA GLY A 29 10.116 1.555 -0.749 1.00 0.00 C ATOM 391 C GLY A 29 9.236 1.507 -2.000 1.00 0.00 C ATOM 392 O GLY A 29 8.685 2.525 -2.415 1.00 0.00 O ATOM 0 H GLY A 29 9.028 0.183 0.404 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.848 2.421 -0.144 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.160 1.679 -1.038 1.00 0.00 H new ATOM 396 N GLU A 30 9.134 0.314 -2.567 1.00 0.00 N ATOM 397 CA GLU A 30 8.331 0.120 -3.763 1.00 0.00 C ATOM 398 C GLU A 30 6.996 0.855 -3.631 1.00 0.00 C ATOM 399 O GLU A 30 6.324 0.749 -2.606 1.00 0.00 O ATOM 400 CB GLU A 30 8.113 -1.368 -4.042 1.00 0.00 C ATOM 401 CG GLU A 30 9.051 -1.863 -5.144 1.00 0.00 C ATOM 402 CD GLU A 30 8.287 -2.107 -6.447 1.00 0.00 C ATOM 403 OE1 GLU A 30 8.132 -1.127 -7.207 1.00 0.00 O ATOM 404 OE2 GLU A 30 7.874 -3.269 -6.653 1.00 0.00 O ATOM 0 H GLU A 30 9.594 -0.528 -2.221 1.00 0.00 H new ATOM 0 HA GLU A 30 8.872 0.539 -4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.283 -1.941 -3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.078 -1.538 -4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.839 -1.129 -5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.537 -2.785 -4.825 1.00 0.00 H new ATOM 411 N LYS A 31 6.651 1.584 -4.682 1.00 0.00 N ATOM 412 CA LYS A 31 5.408 2.336 -4.696 1.00 0.00 C ATOM 413 C LYS A 31 4.243 1.383 -4.971 1.00 0.00 C ATOM 414 O LYS A 31 4.038 0.960 -6.108 1.00 0.00 O ATOM 415 CB LYS A 31 5.497 3.500 -5.685 1.00 0.00 C ATOM 416 CG LYS A 31 6.126 4.730 -5.029 1.00 0.00 C ATOM 417 CD LYS A 31 7.654 4.666 -5.096 1.00 0.00 C ATOM 418 CE LYS A 31 8.284 5.349 -3.880 1.00 0.00 C ATOM 419 NZ LYS A 31 9.760 5.346 -3.992 1.00 0.00 N ATOM 0 H LYS A 31 7.211 1.670 -5.530 1.00 0.00 H new ATOM 0 HA LYS A 31 5.226 2.789 -3.721 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.089 3.202 -6.550 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.501 3.748 -6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.774 5.633 -5.528 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.806 4.795 -3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.977 3.626 -5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.002 5.148 -6.010 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.921 6.374 -3.802 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.981 4.834 -2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.172 5.813 -3.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.102 4.365 -4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.044 5.858 -4.852 1.00 0.00 H new ATOM 433 N ILE A 32 3.511 1.072 -3.911 1.00 0.00 N ATOM 434 CA ILE A 32 2.373 0.177 -4.024 1.00 0.00 C ATOM 435 C ILE A 32 1.092 1.002 -4.166 1.00 0.00 C ATOM 436 O ILE A 32 0.844 1.910 -3.373 1.00 0.00 O ATOM 437 CB ILE A 32 2.345 -0.805 -2.851 1.00 0.00 C ATOM 438 CG1 ILE A 32 3.755 -1.289 -2.508 1.00 0.00 C ATOM 439 CG2 ILE A 32 1.392 -1.969 -3.133 1.00 0.00 C ATOM 440 CD1 ILE A 32 4.268 -2.274 -3.560 1.00 0.00 C ATOM 0 H ILE A 32 3.684 1.424 -2.970 1.00 0.00 H new ATOM 0 HA ILE A 32 2.459 -0.436 -4.921 1.00 0.00 H new ATOM 0 HB ILE A 32 1.962 -0.281 -1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.430 -0.436 -2.444 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.751 -1.767 -1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.391 -2.652 -2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.384 -1.584 -3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.721 -2.501 -4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.272 -2.602 -3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.604 -3.137 -3.605 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.294 -1.785 -4.534 1.00 0.00 H new ATOM 452 N LEU A 33 0.313 0.658 -5.181 1.00 0.00 N ATOM 453 CA LEU A 33 -0.935 1.356 -5.436 1.00 0.00 C ATOM 454 C LEU A 33 -2.072 0.646 -4.698 1.00 0.00 C ATOM 455 O LEU A 33 -2.328 -0.534 -4.933 1.00 0.00 O ATOM 456 CB LEU A 33 -1.173 1.496 -6.941 1.00 0.00 C ATOM 457 CG LEU A 33 -1.568 2.890 -7.431 1.00 0.00 C ATOM 458 CD1 LEU A 33 -2.724 3.455 -6.602 1.00 0.00 C ATOM 459 CD2 LEU A 33 -0.361 3.830 -7.445 1.00 0.00 C ATOM 0 H LEU A 33 0.522 -0.095 -5.836 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.888 2.373 -5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.265 1.193 -7.462 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.956 0.795 -7.232 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.920 2.803 -8.459 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.985 4.447 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.589 2.797 -6.687 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.422 3.524 -5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.670 4.814 -7.797 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.044 3.917 -6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.404 3.430 -8.111 1.00 0.00 H new ATOM 471 N ILE A 34 -2.723 1.395 -3.820 1.00 0.00 N ATOM 472 CA ILE A 34 -3.826 0.852 -3.046 1.00 0.00 C ATOM 473 C ILE A 34 -5.149 1.244 -3.706 1.00 0.00 C ATOM 474 O ILE A 34 -5.616 2.371 -3.549 1.00 0.00 O ATOM 475 CB ILE A 34 -3.718 1.284 -1.582 1.00 0.00 C ATOM 476 CG1 ILE A 34 -2.315 1.016 -1.034 1.00 0.00 C ATOM 477 CG2 ILE A 34 -4.802 0.620 -0.732 1.00 0.00 C ATOM 478 CD1 ILE A 34 -1.809 -0.360 -1.470 1.00 0.00 C ATOM 0 H ILE A 34 -2.508 2.373 -3.628 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.784 -0.237 -3.037 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.884 2.360 -1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.630 1.787 -1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.329 1.074 0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.702 0.945 0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.785 0.905 -1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.693 -0.463 -0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.810 -0.525 -1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.483 -1.131 -1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.773 -0.406 -2.558 1.00 0.00 H new ATOM 490 N LEU A 35 -5.716 0.291 -4.433 1.00 0.00 N ATOM 491 CA LEU A 35 -6.976 0.523 -5.118 1.00 0.00 C ATOM 492 C LEU A 35 -8.097 0.656 -4.085 1.00 0.00 C ATOM 493 O LEU A 35 -8.657 1.737 -3.907 1.00 0.00 O ATOM 494 CB LEU A 35 -7.228 -0.568 -6.161 1.00 0.00 C ATOM 495 CG LEU A 35 -6.284 -0.575 -7.365 1.00 0.00 C ATOM 496 CD1 LEU A 35 -6.064 0.842 -7.898 1.00 0.00 C ATOM 497 CD2 LEU A 35 -4.964 -1.269 -7.022 1.00 0.00 C ATOM 0 H LEU A 35 -5.326 -0.642 -4.562 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.940 1.461 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.162 -1.537 -5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.250 -0.465 -6.526 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.753 -1.150 -8.163 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.389 0.808 -8.753 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.019 1.267 -8.206 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.627 1.461 -7.115 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.311 -1.260 -7.895 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.479 -0.742 -6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.161 -2.299 -6.726 1.00 0.00 H new ATOM 509 N ARG A 36 -8.391 -0.458 -3.431 1.00 0.00 N ATOM 510 CA ARG A 36 -9.434 -0.479 -2.420 1.00 0.00 C ATOM 511 C ARG A 36 -8.879 -1.003 -1.094 1.00 0.00 C ATOM 512 O ARG A 36 -7.753 -1.496 -1.040 1.00 0.00 O ATOM 513 CB ARG A 36 -10.607 -1.360 -2.857 1.00 0.00 C ATOM 514 CG ARG A 36 -11.299 -0.778 -4.092 1.00 0.00 C ATOM 515 CD ARG A 36 -11.182 -1.729 -5.285 1.00 0.00 C ATOM 516 NE ARG A 36 -11.177 -0.959 -6.548 1.00 0.00 N ATOM 517 CZ ARG A 36 -12.267 -0.397 -7.090 1.00 0.00 C ATOM 518 NH1 ARG A 36 -13.455 -0.518 -6.482 1.00 0.00 N ATOM 519 NH2 ARG A 36 -12.168 0.284 -8.240 1.00 0.00 N ATOM 0 H ARG A 36 -7.925 -1.353 -3.582 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.790 0.543 -2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.249 -2.366 -3.076 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.324 -1.448 -2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.350 -0.594 -3.871 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.853 0.184 -4.344 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.267 -2.316 -5.204 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.014 -2.433 -5.282 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.289 -0.849 -7.037 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.530 -1.037 -5.607 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.285 -0.091 -6.894 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.264 0.375 -8.703 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.997 0.712 -8.652 1.00 0.00 H new ATOM 533 N GLN A 37 -9.694 -0.880 -0.057 1.00 0.00 N ATOM 534 CA GLN A 37 -9.298 -1.334 1.265 1.00 0.00 C ATOM 535 C GLN A 37 -9.934 -2.692 1.571 1.00 0.00 C ATOM 536 O GLN A 37 -9.430 -3.443 2.405 1.00 0.00 O ATOM 537 CB GLN A 37 -9.667 -0.303 2.333 1.00 0.00 C ATOM 538 CG GLN A 37 -8.644 0.834 2.373 1.00 0.00 C ATOM 539 CD GLN A 37 -9.004 1.857 3.452 1.00 0.00 C ATOM 540 OE1 GLN A 37 -9.159 1.538 4.620 1.00 0.00 O ATOM 541 NE2 GLN A 37 -9.127 3.101 2.999 1.00 0.00 N ATOM 0 H GLN A 37 -10.628 -0.472 -0.106 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.214 -1.450 1.279 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -10.658 0.101 2.126 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.717 -0.787 3.309 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.651 0.428 2.568 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.602 1.325 1.401 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.984 3.300 2.009 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.364 3.857 3.642 1.00 0.00 H new ATOM 550 N THR A 38 -11.031 -2.966 0.880 1.00 0.00 N ATOM 551 CA THR A 38 -11.740 -4.220 1.068 1.00 0.00 C ATOM 552 C THR A 38 -12.316 -4.300 2.483 1.00 0.00 C ATOM 553 O THR A 38 -13.522 -4.153 2.675 1.00 0.00 O ATOM 554 CB THR A 38 -10.777 -5.362 0.738 1.00 0.00 C ATOM 555 OG1 THR A 38 -10.409 -5.126 -0.618 1.00 0.00 O ATOM 556 CG2 THR A 38 -11.473 -6.724 0.705 1.00 0.00 C ATOM 0 H THR A 38 -11.446 -2.341 0.189 1.00 0.00 H new ATOM 0 HA THR A 38 -12.596 -4.294 0.398 1.00 0.00 H new ATOM 0 HB THR A 38 -9.974 -5.383 1.475 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.367 -5.979 -1.099 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.745 -7.499 0.466 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.916 -6.930 1.679 1.00 0.00 H new ATOM 0 HG23 THR A 38 -12.255 -6.715 -0.054 1.00 0.00 H new ATOM 564 N THR A 39 -11.427 -4.533 3.437 1.00 0.00 N ATOM 565 CA THR A 39 -11.832 -4.634 4.829 1.00 0.00 C ATOM 566 C THR A 39 -11.058 -3.629 5.684 1.00 0.00 C ATOM 567 O THR A 39 -11.644 -2.702 6.241 1.00 0.00 O ATOM 568 CB THR A 39 -11.639 -6.086 5.273 1.00 0.00 C ATOM 569 OG1 THR A 39 -10.366 -6.445 4.742 1.00 0.00 O ATOM 570 CG2 THR A 39 -12.614 -7.043 4.585 1.00 0.00 C ATOM 0 H THR A 39 -10.428 -4.655 3.274 1.00 0.00 H new ATOM 0 HA THR A 39 -12.884 -4.377 4.955 1.00 0.00 H new ATOM 0 HB THR A 39 -11.765 -6.155 6.353 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.160 -7.372 4.984 1.00 0.00 H new ATOM 0 HG21 THR A 39 -12.434 -8.059 4.935 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.637 -6.753 4.823 1.00 0.00 H new ATOM 0 HG23 THR A 39 -12.466 -7.000 3.506 1.00 0.00 H new ATOM 578 N ALA A 40 -9.754 -3.847 5.761 1.00 0.00 N ATOM 579 CA ALA A 40 -8.894 -2.971 6.539 1.00 0.00 C ATOM 580 C ALA A 40 -7.552 -3.665 6.782 1.00 0.00 C ATOM 581 O ALA A 40 -6.516 -3.008 6.869 1.00 0.00 O ATOM 582 CB ALA A 40 -9.598 -2.590 7.843 1.00 0.00 C ATOM 0 H ALA A 40 -9.272 -4.617 5.298 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.694 -2.048 5.995 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.953 -1.933 8.426 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.531 -2.074 7.616 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.813 -3.491 8.417 1.00 0.00 H new ATOM 588 N ASP A 41 -7.615 -4.985 6.885 1.00 0.00 N ATOM 589 CA ASP A 41 -6.418 -5.775 7.116 1.00 0.00 C ATOM 590 C ASP A 41 -5.856 -6.246 5.773 1.00 0.00 C ATOM 591 O ASP A 41 -4.658 -6.502 5.653 1.00 0.00 O ATOM 592 CB ASP A 41 -6.730 -7.014 7.958 1.00 0.00 C ATOM 593 CG ASP A 41 -6.246 -6.950 9.407 1.00 0.00 C ATOM 594 OD1 ASP A 41 -5.071 -7.314 9.630 1.00 0.00 O ATOM 595 OD2 ASP A 41 -7.062 -6.538 10.260 1.00 0.00 O ATOM 0 H ASP A 41 -8.476 -5.527 6.813 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.699 -5.150 7.646 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.808 -7.173 7.958 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.280 -7.883 7.479 1.00 0.00 H new ATOM 600 N TRP A 42 -6.746 -6.346 4.797 1.00 0.00 N ATOM 601 CA TRP A 42 -6.353 -6.781 3.467 1.00 0.00 C ATOM 602 C TRP A 42 -6.747 -5.684 2.476 1.00 0.00 C ATOM 603 O TRP A 42 -7.912 -5.296 2.405 1.00 0.00 O ATOM 604 CB TRP A 42 -6.969 -8.140 3.131 1.00 0.00 C ATOM 605 CG TRP A 42 -6.378 -9.305 3.927 1.00 0.00 C ATOM 606 CD1 TRP A 42 -6.778 -9.781 5.115 1.00 0.00 C ATOM 607 CD2 TRP A 42 -5.256 -10.128 3.542 1.00 0.00 C ATOM 608 NE1 TRP A 42 -6.000 -10.845 5.522 1.00 0.00 N ATOM 609 CE2 TRP A 42 -5.045 -11.063 4.535 1.00 0.00 C ATOM 610 CE3 TRP A 42 -4.447 -10.084 2.394 1.00 0.00 C ATOM 611 CZ2 TRP A 42 -4.028 -12.024 4.480 1.00 0.00 C ATOM 612 CZ3 TRP A 42 -3.435 -11.051 2.353 1.00 0.00 C ATOM 613 CH2 TRP A 42 -3.209 -11.999 3.344 1.00 0.00 C ATOM 0 H TRP A 42 -7.738 -6.133 4.900 1.00 0.00 H new ATOM 0 HA TRP A 42 -5.275 -6.929 3.412 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -8.043 -8.096 3.314 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.835 -8.335 2.067 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.606 -9.381 5.682 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -6.106 -11.374 6.387 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.594 -9.361 1.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.883 -12.745 5.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.785 -11.061 1.491 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -2.406 -12.713 3.239 1.00 0.00 H new ATOM 624 N TRP A 43 -5.753 -5.217 1.734 1.00 0.00 N ATOM 625 CA TRP A 43 -5.982 -4.173 0.750 1.00 0.00 C ATOM 626 C TRP A 43 -5.773 -4.779 -0.639 1.00 0.00 C ATOM 627 O TRP A 43 -5.028 -5.746 -0.793 1.00 0.00 O ATOM 628 CB TRP A 43 -5.083 -2.963 1.015 1.00 0.00 C ATOM 629 CG TRP A 43 -5.375 -2.249 2.336 1.00 0.00 C ATOM 630 CD1 TRP A 43 -6.298 -2.561 3.256 1.00 0.00 C ATOM 631 CD2 TRP A 43 -4.698 -1.083 2.851 1.00 0.00 C ATOM 632 NE1 TRP A 43 -6.265 -1.685 4.322 1.00 0.00 N ATOM 633 CE2 TRP A 43 -5.261 -0.758 4.068 1.00 0.00 C ATOM 634 CE3 TRP A 43 -3.644 -0.328 2.307 1.00 0.00 C ATOM 635 CZ2 TRP A 43 -4.838 0.329 4.843 1.00 0.00 C ATOM 636 CZ3 TRP A 43 -3.232 0.754 3.094 1.00 0.00 C ATOM 637 CH2 TRP A 43 -3.789 1.095 4.320 1.00 0.00 C ATOM 0 H TRP A 43 -4.788 -5.542 1.795 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.003 -3.798 0.817 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.043 -3.288 1.012 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.197 -2.252 0.197 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.982 -3.393 3.174 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.867 -1.713 5.145 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.188 -0.564 1.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.296 0.564 5.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.424 1.367 2.722 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.415 1.947 4.867 1.00 0.00 H new ATOM 648 N TRP A 44 -6.444 -4.186 -1.616 1.00 0.00 N ATOM 649 CA TRP A 44 -6.342 -4.656 -2.987 1.00 0.00 C ATOM 650 C TRP A 44 -5.443 -3.684 -3.754 1.00 0.00 C ATOM 651 O TRP A 44 -5.842 -2.556 -4.038 1.00 0.00 O ATOM 652 CB TRP A 44 -7.727 -4.813 -3.618 1.00 0.00 C ATOM 653 CG TRP A 44 -7.697 -5.259 -5.081 1.00 0.00 C ATOM 654 CD1 TRP A 44 -7.677 -4.489 -6.178 1.00 0.00 C ATOM 655 CD2 TRP A 44 -7.685 -6.618 -5.566 1.00 0.00 C ATOM 656 NE1 TRP A 44 -7.653 -5.249 -7.329 1.00 0.00 N ATOM 657 CE2 TRP A 44 -7.658 -6.585 -6.945 1.00 0.00 C ATOM 658 CE3 TRP A 44 -7.695 -7.835 -4.862 1.00 0.00 C ATOM 659 CZ2 TRP A 44 -7.640 -7.738 -7.739 1.00 0.00 C ATOM 660 CZ3 TRP A 44 -7.677 -8.978 -5.670 1.00 0.00 C ATOM 661 CH2 TRP A 44 -7.650 -8.962 -7.060 1.00 0.00 C ATOM 0 H TRP A 44 -7.060 -3.384 -1.485 1.00 0.00 H new ATOM 0 HA TRP A 44 -5.892 -5.648 -3.022 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.299 -5.539 -3.039 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.256 -3.863 -3.549 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -7.679 -3.409 -6.163 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -7.635 -4.896 -8.286 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -7.715 -7.884 -3.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.619 -7.686 -8.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -7.685 -9.940 -5.179 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -7.637 -9.889 -7.613 1.00 0.00 H new ATOM 672 N GLY A 45 -4.245 -4.157 -4.067 1.00 0.00 N ATOM 673 CA GLY A 45 -3.287 -3.344 -4.795 1.00 0.00 C ATOM 674 C GLY A 45 -3.135 -3.834 -6.237 1.00 0.00 C ATOM 675 O GLY A 45 -3.791 -4.792 -6.643 1.00 0.00 O ATOM 0 H GLY A 45 -3.917 -5.093 -3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.612 -2.304 -4.793 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.320 -3.377 -4.292 1.00 0.00 H new ATOM 679 N GLU A 46 -2.267 -3.154 -6.971 1.00 0.00 N ATOM 680 CA GLU A 46 -2.021 -3.507 -8.359 1.00 0.00 C ATOM 681 C GLU A 46 -0.542 -3.320 -8.701 1.00 0.00 C ATOM 682 O GLU A 46 -0.009 -2.218 -8.582 1.00 0.00 O ATOM 683 CB GLU A 46 -2.909 -2.689 -9.299 1.00 0.00 C ATOM 684 CG GLU A 46 -2.583 -2.992 -10.763 1.00 0.00 C ATOM 685 CD GLU A 46 -3.274 -1.995 -11.696 1.00 0.00 C ATOM 686 OE1 GLU A 46 -4.434 -2.276 -12.067 1.00 0.00 O ATOM 687 OE2 GLU A 46 -2.627 -0.975 -12.016 1.00 0.00 O ATOM 0 H GLU A 46 -1.725 -2.360 -6.631 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.275 -4.558 -8.496 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.957 -2.914 -9.102 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.769 -1.626 -9.104 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.504 -2.951 -10.915 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.901 -4.005 -11.008 1.00 0.00 H new ATOM 694 N ARG A 47 0.079 -4.413 -9.118 1.00 0.00 N ATOM 695 CA ARG A 47 1.487 -4.383 -9.478 1.00 0.00 C ATOM 696 C ARG A 47 1.646 -4.124 -10.977 1.00 0.00 C ATOM 697 O ARG A 47 0.657 -3.977 -11.694 1.00 0.00 O ATOM 698 CB ARG A 47 2.176 -5.701 -9.119 1.00 0.00 C ATOM 699 CG ARG A 47 2.850 -5.612 -7.748 1.00 0.00 C ATOM 700 CD ARG A 47 4.287 -5.103 -7.877 1.00 0.00 C ATOM 701 NE ARG A 47 4.307 -3.624 -7.827 1.00 0.00 N ATOM 702 CZ ARG A 47 5.287 -2.868 -8.340 1.00 0.00 C ATOM 703 NH1 ARG A 47 6.333 -3.447 -8.945 1.00 0.00 N ATOM 704 NH2 ARG A 47 5.221 -1.533 -8.248 1.00 0.00 N ATOM 0 H ARG A 47 -0.367 -5.325 -9.215 1.00 0.00 H new ATOM 0 HA ARG A 47 1.956 -3.576 -8.915 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.444 -6.509 -9.117 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.919 -5.946 -9.878 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.280 -4.945 -7.101 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.849 -6.593 -7.274 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.899 -5.510 -7.073 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.721 -5.449 -8.815 1.00 0.00 H new ATOM 0 HE ARG A 47 3.526 -3.150 -7.374 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.383 -4.463 -9.015 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.079 -2.871 -9.336 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.425 -1.092 -7.787 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.967 -0.957 -8.638 1.00 0.00 H new ATOM 718 N ALA A 48 2.898 -4.076 -11.407 1.00 0.00 N ATOM 719 CA ALA A 48 3.200 -3.837 -12.808 1.00 0.00 C ATOM 720 C ALA A 48 2.499 -4.895 -13.664 1.00 0.00 C ATOM 721 O ALA A 48 2.947 -6.038 -13.734 1.00 0.00 O ATOM 722 CB ALA A 48 4.716 -3.834 -13.011 1.00 0.00 C ATOM 0 H ALA A 48 3.716 -4.199 -10.810 1.00 0.00 H new ATOM 0 HA ALA A 48 2.828 -2.861 -13.119 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.942 -3.655 -14.062 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.163 -3.046 -12.404 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.125 -4.799 -12.711 1.00 0.00 H new ATOM 728 N GLY A 49 1.411 -4.475 -14.292 1.00 0.00 N ATOM 729 CA GLY A 49 0.644 -5.372 -15.140 1.00 0.00 C ATOM 730 C GLY A 49 0.067 -6.534 -14.329 1.00 0.00 C ATOM 731 O GLY A 49 -0.494 -7.472 -14.893 1.00 0.00 O ATOM 0 H GLY A 49 1.042 -3.526 -14.231 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.165 -4.821 -15.620 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.281 -5.760 -15.935 1.00 0.00 H new ATOM 735 N CYS A 50 0.224 -6.434 -13.017 1.00 0.00 N ATOM 736 CA CYS A 50 -0.274 -7.464 -12.122 1.00 0.00 C ATOM 737 C CYS A 50 -1.375 -6.854 -11.252 1.00 0.00 C ATOM 738 O CYS A 50 -1.439 -5.637 -11.089 1.00 0.00 O ATOM 739 CB CYS A 50 0.849 -8.072 -11.279 1.00 0.00 C ATOM 740 SG CYS A 50 1.451 -9.615 -12.057 1.00 0.00 S ATOM 0 H CYS A 50 0.690 -5.654 -12.552 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.688 -8.287 -12.705 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.669 -7.360 -11.182 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.487 -8.280 -10.272 1.00 0.00 H new ATOM 0 HG CYS A 50 2.406 -10.122 -11.334 1.00 0.00 H new ATOM 746 N CYS A 51 -2.214 -7.729 -10.717 1.00 0.00 N ATOM 747 CA CYS A 51 -3.310 -7.291 -9.868 1.00 0.00 C ATOM 748 C CYS A 51 -3.581 -8.384 -8.833 1.00 0.00 C ATOM 749 O CYS A 51 -4.052 -9.467 -9.176 1.00 0.00 O ATOM 750 CB CYS A 51 -4.559 -6.956 -10.685 1.00 0.00 C ATOM 751 SG CYS A 51 -4.097 -5.994 -12.171 1.00 0.00 S ATOM 0 H CYS A 51 -2.157 -8.738 -10.855 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.032 -6.369 -9.357 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.067 -7.874 -10.980 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.260 -6.385 -10.076 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.888 -5.537 -12.034 1.00 0.00 H new ATOM 757 N GLY A 52 -3.271 -8.063 -7.585 1.00 0.00 N ATOM 758 CA GLY A 52 -3.475 -9.004 -6.497 1.00 0.00 C ATOM 759 C GLY A 52 -3.797 -8.272 -5.192 1.00 0.00 C ATOM 760 O GLY A 52 -3.911 -7.047 -5.175 1.00 0.00 O ATOM 0 H GLY A 52 -2.880 -7.164 -7.303 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.289 -9.684 -6.747 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.581 -9.613 -6.365 1.00 0.00 H new ATOM 764 N TYR A 53 -3.933 -9.053 -4.131 1.00 0.00 N ATOM 765 CA TYR A 53 -4.239 -8.495 -2.825 1.00 0.00 C ATOM 766 C TYR A 53 -2.959 -8.214 -2.035 1.00 0.00 C ATOM 767 O TYR A 53 -1.944 -8.880 -2.233 1.00 0.00 O ATOM 768 CB TYR A 53 -5.053 -9.562 -2.091 1.00 0.00 C ATOM 769 CG TYR A 53 -6.557 -9.283 -2.056 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.056 -8.292 -1.234 1.00 0.00 C ATOM 771 CD2 TYR A 53 -7.415 -10.021 -2.845 1.00 0.00 C ATOM 772 CE1 TYR A 53 -8.471 -8.029 -1.201 1.00 0.00 C ATOM 773 CE2 TYR A 53 -8.830 -9.758 -2.812 1.00 0.00 C ATOM 774 CZ TYR A 53 -9.289 -8.775 -1.992 1.00 0.00 C ATOM 775 OH TYR A 53 -10.625 -8.527 -1.961 1.00 0.00 O ATOM 0 H TYR A 53 -3.837 -10.068 -4.149 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.779 -7.554 -2.927 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.884 -10.527 -2.570 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.685 -9.645 -1.068 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.385 -7.714 -0.616 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.025 -10.796 -3.488 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.874 -7.257 -0.563 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -9.512 -10.329 -3.425 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.085 -9.135 -2.577 1.00 0.00 H new ATOM 785 N ILE A 54 -3.049 -7.226 -1.157 1.00 0.00 N ATOM 786 CA ILE A 54 -1.911 -6.848 -0.336 1.00 0.00 C ATOM 787 C ILE A 54 -2.373 -6.649 1.108 1.00 0.00 C ATOM 788 O ILE A 54 -3.509 -6.242 1.350 1.00 0.00 O ATOM 789 CB ILE A 54 -1.204 -5.628 -0.930 1.00 0.00 C ATOM 790 CG1 ILE A 54 -2.217 -4.610 -1.457 1.00 0.00 C ATOM 791 CG2 ILE A 54 -0.198 -6.047 -2.005 1.00 0.00 C ATOM 792 CD1 ILE A 54 -1.593 -3.216 -1.554 1.00 0.00 C ATOM 0 H ILE A 54 -3.893 -6.676 -0.996 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.167 -7.645 -0.325 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.641 -5.139 -0.136 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.574 -4.922 -2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.084 -4.579 -0.797 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.291 -5.161 -2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.551 -6.705 -1.565 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.719 -6.573 -2.805 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.334 -2.511 -1.931 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.259 -2.897 -0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.741 -3.245 -2.233 1.00 0.00 H new ATOM 804 N PRO A 55 -1.446 -6.952 2.056 1.00 0.00 N ATOM 805 CA PRO A 55 -1.747 -6.810 3.470 1.00 0.00 C ATOM 806 C PRO A 55 -1.741 -5.337 3.887 1.00 0.00 C ATOM 807 O PRO A 55 -1.171 -4.495 3.195 1.00 0.00 O ATOM 808 CB PRO A 55 -0.685 -7.632 4.183 1.00 0.00 C ATOM 809 CG PRO A 55 0.439 -7.823 3.178 1.00 0.00 C ATOM 810 CD PRO A 55 -0.091 -7.436 1.807 1.00 0.00 C ATOM 0 HA PRO A 55 -2.745 -7.165 3.725 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.328 -7.118 5.076 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.087 -8.592 4.507 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.297 -7.206 3.444 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.779 -8.859 3.178 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.527 -6.665 1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.094 -8.289 1.128 1.00 0.00 H new ATOM 818 N ALA A 56 -2.383 -5.073 5.015 1.00 0.00 N ATOM 819 CA ALA A 56 -2.459 -3.717 5.532 1.00 0.00 C ATOM 820 C ALA A 56 -1.570 -3.597 6.772 1.00 0.00 C ATOM 821 O ALA A 56 -2.052 -3.706 7.898 1.00 0.00 O ATOM 822 CB ALA A 56 -3.918 -3.363 5.825 1.00 0.00 C ATOM 0 H ALA A 56 -2.855 -5.774 5.585 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.092 -3.004 4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.975 -2.346 6.213 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.501 -3.434 4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.319 -4.056 6.564 1.00 0.00 H new ATOM 828 N ASN A 57 -0.288 -3.376 6.522 1.00 0.00 N ATOM 829 CA ASN A 57 0.673 -3.240 7.604 1.00 0.00 C ATOM 830 C ASN A 57 2.074 -3.063 7.017 1.00 0.00 C ATOM 831 O ASN A 57 2.864 -2.263 7.516 1.00 0.00 O ATOM 832 CB ASN A 57 0.685 -4.489 8.488 1.00 0.00 C ATOM 833 CG ASN A 57 1.525 -4.260 9.747 1.00 0.00 C ATOM 834 OD1 ASN A 57 2.711 -3.983 9.692 1.00 0.00 O ATOM 835 ND2 ASN A 57 0.844 -4.392 10.882 1.00 0.00 N ATOM 0 H ASN A 57 0.108 -3.288 5.586 1.00 0.00 H new ATOM 0 HA ASN A 57 0.387 -2.376 8.203 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.335 -4.750 8.769 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.087 -5.333 7.927 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.314 -4.260 11.777 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.149 -4.626 10.857 1.00 0.00 H new ATOM 842 N HIS A 58 2.341 -3.823 5.964 1.00 0.00 N ATOM 843 CA HIS A 58 3.633 -3.759 5.303 1.00 0.00 C ATOM 844 C HIS A 58 3.765 -2.428 4.560 1.00 0.00 C ATOM 845 O HIS A 58 4.873 -1.993 4.251 1.00 0.00 O ATOM 846 CB HIS A 58 3.837 -4.970 4.391 1.00 0.00 C ATOM 847 CG HIS A 58 4.272 -6.220 5.118 1.00 0.00 C ATOM 848 ND1 HIS A 58 3.376 -7.157 5.602 1.00 0.00 N ATOM 849 CD2 HIS A 58 5.517 -6.678 5.437 1.00 0.00 C ATOM 850 CE1 HIS A 58 4.061 -8.130 6.185 1.00 0.00 C ATOM 851 NE2 HIS A 58 5.388 -7.831 6.082 1.00 0.00 N ATOM 0 H HIS A 58 1.684 -4.486 5.553 1.00 0.00 H new ATOM 0 HA HIS A 58 4.428 -3.800 6.047 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.906 -5.175 3.862 1.00 0.00 H new ATOM 0 HB3 HIS A 58 4.584 -4.722 3.637 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.450 -6.186 5.204 1.00 0.00 H new ATOM 0 HE1 HIS A 58 3.642 -9.006 6.658 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.155 -8.400 6.441 1.00 0.00 H new ATOM 859 N VAL A 59 2.618 -1.819 4.295 1.00 0.00 N ATOM 860 CA VAL A 59 2.592 -0.547 3.594 1.00 0.00 C ATOM 861 C VAL A 59 1.962 0.515 4.498 1.00 0.00 C ATOM 862 O VAL A 59 1.040 0.222 5.257 1.00 0.00 O ATOM 863 CB VAL A 59 1.864 -0.702 2.257 1.00 0.00 C ATOM 864 CG1 VAL A 59 2.716 -1.488 1.258 1.00 0.00 C ATOM 865 CG2 VAL A 59 0.497 -1.360 2.449 1.00 0.00 C ATOM 0 H VAL A 59 1.701 -2.183 4.553 1.00 0.00 H new ATOM 0 HA VAL A 59 3.605 -0.217 3.362 1.00 0.00 H new ATOM 0 HB VAL A 59 1.700 0.295 1.847 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.176 -1.584 0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.654 -0.961 1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.925 -2.480 1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.001 -1.458 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.627 -2.347 2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.114 -0.744 3.109 1.00 0.00 H new