USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 405 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 13 TYR OH : rot 180:sc= -0.0613 USER MOD Set 1.2: A 16 GLN : amide:sc= 0.00324 X(o=-0.058,f=-0.066) USER MOD Single : A 6 GLN : amide:sc= 1.02 K(o=1,f=-0.53) USER MOD Single : A 7 CYS SG : rot 173:sc= -0.0841 USER MOD Single : A 8 LYS NZ :NH3+ -172:sc= 1.07 (180deg=0.975) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.0202 F(o=-1,f=-0.02) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 42:sc= 0.744 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 46 ASN : amide:sc= -0.0155 K(o=-0.016,f=-0.89) USER MOD Single : A 47 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.17) USER MOD Single : A 53 SER OG : rot -22:sc= 0.309 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 158:sc= -0.0896 (180deg=-0.455) USER MOD ----------------------------------------------------------------- ATOM 69 N GLN A 6 9.848 0.281 2.401 1.00 0.00 N ATOM 70 CA GLN A 6 8.435 0.561 2.434 1.00 0.00 C ATOM 71 C GLN A 6 8.071 1.522 1.317 1.00 0.00 C ATOM 72 O GLN A 6 8.956 2.137 0.710 1.00 0.00 O ATOM 73 CB GLN A 6 8.038 1.127 3.787 1.00 0.00 C ATOM 74 CG GLN A 6 8.276 0.185 4.957 1.00 0.00 C ATOM 75 CD GLN A 6 7.844 0.787 6.278 1.00 0.00 C ATOM 76 OE1 GLN A 6 7.889 2.011 6.472 1.00 0.00 O ATOM 77 NE2 GLN A 6 7.399 -0.040 7.182 1.00 0.00 N ATOM 0 HA GLN A 6 7.886 -0.368 2.283 1.00 0.00 H new ATOM 0 HB2 GLN A 6 8.595 2.048 3.959 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.981 1.393 3.760 1.00 0.00 H new ATOM 0 HG2 GLN A 6 7.732 -0.744 4.789 1.00 0.00 H new ATOM 0 HG3 GLN A 6 9.335 -0.070 5.006 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.376 -1.041 6.990 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.074 0.314 8.082 1.00 0.00 H new ATOM 86 N CYS A 7 6.800 1.684 1.060 1.00 0.00 N ATOM 87 CA CYS A 7 6.373 2.497 -0.047 1.00 0.00 C ATOM 88 C CYS A 7 5.518 3.679 0.397 1.00 0.00 C ATOM 89 O CYS A 7 4.545 3.515 1.145 1.00 0.00 O ATOM 90 CB CYS A 7 5.638 1.627 -1.072 1.00 0.00 C ATOM 91 SG CYS A 7 4.277 0.656 -0.381 1.00 0.00 S ATOM 0 H CYS A 7 6.044 1.265 1.601 1.00 0.00 H new ATOM 0 HA CYS A 7 7.260 2.924 -0.515 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.247 2.268 -1.862 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.354 0.949 -1.536 1.00 0.00 H new ATOM 0 HG CYS A 7 3.629 0.071 -1.344 1.00 0.00 H new ATOM 97 N LYS A 8 5.888 4.859 -0.056 1.00 0.00 N ATOM 98 CA LYS A 8 5.150 6.067 0.242 1.00 0.00 C ATOM 99 C LYS A 8 4.010 6.214 -0.724 1.00 0.00 C ATOM 100 O LYS A 8 4.119 5.851 -1.892 1.00 0.00 O ATOM 101 CB LYS A 8 6.033 7.308 0.143 1.00 0.00 C ATOM 102 CG LYS A 8 5.300 8.634 0.362 1.00 0.00 C ATOM 103 CD LYS A 8 6.182 9.829 0.088 1.00 0.00 C ATOM 104 CE LYS A 8 5.399 11.130 0.199 1.00 0.00 C ATOM 105 NZ LYS A 8 4.337 11.262 -0.843 1.00 0.00 N ATOM 0 H LYS A 8 6.710 5.007 -0.642 1.00 0.00 H new ATOM 0 HA LYS A 8 4.782 5.982 1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.835 7.226 0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.502 7.326 -0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.425 8.674 -0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.937 8.681 1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.013 9.840 0.794 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.613 9.745 -0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.941 11.189 1.186 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.088 11.971 0.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.930 12.218 -0.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.751 11.099 -1.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.590 10.560 -0.668 1.00 0.00 H new ATOM 119 N VAL A 9 2.969 6.776 -0.240 1.00 0.00 N ATOM 120 CA VAL A 9 1.772 7.017 -1.004 1.00 0.00 C ATOM 121 C VAL A 9 1.857 8.397 -1.657 1.00 0.00 C ATOM 122 O VAL A 9 2.262 9.377 -1.008 1.00 0.00 O ATOM 123 CB VAL A 9 0.520 6.938 -0.099 1.00 0.00 C ATOM 124 CG1 VAL A 9 -0.746 7.219 -0.878 1.00 0.00 C ATOM 125 CG2 VAL A 9 0.431 5.578 0.559 1.00 0.00 C ATOM 0 H VAL A 9 2.908 7.097 0.726 1.00 0.00 H new ATOM 0 HA VAL A 9 1.686 6.251 -1.775 1.00 0.00 H new ATOM 0 HB VAL A 9 0.620 7.704 0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.606 7.155 -0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.694 8.219 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.852 6.485 -1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.455 5.538 1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.364 4.806 -0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.320 5.409 1.167 1.00 0.00 H new ATOM 135 N LEU A 10 1.522 8.452 -2.926 1.00 0.00 N ATOM 136 CA LEU A 10 1.533 9.673 -3.711 1.00 0.00 C ATOM 137 C LEU A 10 0.140 10.285 -3.719 1.00 0.00 C ATOM 138 O LEU A 10 -0.061 11.426 -3.296 1.00 0.00 O ATOM 139 CB LEU A 10 1.886 9.353 -5.159 1.00 0.00 C ATOM 140 CG LEU A 10 3.166 8.585 -5.427 1.00 0.00 C ATOM 141 CD1 LEU A 10 3.249 8.282 -6.910 1.00 0.00 C ATOM 142 CD2 LEU A 10 4.384 9.376 -4.964 1.00 0.00 C ATOM 0 H LEU A 10 1.227 7.632 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 10 2.261 10.356 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.060 8.785 -5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.941 10.295 -5.705 1.00 0.00 H new ATOM 0 HG LEU A 10 3.155 7.652 -4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.165 7.729 -7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.389 7.683 -7.208 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.253 9.216 -7.472 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.289 8.803 -5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.427 10.324 -5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.309 9.567 -3.893 1.00 0.00 H new ATOM 154 N PHE A 11 -0.814 9.508 -4.203 1.00 0.00 N ATOM 155 CA PHE A 11 -2.190 9.939 -4.339 1.00 0.00 C ATOM 156 C PHE A 11 -3.072 9.024 -3.541 1.00 0.00 C ATOM 157 O PHE A 11 -2.679 7.904 -3.225 1.00 0.00 O ATOM 158 CB PHE A 11 -2.651 9.901 -5.810 1.00 0.00 C ATOM 159 CG PHE A 11 -1.917 10.819 -6.751 1.00 0.00 C ATOM 160 CD1 PHE A 11 -0.763 10.402 -7.394 1.00 0.00 C ATOM 161 CD2 PHE A 11 -2.394 12.092 -7.002 1.00 0.00 C ATOM 162 CE1 PHE A 11 -0.098 11.240 -8.262 1.00 0.00 C ATOM 163 CE2 PHE A 11 -1.734 12.935 -7.872 1.00 0.00 C ATOM 164 CZ PHE A 11 -0.585 12.506 -8.503 1.00 0.00 C ATOM 0 H PHE A 11 -0.651 8.551 -4.515 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.260 10.965 -3.978 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.550 8.879 -6.176 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.712 10.148 -5.845 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.380 9.409 -7.213 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.294 12.431 -6.511 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.804 10.905 -8.753 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.116 13.928 -8.058 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.067 13.163 -9.186 1.00 0.00 H new ATOM 174 N ASP A 12 -4.248 9.484 -3.230 1.00 0.00 N ATOM 175 CA ASP A 12 -5.204 8.700 -2.481 1.00 0.00 C ATOM 176 C ASP A 12 -5.931 7.739 -3.405 1.00 0.00 C ATOM 177 O ASP A 12 -5.985 7.941 -4.627 1.00 0.00 O ATOM 178 CB ASP A 12 -6.209 9.593 -1.742 1.00 0.00 C ATOM 179 CG ASP A 12 -7.076 10.413 -2.669 1.00 0.00 C ATOM 180 OD1 ASP A 12 -6.606 11.478 -3.151 1.00 0.00 O ATOM 181 OD2 ASP A 12 -8.231 10.026 -2.928 1.00 0.00 O ATOM 0 H ASP A 12 -4.578 10.414 -3.486 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.655 8.129 -1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.847 8.969 -1.116 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.667 10.264 -1.075 1.00 0.00 H new ATOM 186 N TYR A 13 -6.479 6.707 -2.830 1.00 0.00 N ATOM 187 CA TYR A 13 -7.151 5.675 -3.576 1.00 0.00 C ATOM 188 C TYR A 13 -8.621 5.594 -3.211 1.00 0.00 C ATOM 189 O TYR A 13 -9.475 5.789 -4.078 1.00 0.00 O ATOM 190 CB TYR A 13 -6.440 4.323 -3.361 1.00 0.00 C ATOM 191 CG TYR A 13 -7.203 3.115 -3.847 1.00 0.00 C ATOM 192 CD1 TYR A 13 -7.689 3.049 -5.142 1.00 0.00 C ATOM 193 CD2 TYR A 13 -7.468 2.061 -2.988 1.00 0.00 C ATOM 194 CE1 TYR A 13 -8.415 1.967 -5.577 1.00 0.00 C ATOM 195 CE2 TYR A 13 -8.206 0.967 -3.413 1.00 0.00 C ATOM 196 CZ TYR A 13 -8.677 0.927 -4.713 1.00 0.00 C ATOM 197 OH TYR A 13 -9.431 -0.145 -5.143 1.00 0.00 O ATOM 0 H TYR A 13 -6.473 6.554 -1.822 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.102 5.926 -4.635 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.475 4.353 -3.868 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.237 4.202 -2.297 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -7.493 3.864 -5.823 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -7.095 2.092 -1.975 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -8.779 1.932 -6.593 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -8.412 0.152 -2.734 1.00 0.00 H new ATOM 0 HH TYR A 13 -9.523 -0.793 -4.414 1.00 0.00 H new ATOM 207 N SER A 14 -8.892 5.361 -1.924 1.00 0.00 N ATOM 208 CA SER A 14 -10.228 5.127 -1.390 1.00 0.00 C ATOM 209 C SER A 14 -10.715 3.743 -1.843 1.00 0.00 C ATOM 210 O SER A 14 -11.011 3.537 -3.027 1.00 0.00 O ATOM 211 CB SER A 14 -11.228 6.256 -1.783 1.00 0.00 C ATOM 212 OG SER A 14 -12.523 6.059 -1.219 1.00 0.00 O ATOM 0 H SER A 14 -8.165 5.330 -1.209 1.00 0.00 H new ATOM 0 HA SER A 14 -10.178 5.147 -0.301 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.834 7.217 -1.453 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.311 6.302 -2.869 1.00 0.00 H new ATOM 0 HG SER A 14 -13.114 6.792 -1.492 1.00 0.00 H new ATOM 218 N PRO A 15 -10.727 2.748 -0.926 1.00 0.00 N ATOM 219 CA PRO A 15 -11.185 1.403 -1.244 1.00 0.00 C ATOM 220 C PRO A 15 -12.619 1.406 -1.722 1.00 0.00 C ATOM 221 O PRO A 15 -13.418 2.281 -1.355 1.00 0.00 O ATOM 222 CB PRO A 15 -11.114 0.646 0.075 1.00 0.00 C ATOM 223 CG PRO A 15 -10.232 1.436 0.949 1.00 0.00 C ATOM 224 CD PRO A 15 -10.294 2.863 0.469 1.00 0.00 C ATOM 0 HA PRO A 15 -10.580 0.962 -2.036 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.105 0.537 0.516 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.719 -0.359 -0.073 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.555 1.365 1.988 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.210 1.059 0.906 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -10.997 3.452 1.058 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.323 3.353 0.547 1.00 0.00 H new ATOM 232 N GLN A 16 -12.947 0.420 -2.476 1.00 0.00 N ATOM 233 CA GLN A 16 -14.258 0.267 -3.020 1.00 0.00 C ATOM 234 C GLN A 16 -15.117 -0.406 -1.961 1.00 0.00 C ATOM 235 O GLN A 16 -16.327 -0.164 -1.861 1.00 0.00 O ATOM 236 CB GLN A 16 -14.165 -0.581 -4.280 1.00 0.00 C ATOM 237 CG GLN A 16 -13.250 0.007 -5.349 1.00 0.00 C ATOM 238 CD GLN A 16 -12.924 -0.982 -6.447 1.00 0.00 C ATOM 239 OE1 GLN A 16 -13.633 -1.085 -7.455 1.00 0.00 O ATOM 240 NE2 GLN A 16 -11.844 -1.697 -6.283 1.00 0.00 N ATOM 0 H GLN A 16 -12.300 -0.323 -2.741 1.00 0.00 H new ATOM 0 HA GLN A 16 -14.703 1.225 -3.288 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.805 -1.575 -4.013 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.164 -0.706 -4.698 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.726 0.885 -5.786 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.324 0.345 -4.883 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.282 -1.586 -5.439 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.562 -2.366 -6.999 1.00 0.00 H new ATOM 249 N ASN A 17 -14.461 -1.211 -1.139 1.00 0.00 N ATOM 250 CA ASN A 17 -15.106 -1.888 -0.040 1.00 0.00 C ATOM 251 C ASN A 17 -14.605 -1.338 1.243 1.00 0.00 C ATOM 252 O ASN A 17 -15.219 -0.451 1.838 1.00 0.00 O ATOM 253 CB ASN A 17 -14.911 -3.423 -0.080 1.00 0.00 C ATOM 254 CG ASN A 17 -15.660 -4.138 -1.187 1.00 0.00 C ATOM 255 OD1 ASN A 17 -16.837 -3.689 -1.503 1.00 0.00 O flip ATOM 256 ND2 ASN A 17 -15.173 -5.135 -1.728 1.00 0.00 N flip ATOM 0 H ASN A 17 -13.464 -1.409 -1.221 1.00 0.00 H new ATOM 0 HA ASN A 17 -16.177 -1.710 -0.131 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -13.847 -3.636 -0.186 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -15.225 -3.839 0.877 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -14.246 -5.461 -1.456 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -15.698 -5.633 -2.447 1.00 0.00 H new ATOM 263 N GLU A 18 -13.456 -1.819 1.604 1.00 0.00 N ATOM 264 CA GLU A 18 -12.753 -1.475 2.858 1.00 0.00 C ATOM 265 C GLU A 18 -11.606 -2.452 3.076 1.00 0.00 C ATOM 266 O GLU A 18 -10.630 -2.146 3.757 1.00 0.00 O ATOM 267 CB GLU A 18 -13.691 -1.588 4.065 1.00 0.00 C ATOM 268 CG GLU A 18 -13.082 -1.143 5.376 1.00 0.00 C ATOM 269 CD GLU A 18 -13.950 -1.482 6.533 1.00 0.00 C ATOM 270 OE1 GLU A 18 -14.845 -0.688 6.877 1.00 0.00 O ATOM 271 OE2 GLU A 18 -13.770 -2.566 7.119 1.00 0.00 O ATOM 0 H GLU A 18 -12.941 -2.488 1.032 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.392 -0.450 2.769 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.583 -0.992 3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.014 -2.624 4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.108 -1.615 5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.914 -0.066 5.351 1.00 0.00 H new ATOM 278 N ASP A 19 -11.741 -3.632 2.498 1.00 0.00 N ATOM 279 CA ASP A 19 -10.758 -4.690 2.684 1.00 0.00 C ATOM 280 C ASP A 19 -9.468 -4.385 1.924 1.00 0.00 C ATOM 281 O ASP A 19 -8.403 -4.930 2.223 1.00 0.00 O ATOM 282 CB ASP A 19 -11.337 -6.045 2.281 1.00 0.00 C ATOM 283 CG ASP A 19 -10.441 -7.186 2.674 1.00 0.00 C ATOM 284 OD1 ASP A 19 -10.278 -7.425 3.897 1.00 0.00 O ATOM 285 OD2 ASP A 19 -9.880 -7.860 1.784 1.00 0.00 O ATOM 0 H ASP A 19 -12.523 -3.884 1.894 1.00 0.00 H new ATOM 0 HA ASP A 19 -10.508 -4.737 3.744 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -12.313 -6.174 2.748 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.495 -6.064 1.203 1.00 0.00 H new ATOM 290 N GLU A 20 -9.582 -3.542 0.932 1.00 0.00 N ATOM 291 CA GLU A 20 -8.444 -3.044 0.204 1.00 0.00 C ATOM 292 C GLU A 20 -7.761 -2.032 1.102 1.00 0.00 C ATOM 293 O GLU A 20 -8.425 -1.380 1.915 1.00 0.00 O ATOM 294 CB GLU A 20 -8.852 -2.350 -1.114 1.00 0.00 C ATOM 295 CG GLU A 20 -9.892 -3.085 -1.959 1.00 0.00 C ATOM 296 CD GLU A 20 -11.330 -2.844 -1.504 1.00 0.00 C ATOM 297 OE1 GLU A 20 -11.799 -3.451 -0.514 1.00 0.00 O ATOM 298 OE2 GLU A 20 -12.028 -2.061 -2.150 1.00 0.00 O ATOM 0 H GLU A 20 -10.476 -3.178 0.603 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.792 -3.877 -0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.239 -1.359 -0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.957 -2.205 -1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.791 -2.772 -2.998 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.684 -4.154 -1.927 1.00 0.00 H new ATOM 305 N LEU A 21 -6.487 -1.875 0.966 1.00 0.00 N ATOM 306 CA LEU A 21 -5.776 -1.010 1.853 1.00 0.00 C ATOM 307 C LEU A 21 -5.943 0.459 1.474 1.00 0.00 C ATOM 308 O LEU A 21 -5.612 0.881 0.356 1.00 0.00 O ATOM 309 CB LEU A 21 -4.303 -1.400 1.951 1.00 0.00 C ATOM 310 CG LEU A 21 -3.462 -0.576 2.926 1.00 0.00 C ATOM 311 CD1 LEU A 21 -4.005 -0.686 4.342 1.00 0.00 C ATOM 312 CD2 LEU A 21 -2.027 -1.020 2.881 1.00 0.00 C ATOM 0 H LEU A 21 -5.917 -2.331 0.254 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.216 -1.135 2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.242 -2.448 2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.858 -1.320 0.959 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.517 0.469 2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.388 -0.091 5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.031 -0.318 4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.986 -1.729 4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.440 -0.425 3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.963 -2.072 3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.636 -0.885 1.872 1.00 0.00 H new ATOM 324 N GLU A 22 -6.539 1.204 2.393 1.00 0.00 N ATOM 325 CA GLU A 22 -6.695 2.611 2.294 1.00 0.00 C ATOM 326 C GLU A 22 -5.322 3.266 2.205 1.00 0.00 C ATOM 327 O GLU A 22 -4.452 3.018 3.043 1.00 0.00 O ATOM 328 CB GLU A 22 -7.407 3.102 3.541 1.00 0.00 C ATOM 329 CG GLU A 22 -8.402 4.168 3.250 1.00 0.00 C ATOM 330 CD GLU A 22 -9.076 4.708 4.484 1.00 0.00 C ATOM 331 OE1 GLU A 22 -8.523 5.618 5.133 1.00 0.00 O ATOM 332 OE2 GLU A 22 -10.183 4.234 4.831 1.00 0.00 O ATOM 0 H GLU A 22 -6.933 0.814 3.249 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.273 2.865 1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.910 2.263 4.022 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.671 3.481 4.250 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.905 4.986 2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.160 3.773 2.574 1.00 0.00 H new ATOM 339 N LEU A 23 -5.132 4.073 1.203 1.00 0.00 N ATOM 340 CA LEU A 23 -3.874 4.732 1.003 1.00 0.00 C ATOM 341 C LEU A 23 -3.886 6.086 1.690 1.00 0.00 C ATOM 342 O LEU A 23 -4.709 6.955 1.348 1.00 0.00 O ATOM 343 CB LEU A 23 -3.584 4.923 -0.496 1.00 0.00 C ATOM 344 CG LEU A 23 -3.483 3.668 -1.361 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.977 4.021 -2.741 1.00 0.00 C ATOM 346 CD2 LEU A 23 -2.579 2.658 -0.735 1.00 0.00 C ATOM 0 H LEU A 23 -5.841 4.293 0.504 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.091 4.107 1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.368 5.556 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.647 5.472 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.480 3.236 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.910 3.117 -3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.665 4.723 -3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.991 4.478 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.525 1.774 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.582 3.084 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.969 2.377 0.243 1.00 0.00 H new ATOM 358 N ILE A 24 -3.032 6.277 2.663 1.00 0.00 N ATOM 359 CA ILE A 24 -2.945 7.567 3.292 1.00 0.00 C ATOM 360 C ILE A 24 -1.904 8.391 2.589 1.00 0.00 C ATOM 361 O ILE A 24 -0.700 8.081 2.610 1.00 0.00 O ATOM 362 CB ILE A 24 -2.692 7.528 4.824 1.00 0.00 C ATOM 363 CG1 ILE A 24 -3.839 6.792 5.538 1.00 0.00 C ATOM 364 CG2 ILE A 24 -2.548 8.952 5.368 1.00 0.00 C ATOM 365 CD1 ILE A 24 -5.208 7.409 5.324 1.00 0.00 C ATOM 0 H ILE A 24 -2.398 5.568 3.031 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.927 8.029 3.192 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.766 6.986 5.014 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.862 5.758 5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.628 6.767 6.607 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.371 8.915 6.443 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.708 9.445 4.879 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.462 9.511 5.170 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.957 6.828 5.862 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.208 8.434 5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.445 7.410 4.260 1.00 0.00 H new ATOM 377 N VAL A 25 -2.375 9.425 1.972 1.00 0.00 N ATOM 378 CA VAL A 25 -1.576 10.277 1.145 1.00 0.00 C ATOM 379 C VAL A 25 -0.513 11.023 1.971 1.00 0.00 C ATOM 380 O VAL A 25 -0.809 11.642 3.004 1.00 0.00 O ATOM 381 CB VAL A 25 -2.480 11.239 0.317 1.00 0.00 C ATOM 382 CG1 VAL A 25 -3.369 12.082 1.210 1.00 0.00 C ATOM 383 CG2 VAL A 25 -1.664 12.110 -0.615 1.00 0.00 C ATOM 0 H VAL A 25 -3.353 9.710 2.029 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.029 9.658 0.433 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.128 10.614 -0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.984 12.739 0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.013 11.431 1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.750 12.683 1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.330 12.767 -1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.966 12.712 -0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.108 11.479 -1.309 1.00 0.00 H new ATOM 393 N GLY A 26 0.723 10.909 1.538 1.00 0.00 N ATOM 394 CA GLY A 26 1.825 11.530 2.234 1.00 0.00 C ATOM 395 C GLY A 26 2.463 10.603 3.255 1.00 0.00 C ATOM 396 O GLY A 26 3.537 10.896 3.780 1.00 0.00 O ATOM 0 H GLY A 26 0.990 10.389 0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.578 11.842 1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.472 12.431 2.736 1.00 0.00 H new ATOM 400 N ASP A 27 1.829 9.472 3.515 1.00 0.00 N ATOM 401 CA ASP A 27 2.325 8.552 4.528 1.00 0.00 C ATOM 402 C ASP A 27 2.969 7.331 3.850 1.00 0.00 C ATOM 403 O ASP A 27 2.972 7.243 2.607 1.00 0.00 O ATOM 404 CB ASP A 27 1.191 8.154 5.495 1.00 0.00 C ATOM 405 CG ASP A 27 1.694 7.525 6.775 1.00 0.00 C ATOM 406 OD1 ASP A 27 2.242 8.258 7.637 1.00 0.00 O ATOM 407 OD2 ASP A 27 1.596 6.313 6.937 1.00 0.00 O ATOM 0 H ASP A 27 0.977 9.169 3.044 1.00 0.00 H new ATOM 0 HA ASP A 27 3.094 9.043 5.125 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.603 9.039 5.739 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.522 7.455 4.993 1.00 0.00 H new ATOM 412 N VAL A 28 3.492 6.401 4.633 1.00 0.00 N ATOM 413 CA VAL A 28 4.250 5.276 4.107 1.00 0.00 C ATOM 414 C VAL A 28 3.651 3.947 4.574 1.00 0.00 C ATOM 415 O VAL A 28 3.450 3.731 5.774 1.00 0.00 O ATOM 416 CB VAL A 28 5.737 5.352 4.557 1.00 0.00 C ATOM 417 CG1 VAL A 28 6.546 4.221 3.960 1.00 0.00 C ATOM 418 CG2 VAL A 28 6.354 6.691 4.196 1.00 0.00 C ATOM 0 H VAL A 28 3.404 6.404 5.649 1.00 0.00 H new ATOM 0 HA VAL A 28 4.200 5.328 3.019 1.00 0.00 H new ATOM 0 HB VAL A 28 5.755 5.251 5.642 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.581 4.300 4.292 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.132 3.266 4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.508 4.281 2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.393 6.713 4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.311 6.832 3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.801 7.491 4.689 1.00 0.00 H new ATOM 428 N ILE A 29 3.421 3.065 3.637 1.00 0.00 N ATOM 429 CA ILE A 29 2.828 1.761 3.889 1.00 0.00 C ATOM 430 C ILE A 29 3.908 0.699 4.040 1.00 0.00 C ATOM 431 O ILE A 29 4.919 0.717 3.312 1.00 0.00 O ATOM 432 CB ILE A 29 1.898 1.366 2.715 1.00 0.00 C ATOM 433 CG1 ILE A 29 0.745 2.351 2.612 1.00 0.00 C ATOM 434 CG2 ILE A 29 1.383 -0.069 2.846 1.00 0.00 C ATOM 435 CD1 ILE A 29 -0.173 2.081 1.461 1.00 0.00 C ATOM 0 H ILE A 29 3.642 3.228 2.655 1.00 0.00 H new ATOM 0 HA ILE A 29 2.254 1.823 4.813 1.00 0.00 H new ATOM 0 HB ILE A 29 2.484 1.407 1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.171 2.323 3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.147 3.360 2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.735 -0.302 2.001 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.227 -0.759 2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.820 -0.170 3.774 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.971 2.823 1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.387 2.138 0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.604 1.085 1.565 1.00 0.00 H new ATOM 447 N ASP A 30 3.694 -0.219 4.970 1.00 0.00 N ATOM 448 CA ASP A 30 4.595 -1.332 5.171 1.00 0.00 C ATOM 449 C ASP A 30 4.191 -2.456 4.234 1.00 0.00 C ATOM 450 O ASP A 30 3.234 -3.195 4.497 1.00 0.00 O ATOM 451 CB ASP A 30 4.577 -1.813 6.630 1.00 0.00 C ATOM 452 CG ASP A 30 5.557 -2.941 6.890 1.00 0.00 C ATOM 453 OD1 ASP A 30 6.768 -2.749 6.648 1.00 0.00 O ATOM 454 OD2 ASP A 30 5.144 -4.022 7.353 1.00 0.00 O ATOM 0 H ASP A 30 2.893 -0.210 5.602 1.00 0.00 H new ATOM 0 HA ASP A 30 5.614 -1.011 4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.812 -0.975 7.287 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.571 -2.146 6.885 1.00 0.00 H new ATOM 459 N VAL A 31 4.846 -2.510 3.099 1.00 0.00 N ATOM 460 CA VAL A 31 4.570 -3.516 2.102 1.00 0.00 C ATOM 461 C VAL A 31 5.372 -4.775 2.411 1.00 0.00 C ATOM 462 O VAL A 31 6.493 -4.695 2.931 1.00 0.00 O ATOM 463 CB VAL A 31 4.866 -2.994 0.654 1.00 0.00 C ATOM 464 CG1 VAL A 31 6.332 -2.604 0.472 1.00 0.00 C ATOM 465 CG2 VAL A 31 4.433 -4.005 -0.406 1.00 0.00 C ATOM 0 H VAL A 31 5.586 -1.857 2.841 1.00 0.00 H new ATOM 0 HA VAL A 31 3.507 -3.756 2.137 1.00 0.00 H new ATOM 0 HB VAL A 31 4.271 -2.091 0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.490 -2.248 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.588 -1.813 1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.965 -3.472 0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.653 -3.610 -1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.974 -4.940 -0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.362 -4.188 -0.318 1.00 0.00 H new ATOM 475 N ILE A 32 4.790 -5.920 2.148 1.00 0.00 N ATOM 476 CA ILE A 32 5.450 -7.169 2.418 1.00 0.00 C ATOM 477 C ILE A 32 5.760 -7.916 1.117 1.00 0.00 C ATOM 478 O ILE A 32 6.910 -8.267 0.853 1.00 0.00 O ATOM 479 CB ILE A 32 4.595 -8.063 3.359 1.00 0.00 C ATOM 480 CG1 ILE A 32 4.305 -7.323 4.681 1.00 0.00 C ATOM 481 CG2 ILE A 32 5.317 -9.379 3.634 1.00 0.00 C ATOM 482 CD1 ILE A 32 3.428 -8.094 5.651 1.00 0.00 C ATOM 0 H ILE A 32 3.857 -6.010 1.746 1.00 0.00 H new ATOM 0 HA ILE A 32 6.390 -6.942 2.921 1.00 0.00 H new ATOM 0 HB ILE A 32 3.646 -8.282 2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.252 -7.093 5.170 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.825 -6.372 4.453 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.708 -9.997 4.294 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.483 -9.906 2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.276 -9.175 4.110 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.275 -7.501 6.553 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.465 -8.301 5.185 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.914 -9.034 5.913 1.00 0.00 H new ATOM 494 N GLU A 33 4.746 -8.141 0.306 1.00 0.00 N ATOM 495 CA GLU A 33 4.903 -8.900 -0.917 1.00 0.00 C ATOM 496 C GLU A 33 3.801 -8.491 -1.890 1.00 0.00 C ATOM 497 O GLU A 33 2.809 -7.895 -1.475 1.00 0.00 O ATOM 498 CB GLU A 33 4.816 -10.412 -0.576 1.00 0.00 C ATOM 499 CG GLU A 33 4.992 -11.366 -1.749 1.00 0.00 C ATOM 500 CD GLU A 33 6.304 -11.181 -2.459 1.00 0.00 C ATOM 501 OE1 GLU A 33 7.293 -11.838 -2.080 1.00 0.00 O ATOM 502 OE2 GLU A 33 6.360 -10.378 -3.414 1.00 0.00 O ATOM 0 H GLU A 33 3.798 -7.806 0.474 1.00 0.00 H new ATOM 0 HA GLU A 33 5.869 -8.702 -1.382 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.576 -10.641 0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.847 -10.606 -0.116 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.920 -12.393 -1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.177 -11.218 -2.457 1.00 0.00 H new ATOM 509 N GLU A 34 3.981 -8.764 -3.155 1.00 0.00 N ATOM 510 CA GLU A 34 2.969 -8.469 -4.142 1.00 0.00 C ATOM 511 C GLU A 34 2.209 -9.742 -4.490 1.00 0.00 C ATOM 512 O GLU A 34 2.795 -10.826 -4.515 1.00 0.00 O ATOM 513 CB GLU A 34 3.579 -7.843 -5.412 1.00 0.00 C ATOM 514 CG GLU A 34 4.658 -8.674 -6.068 1.00 0.00 C ATOM 515 CD GLU A 34 5.074 -8.177 -7.432 1.00 0.00 C ATOM 516 OE1 GLU A 34 5.783 -7.161 -7.532 1.00 0.00 O ATOM 517 OE2 GLU A 34 4.757 -8.851 -8.436 1.00 0.00 O ATOM 0 H GLU A 34 4.826 -9.194 -3.531 1.00 0.00 H new ATOM 0 HA GLU A 34 2.281 -7.738 -3.717 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.782 -7.671 -6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.994 -6.868 -5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.533 -8.694 -5.418 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.306 -9.701 -6.159 1.00 0.00 H new ATOM 524 N VAL A 35 0.916 -9.629 -4.714 1.00 0.00 N ATOM 525 CA VAL A 35 0.135 -10.788 -5.137 1.00 0.00 C ATOM 526 C VAL A 35 -0.073 -10.707 -6.635 1.00 0.00 C ATOM 527 O VAL A 35 -0.253 -11.706 -7.318 1.00 0.00 O ATOM 528 CB VAL A 35 -1.235 -10.906 -4.406 1.00 0.00 C ATOM 529 CG1 VAL A 35 -1.041 -10.977 -2.902 1.00 0.00 C ATOM 530 CG2 VAL A 35 -2.175 -9.770 -4.772 1.00 0.00 C ATOM 0 H VAL A 35 0.384 -8.764 -4.614 1.00 0.00 H new ATOM 0 HA VAL A 35 0.695 -11.684 -4.870 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.699 -11.834 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.012 -11.059 -2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.435 -11.849 -2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.536 -10.074 -2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.118 -9.892 -4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.722 -8.819 -4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.360 -9.783 -5.846 1.00 0.00 H new ATOM 540 N GLU A 36 -0.027 -9.491 -7.116 1.00 0.00 N ATOM 541 CA GLU A 36 -0.103 -9.151 -8.500 1.00 0.00 C ATOM 542 C GLU A 36 0.906 -8.061 -8.691 1.00 0.00 C ATOM 543 O GLU A 36 1.358 -7.487 -7.704 1.00 0.00 O ATOM 544 CB GLU A 36 -1.498 -8.630 -8.882 1.00 0.00 C ATOM 545 CG GLU A 36 -2.616 -9.652 -8.790 1.00 0.00 C ATOM 546 CD GLU A 36 -3.956 -9.069 -9.154 1.00 0.00 C ATOM 547 OE1 GLU A 36 -4.279 -8.994 -10.368 1.00 0.00 O ATOM 548 OE2 GLU A 36 -4.719 -8.695 -8.252 1.00 0.00 O ATOM 0 H GLU A 36 0.070 -8.673 -6.514 1.00 0.00 H new ATOM 0 HA GLU A 36 0.087 -10.023 -9.125 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.743 -7.787 -8.236 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.459 -8.248 -9.902 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.395 -10.489 -9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.659 -10.050 -7.776 1.00 0.00 H new ATOM 555 N GLU A 37 1.257 -7.776 -9.914 1.00 0.00 N ATOM 556 CA GLU A 37 2.241 -6.746 -10.212 1.00 0.00 C ATOM 557 C GLU A 37 1.745 -5.391 -9.728 1.00 0.00 C ATOM 558 O GLU A 37 2.508 -4.586 -9.202 1.00 0.00 O ATOM 559 CB GLU A 37 2.551 -6.664 -11.724 1.00 0.00 C ATOM 560 CG GLU A 37 3.015 -7.965 -12.390 1.00 0.00 C ATOM 561 CD GLU A 37 1.909 -8.967 -12.591 1.00 0.00 C ATOM 562 OE1 GLU A 37 1.200 -8.879 -13.609 1.00 0.00 O ATOM 563 OE2 GLU A 37 1.720 -9.859 -11.743 1.00 0.00 O ATOM 0 H GLU A 37 0.877 -8.243 -10.737 1.00 0.00 H new ATOM 0 HA GLU A 37 3.159 -7.016 -9.690 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.656 -6.315 -12.239 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.321 -5.908 -11.876 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.461 -7.730 -13.356 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.797 -8.417 -11.780 1.00 0.00 H new ATOM 570 N GLY A 38 0.463 -5.157 -9.902 1.00 0.00 N ATOM 571 CA GLY A 38 -0.120 -3.912 -9.494 1.00 0.00 C ATOM 572 C GLY A 38 -0.625 -3.934 -8.070 1.00 0.00 C ATOM 573 O GLY A 38 -0.454 -2.966 -7.340 1.00 0.00 O ATOM 0 H GLY A 38 -0.190 -5.817 -10.324 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.620 -3.119 -9.599 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.945 -3.668 -10.162 1.00 0.00 H new ATOM 577 N TRP A 39 -1.233 -5.031 -7.668 1.00 0.00 N ATOM 578 CA TRP A 39 -1.790 -5.125 -6.331 1.00 0.00 C ATOM 579 C TRP A 39 -0.796 -5.715 -5.352 1.00 0.00 C ATOM 580 O TRP A 39 -0.501 -6.931 -5.365 1.00 0.00 O ATOM 581 CB TRP A 39 -3.114 -5.898 -6.314 1.00 0.00 C ATOM 582 CG TRP A 39 -4.218 -5.216 -7.070 1.00 0.00 C ATOM 583 CD1 TRP A 39 -4.526 -5.380 -8.384 1.00 0.00 C ATOM 584 CD2 TRP A 39 -5.159 -4.254 -6.557 1.00 0.00 C ATOM 585 NE1 TRP A 39 -5.599 -4.595 -8.718 1.00 0.00 N ATOM 586 CE2 TRP A 39 -6.001 -3.891 -7.622 1.00 0.00 C ATOM 587 CE3 TRP A 39 -5.373 -3.665 -5.307 1.00 0.00 C ATOM 588 CZ2 TRP A 39 -7.034 -2.972 -7.477 1.00 0.00 C ATOM 589 CZ3 TRP A 39 -6.393 -2.756 -5.166 1.00 0.00 C ATOM 590 CH2 TRP A 39 -7.212 -2.416 -6.243 1.00 0.00 C ATOM 0 H TRP A 39 -1.355 -5.865 -8.242 1.00 0.00 H new ATOM 0 HA TRP A 39 -2.007 -4.107 -6.007 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -2.952 -6.889 -6.739 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.428 -6.042 -5.280 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.002 -6.034 -9.065 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -6.029 -4.545 -9.642 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.746 -3.921 -4.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -7.671 -2.708 -8.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -6.564 -2.296 -4.204 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -8.004 -1.697 -6.097 1.00 0.00 H new ATOM 601 N TRP A 40 -0.270 -4.856 -4.529 1.00 0.00 N ATOM 602 CA TRP A 40 0.681 -5.232 -3.520 1.00 0.00 C ATOM 603 C TRP A 40 -0.030 -5.506 -2.216 1.00 0.00 C ATOM 604 O TRP A 40 -1.117 -4.982 -1.989 1.00 0.00 O ATOM 605 CB TRP A 40 1.747 -4.142 -3.347 1.00 0.00 C ATOM 606 CG TRP A 40 2.731 -4.062 -4.486 1.00 0.00 C ATOM 607 CD1 TRP A 40 2.670 -4.728 -5.676 1.00 0.00 C ATOM 608 CD2 TRP A 40 3.922 -3.271 -4.537 1.00 0.00 C ATOM 609 NE1 TRP A 40 3.762 -4.446 -6.438 1.00 0.00 N ATOM 610 CE2 TRP A 40 4.544 -3.536 -5.770 1.00 0.00 C ATOM 611 CE3 TRP A 40 4.527 -2.370 -3.655 1.00 0.00 C ATOM 612 CZ2 TRP A 40 5.741 -2.936 -6.141 1.00 0.00 C ATOM 613 CZ3 TRP A 40 5.713 -1.772 -4.028 1.00 0.00 C ATOM 614 CH2 TRP A 40 6.308 -2.059 -5.260 1.00 0.00 C ATOM 0 H TRP A 40 -0.491 -3.860 -4.538 1.00 0.00 H new ATOM 0 HA TRP A 40 1.187 -6.145 -3.836 1.00 0.00 H new ATOM 0 HB2 TRP A 40 1.251 -3.177 -3.240 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.292 -4.325 -2.421 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.867 -5.387 -5.972 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.966 -4.845 -7.354 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.074 -2.147 -2.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.206 -3.155 -7.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 6.189 -1.071 -3.358 1.00 0.00 H new ATOM 0 HH2 TRP A 40 7.238 -1.576 -5.522 1.00 0.00 H new ATOM 625 N SER A 41 0.558 -6.337 -1.392 1.00 0.00 N ATOM 626 CA SER A 41 -0.011 -6.693 -0.124 1.00 0.00 C ATOM 627 C SER A 41 0.832 -6.060 0.984 1.00 0.00 C ATOM 628 O SER A 41 2.068 -6.292 1.082 1.00 0.00 O ATOM 629 CB SER A 41 -0.061 -8.234 0.014 1.00 0.00 C ATOM 630 OG SER A 41 -0.767 -8.655 1.175 1.00 0.00 O ATOM 0 H SER A 41 1.452 -6.787 -1.588 1.00 0.00 H new ATOM 0 HA SER A 41 -1.033 -6.321 -0.046 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.536 -8.659 -0.870 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.956 -8.625 0.049 1.00 0.00 H new ATOM 0 HG SER A 41 -0.773 -9.634 1.217 1.00 0.00 H new ATOM 636 N GLY A 42 0.200 -5.241 1.771 1.00 0.00 N ATOM 637 CA GLY A 42 0.864 -4.571 2.837 1.00 0.00 C ATOM 638 C GLY A 42 -0.126 -4.096 3.842 1.00 0.00 C ATOM 639 O GLY A 42 -1.337 -4.275 3.654 1.00 0.00 O ATOM 0 H GLY A 42 -0.793 -5.022 1.688 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.579 -5.244 3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.432 -3.726 2.447 1.00 0.00 H new ATOM 643 N THR A 43 0.338 -3.505 4.887 1.00 0.00 N ATOM 644 CA THR A 43 -0.536 -3.036 5.899 1.00 0.00 C ATOM 645 C THR A 43 -0.127 -1.630 6.303 1.00 0.00 C ATOM 646 O THR A 43 0.967 -1.163 5.942 1.00 0.00 O ATOM 647 CB THR A 43 -0.576 -4.001 7.125 1.00 0.00 C ATOM 648 OG1 THR A 43 -1.608 -3.606 8.037 1.00 0.00 O ATOM 649 CG2 THR A 43 0.746 -4.034 7.852 1.00 0.00 C ATOM 0 H THR A 43 1.328 -3.335 5.062 1.00 0.00 H new ATOM 0 HA THR A 43 -1.550 -3.008 5.501 1.00 0.00 H new ATOM 0 HB THR A 43 -0.784 -5.001 6.744 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.409 -3.350 7.534 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.678 -4.717 8.699 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.527 -4.375 7.172 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.989 -3.034 8.211 1.00 0.00 H new ATOM 657 N LEU A 44 -0.984 -0.961 7.018 1.00 0.00 N ATOM 658 CA LEU A 44 -0.722 0.390 7.415 1.00 0.00 C ATOM 659 C LEU A 44 -1.062 0.564 8.874 1.00 0.00 C ATOM 660 O LEU A 44 -0.203 0.893 9.700 1.00 0.00 O ATOM 661 CB LEU A 44 -1.543 1.346 6.547 1.00 0.00 C ATOM 662 CG LEU A 44 -1.380 2.836 6.830 1.00 0.00 C ATOM 663 CD1 LEU A 44 0.064 3.271 6.648 1.00 0.00 C ATOM 664 CD2 LEU A 44 -2.298 3.635 5.933 1.00 0.00 C ATOM 0 H LEU A 44 -1.877 -1.334 7.340 1.00 0.00 H new ATOM 0 HA LEU A 44 0.335 0.617 7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.283 1.167 5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.596 1.091 6.662 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.653 3.023 7.868 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.152 4.337 6.856 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.701 2.714 7.335 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.377 3.074 5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.176 4.698 6.141 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.049 3.439 4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.332 3.345 6.120 1.00 0.00 H new ATOM 676 N ASN A 45 -2.308 0.333 9.194 1.00 0.00 N ATOM 677 CA ASN A 45 -2.768 0.453 10.544 1.00 0.00 C ATOM 678 C ASN A 45 -3.176 -0.911 11.032 1.00 0.00 C ATOM 679 O ASN A 45 -2.493 -1.512 11.860 1.00 0.00 O ATOM 680 CB ASN A 45 -3.955 1.430 10.664 1.00 0.00 C ATOM 681 CG ASN A 45 -3.701 2.794 10.043 1.00 0.00 C ATOM 682 OD1 ASN A 45 -4.011 3.017 8.879 1.00 0.00 O ATOM 683 ND2 ASN A 45 -3.129 3.699 10.789 1.00 0.00 N ATOM 0 H ASN A 45 -3.027 0.057 8.525 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.958 0.854 11.153 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.829 0.983 10.189 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.198 1.562 11.718 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.928 4.623 10.406 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.883 3.483 11.755 1.00 0.00 H new ATOM 690 N ASN A 46 -4.263 -1.421 10.491 1.00 0.00 N ATOM 691 CA ASN A 46 -4.775 -2.732 10.893 1.00 0.00 C ATOM 692 C ASN A 46 -5.012 -3.628 9.714 1.00 0.00 C ATOM 693 O ASN A 46 -4.877 -4.832 9.822 1.00 0.00 O ATOM 694 CB ASN A 46 -6.079 -2.625 11.709 1.00 0.00 C ATOM 695 CG ASN A 46 -5.877 -2.108 13.115 1.00 0.00 C ATOM 696 OD1 ASN A 46 -4.840 -2.341 13.739 1.00 0.00 O ATOM 697 ND2 ASN A 46 -6.849 -1.410 13.628 1.00 0.00 N ATOM 0 H ASN A 46 -4.815 -0.954 9.771 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.000 -3.168 11.523 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.771 -1.966 11.185 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.549 -3.608 11.757 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.765 -1.038 14.574 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.694 -1.236 13.084 1.00 0.00 H new ATOM 704 N LYS A 47 -5.323 -3.050 8.576 1.00 0.00 N ATOM 705 CA LYS A 47 -5.683 -3.827 7.433 1.00 0.00 C ATOM 706 C LYS A 47 -4.461 -4.255 6.662 1.00 0.00 C ATOM 707 O LYS A 47 -3.649 -3.423 6.264 1.00 0.00 O ATOM 708 CB LYS A 47 -6.629 -3.037 6.516 1.00 0.00 C ATOM 709 CG LYS A 47 -7.013 -3.770 5.226 1.00 0.00 C ATOM 710 CD LYS A 47 -7.862 -5.023 5.471 1.00 0.00 C ATOM 711 CE LYS A 47 -9.207 -4.684 6.089 1.00 0.00 C ATOM 712 NZ LYS A 47 -10.104 -5.867 6.147 1.00 0.00 N ATOM 0 H LYS A 47 -5.331 -2.041 8.427 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.198 -4.719 7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.538 -2.799 7.069 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.157 -2.090 6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.563 -3.087 4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.105 -4.053 4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.018 -5.546 4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.322 -5.705 6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.056 -4.293 7.095 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.684 -3.894 5.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.045 -5.574 6.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.188 -6.286 5.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.709 -6.571 6.803 1.00 0.00 H new ATOM 726 N LEU A 48 -4.309 -5.531 6.513 1.00 0.00 N ATOM 727 CA LEU A 48 -3.306 -6.092 5.654 1.00 0.00 C ATOM 728 C LEU A 48 -4.042 -6.426 4.396 1.00 0.00 C ATOM 729 O LEU A 48 -4.870 -7.342 4.395 1.00 0.00 O ATOM 730 CB LEU A 48 -2.697 -7.373 6.254 1.00 0.00 C ATOM 731 CG LEU A 48 -1.614 -8.067 5.402 1.00 0.00 C ATOM 732 CD1 LEU A 48 -0.345 -7.243 5.337 1.00 0.00 C ATOM 733 CD2 LEU A 48 -1.323 -9.465 5.909 1.00 0.00 C ATOM 0 H LEU A 48 -4.884 -6.226 6.989 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.477 -5.401 5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.266 -7.127 7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.502 -8.085 6.434 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.008 -8.153 4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.395 -7.763 4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.564 -6.272 4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.048 -7.100 6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.556 -9.925 5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.971 -9.412 6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.233 -10.064 5.866 1.00 0.00 H new ATOM 745 N GLY A 49 -3.827 -5.675 3.371 1.00 0.00 N ATOM 746 CA GLY A 49 -4.599 -5.873 2.196 1.00 0.00 C ATOM 747 C GLY A 49 -3.884 -5.456 0.966 1.00 0.00 C ATOM 748 O GLY A 49 -2.681 -5.153 0.999 1.00 0.00 O ATOM 0 H GLY A 49 -3.133 -4.929 3.323 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.868 -6.926 2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.530 -5.312 2.279 1.00 0.00 H new ATOM 752 N LEU A 50 -4.618 -5.416 -0.107 1.00 0.00 N ATOM 753 CA LEU A 50 -4.090 -5.102 -1.392 1.00 0.00 C ATOM 754 C LEU A 50 -4.302 -3.649 -1.717 1.00 0.00 C ATOM 755 O LEU A 50 -5.307 -3.049 -1.312 1.00 0.00 O ATOM 756 CB LEU A 50 -4.754 -5.970 -2.454 1.00 0.00 C ATOM 757 CG LEU A 50 -4.652 -7.475 -2.241 1.00 0.00 C ATOM 758 CD1 LEU A 50 -5.303 -8.223 -3.388 1.00 0.00 C ATOM 759 CD2 LEU A 50 -3.204 -7.894 -2.065 1.00 0.00 C ATOM 0 H LEU A 50 -5.620 -5.605 -0.108 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.018 -5.301 -1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.809 -5.701 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.313 -5.729 -3.421 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.188 -7.731 -1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.219 -9.296 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.355 -7.947 -3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.803 -7.965 -4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.153 -8.972 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.637 -7.625 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.781 -7.386 -1.198 1.00 0.00 H new ATOM 771 N PHE A 51 -3.366 -3.095 -2.427 1.00 0.00 N ATOM 772 CA PHE A 51 -3.418 -1.730 -2.859 1.00 0.00 C ATOM 773 C PHE A 51 -2.731 -1.592 -4.211 1.00 0.00 C ATOM 774 O PHE A 51 -1.805 -2.359 -4.510 1.00 0.00 O ATOM 775 CB PHE A 51 -2.782 -0.793 -1.816 1.00 0.00 C ATOM 776 CG PHE A 51 -1.349 -1.104 -1.437 1.00 0.00 C ATOM 777 CD1 PHE A 51 -1.068 -2.024 -0.441 1.00 0.00 C ATOM 778 CD2 PHE A 51 -0.292 -0.470 -2.070 1.00 0.00 C ATOM 779 CE1 PHE A 51 0.232 -2.307 -0.086 1.00 0.00 C ATOM 780 CE2 PHE A 51 1.011 -0.750 -1.715 1.00 0.00 C ATOM 781 CZ PHE A 51 1.272 -1.670 -0.722 1.00 0.00 C ATOM 0 H PHE A 51 -2.527 -3.590 -2.729 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.462 -1.436 -2.965 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.824 0.227 -2.198 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.391 -0.820 -0.912 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.880 -2.526 0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.490 0.251 -2.849 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.435 -3.029 0.691 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.827 -0.249 -2.215 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.292 -1.890 -0.444 1.00 0.00 H new ATOM 791 N PRO A 52 -3.204 -0.666 -5.066 1.00 0.00 N ATOM 792 CA PRO A 52 -2.605 -0.433 -6.371 1.00 0.00 C ATOM 793 C PRO A 52 -1.274 0.334 -6.258 1.00 0.00 C ATOM 794 O PRO A 52 -1.214 1.455 -5.719 1.00 0.00 O ATOM 795 CB PRO A 52 -3.660 0.390 -7.110 1.00 0.00 C ATOM 796 CG PRO A 52 -4.424 1.086 -6.042 1.00 0.00 C ATOM 797 CD PRO A 52 -4.368 0.209 -4.824 1.00 0.00 C ATOM 0 HA PRO A 52 -2.353 -1.360 -6.886 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.197 1.103 -7.793 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.310 -0.248 -7.708 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.992 2.065 -5.833 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.456 1.252 -6.351 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.243 0.797 -3.915 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.284 -0.369 -4.706 1.00 0.00 H new ATOM 805 N SER A 53 -0.237 -0.254 -6.787 1.00 0.00 N ATOM 806 CA SER A 53 1.100 0.262 -6.683 1.00 0.00 C ATOM 807 C SER A 53 1.343 1.531 -7.531 1.00 0.00 C ATOM 808 O SER A 53 2.378 2.195 -7.366 1.00 0.00 O ATOM 809 CB SER A 53 2.126 -0.834 -7.016 1.00 0.00 C ATOM 810 OG SER A 53 3.457 -0.366 -6.832 1.00 0.00 O ATOM 0 H SER A 53 -0.299 -1.125 -7.314 1.00 0.00 H new ATOM 0 HA SER A 53 1.231 0.572 -5.646 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.952 -1.703 -6.382 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.992 -1.160 -8.047 1.00 0.00 H new ATOM 0 HG SER A 53 3.469 0.613 -6.877 1.00 0.00 H new ATOM 816 N ASN A 54 0.418 1.889 -8.418 1.00 0.00 N ATOM 817 CA ASN A 54 0.598 3.111 -9.219 1.00 0.00 C ATOM 818 C ASN A 54 0.583 4.367 -8.367 1.00 0.00 C ATOM 819 O ASN A 54 1.122 5.396 -8.762 1.00 0.00 O ATOM 820 CB ASN A 54 -0.411 3.263 -10.375 1.00 0.00 C ATOM 821 CG ASN A 54 -0.141 2.359 -11.566 1.00 0.00 C ATOM 822 OD1 ASN A 54 0.681 2.682 -12.430 1.00 0.00 O ATOM 823 ND2 ASN A 54 -0.862 1.290 -11.676 1.00 0.00 N ATOM 0 H ASN A 54 -0.442 1.372 -8.602 1.00 0.00 H new ATOM 0 HA ASN A 54 1.585 2.990 -9.665 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.412 3.056 -9.997 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.405 4.299 -10.712 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.760 0.688 -12.493 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.532 1.050 -10.946 1.00 0.00 H new ATOM 830 N PHE A 55 0.001 4.285 -7.192 1.00 0.00 N ATOM 831 CA PHE A 55 -0.077 5.443 -6.329 1.00 0.00 C ATOM 832 C PHE A 55 0.998 5.417 -5.247 1.00 0.00 C ATOM 833 O PHE A 55 0.959 6.230 -4.331 1.00 0.00 O ATOM 834 CB PHE A 55 -1.456 5.564 -5.671 1.00 0.00 C ATOM 835 CG PHE A 55 -2.609 5.701 -6.627 1.00 0.00 C ATOM 836 CD1 PHE A 55 -2.653 6.736 -7.542 1.00 0.00 C ATOM 837 CD2 PHE A 55 -3.659 4.805 -6.586 1.00 0.00 C ATOM 838 CE1 PHE A 55 -3.723 6.872 -8.401 1.00 0.00 C ATOM 839 CE2 PHE A 55 -4.730 4.933 -7.445 1.00 0.00 C ATOM 840 CZ PHE A 55 -4.761 5.969 -8.353 1.00 0.00 C ATOM 0 H PHE A 55 -0.422 3.437 -6.814 1.00 0.00 H new ATOM 0 HA PHE A 55 0.089 6.312 -6.966 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -1.623 4.685 -5.048 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -1.450 6.428 -5.007 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.840 7.446 -7.585 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.641 3.994 -5.873 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.747 7.686 -9.111 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.543 4.223 -7.406 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.599 6.072 -9.026 1.00 0.00 H new ATOM 850 N VAL A 56 1.964 4.510 -5.342 1.00 0.00 N ATOM 851 CA VAL A 56 2.999 4.426 -4.313 1.00 0.00 C ATOM 852 C VAL A 56 4.396 4.327 -4.923 1.00 0.00 C ATOM 853 O VAL A 56 4.556 3.918 -6.083 1.00 0.00 O ATOM 854 CB VAL A 56 2.797 3.223 -3.323 1.00 0.00 C ATOM 855 CG1 VAL A 56 1.441 3.263 -2.630 1.00 0.00 C ATOM 856 CG2 VAL A 56 3.018 1.888 -4.011 1.00 0.00 C ATOM 0 H VAL A 56 2.054 3.836 -6.102 1.00 0.00 H new ATOM 0 HA VAL A 56 2.906 5.352 -3.746 1.00 0.00 H new ATOM 0 HB VAL A 56 3.556 3.331 -2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.351 2.410 -1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.351 4.187 -2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.649 3.220 -3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.869 1.080 -3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.309 1.780 -4.832 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.035 1.844 -4.402 1.00 0.00 H new ATOM 866 N LYS A 57 5.388 4.735 -4.155 1.00 0.00 N ATOM 867 CA LYS A 57 6.793 4.590 -4.519 1.00 0.00 C ATOM 868 C LYS A 57 7.531 3.803 -3.472 1.00 0.00 C ATOM 869 O LYS A 57 7.537 4.166 -2.298 1.00 0.00 O ATOM 870 CB LYS A 57 7.507 5.928 -4.785 1.00 0.00 C ATOM 871 CG LYS A 57 7.634 6.263 -6.262 1.00 0.00 C ATOM 872 CD LYS A 57 6.297 6.470 -6.906 1.00 0.00 C ATOM 873 CE LYS A 57 6.388 6.441 -8.420 1.00 0.00 C ATOM 874 NZ LYS A 57 6.765 5.099 -8.927 1.00 0.00 N ATOM 0 H LYS A 57 5.244 5.182 -3.250 1.00 0.00 H new ATOM 0 HA LYS A 57 6.804 4.046 -5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.961 6.728 -4.285 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.502 5.895 -4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.237 7.164 -6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.162 5.458 -6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.608 5.696 -6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.884 7.426 -6.585 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.429 6.734 -8.847 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.122 7.174 -8.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.464 5.005 -9.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.797 4.982 -8.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.299 4.368 -8.353 1.00 0.00 H new ATOM 888 N GLU A 58 8.198 2.764 -3.916 1.00 0.00 N ATOM 889 CA GLU A 58 8.905 1.797 -3.055 1.00 0.00 C ATOM 890 C GLU A 58 10.301 2.296 -2.661 1.00 0.00 C ATOM 891 O GLU A 58 11.195 1.508 -2.320 1.00 0.00 O ATOM 892 CB GLU A 58 9.025 0.480 -3.808 1.00 0.00 C ATOM 893 CG GLU A 58 9.803 0.618 -5.110 1.00 0.00 C ATOM 894 CD GLU A 58 9.904 -0.659 -5.874 1.00 0.00 C ATOM 895 OE1 GLU A 58 10.818 -1.473 -5.576 1.00 0.00 O ATOM 896 OE2 GLU A 58 9.105 -0.858 -6.817 1.00 0.00 O ATOM 0 H GLU A 58 8.277 2.547 -4.910 1.00 0.00 H new ATOM 0 HA GLU A 58 8.334 1.668 -2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.517 -0.255 -3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.028 0.097 -4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.322 1.370 -5.735 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.806 0.982 -4.889 1.00 0.00 H new