USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 446 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 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 180:sc= -1.04 USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= -0.0444 (180deg=-0.37) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -1.51 K(o=-1.5,f=-5!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 0.0502 (180deg=0.00937) USER MOD Single : A 33 THR OG1 : rot -76:sc= 0.702 USER MOD Single : A 36 ASN : amide:sc= -0.966 K(o=-0.97,f=-3.9!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 180:sc= 0.00275 USER MOD Single : A 50 ASN : amide:sc= -0.117 K(o=-0.12,f=-2!) USER MOD Single : A 59 ASN : amide:sc= -0.637 K(o=-0.64,f=-2.2!) USER MOD Single : A 62 LYS NZ :NH3+ 159:sc= -0.0532 (180deg=-0.361) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 3.213 -7.439 -0.681 1.00 0.00 N ATOM 67 CA ASP A 8 4.228 -6.688 -1.410 1.00 0.00 C ATOM 68 C ASP A 8 4.719 -5.500 -0.588 1.00 0.00 C ATOM 69 O ASP A 8 3.931 -4.648 -0.178 1.00 0.00 O ATOM 70 CB ASP A 8 3.671 -6.202 -2.749 1.00 0.00 C ATOM 71 CG ASP A 8 3.857 -7.219 -3.857 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.975 -8.088 -4.019 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.885 -7.147 -4.563 1.00 0.00 O ATOM 0 HA ASP A 8 5.072 -7.352 -1.597 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.610 -5.980 -2.638 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.164 -5.271 -3.028 1.00 0.00 H new ATOM 78 N TYR A 9 6.025 -5.451 -0.351 1.00 0.00 N ATOM 79 CA TYR A 9 6.621 -4.370 0.425 1.00 0.00 C ATOM 80 C TYR A 9 7.034 -3.213 -0.480 1.00 0.00 C ATOM 81 O TYR A 9 7.548 -3.423 -1.579 1.00 0.00 O ATOM 82 CB TYR A 9 7.835 -4.881 1.203 1.00 0.00 C ATOM 83 CG TYR A 9 7.496 -5.394 2.585 1.00 0.00 C ATOM 84 CD1 TYR A 9 6.417 -6.245 2.787 1.00 0.00 C ATOM 85 CD2 TYR A 9 8.257 -5.027 3.689 1.00 0.00 C ATOM 86 CE1 TYR A 9 6.104 -6.715 4.047 1.00 0.00 C ATOM 87 CE2 TYR A 9 7.952 -5.493 4.953 1.00 0.00 C ATOM 88 CZ TYR A 9 6.874 -6.336 5.127 1.00 0.00 C ATOM 89 OH TYR A 9 6.566 -6.803 6.384 1.00 0.00 O ATOM 0 H TYR A 9 6.691 -6.147 -0.685 1.00 0.00 H new ATOM 0 HA TYR A 9 5.872 -4.008 1.129 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.310 -5.680 0.634 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.564 -4.076 1.292 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.812 -6.544 1.944 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.101 -4.366 3.556 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.261 -7.376 4.186 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.554 -5.199 5.800 1.00 0.00 H new ATOM 0 HH TYR A 9 7.206 -6.443 7.033 1.00 0.00 H new ATOM 99 N CYS A 10 6.804 -1.992 -0.009 1.00 0.00 N ATOM 100 CA CYS A 10 7.151 -0.800 -0.775 1.00 0.00 C ATOM 101 C CYS A 10 7.909 0.201 0.091 1.00 0.00 C ATOM 102 O CYS A 10 7.433 0.605 1.153 1.00 0.00 O ATOM 103 CB CYS A 10 5.890 -0.149 -1.344 1.00 0.00 C ATOM 104 SG CYS A 10 4.879 -1.256 -2.355 1.00 0.00 S ATOM 0 H CYS A 10 6.379 -1.802 0.899 1.00 0.00 H new ATOM 0 HA CYS A 10 7.797 -1.103 -1.599 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.284 0.227 -0.519 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.179 0.713 -1.946 1.00 0.00 H new ATOM 0 HG CYS A 10 3.835 -0.615 -2.789 1.00 0.00 H new ATOM 110 N LYS A 11 9.092 0.597 -0.367 1.00 0.00 N ATOM 111 CA LYS A 11 9.917 1.550 0.365 1.00 0.00 C ATOM 112 C LYS A 11 9.517 2.984 0.032 1.00 0.00 C ATOM 113 O LYS A 11 9.418 3.356 -1.137 1.00 0.00 O ATOM 114 CB LYS A 11 11.396 1.333 0.037 1.00 0.00 C ATOM 115 CG LYS A 11 12.318 2.352 0.684 1.00 0.00 C ATOM 116 CD LYS A 11 13.770 1.908 0.622 1.00 0.00 C ATOM 117 CE LYS A 11 14.629 2.673 1.617 1.00 0.00 C ATOM 118 NZ LYS A 11 14.285 2.332 3.025 1.00 0.00 N ATOM 0 H LYS A 11 9.501 0.272 -1.243 1.00 0.00 H new ATOM 0 HA LYS A 11 9.759 1.385 1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.688 0.334 0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.529 1.370 -1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.209 3.313 0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.026 2.500 1.724 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.834 0.840 0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.156 2.060 -0.386 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.680 2.450 1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.499 3.744 1.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.084 2.573 3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.444 2.870 3.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.086 1.314 3.097 1.00 0.00 H new ATOM 132 N VAL A 12 9.289 3.786 1.068 1.00 0.00 N ATOM 133 CA VAL A 12 8.903 5.179 0.885 1.00 0.00 C ATOM 134 C VAL A 12 10.122 6.061 0.641 1.00 0.00 C ATOM 135 O VAL A 12 10.934 6.278 1.542 1.00 0.00 O ATOM 136 CB VAL A 12 8.133 5.714 2.107 1.00 0.00 C ATOM 137 CG1 VAL A 12 7.787 7.183 1.921 1.00 0.00 C ATOM 138 CG2 VAL A 12 6.878 4.888 2.349 1.00 0.00 C ATOM 0 H VAL A 12 9.365 3.494 2.042 1.00 0.00 H new ATOM 0 HA VAL A 12 8.253 5.214 0.011 1.00 0.00 H new ATOM 0 HB VAL A 12 8.774 5.626 2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.243 7.542 2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.704 7.760 1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.166 7.301 1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.346 5.280 3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.232 4.942 1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.155 3.850 2.532 1.00 0.00 H new ATOM 148 N ILE A 13 10.246 6.566 -0.582 1.00 0.00 N ATOM 149 CA ILE A 13 11.366 7.425 -0.943 1.00 0.00 C ATOM 150 C ILE A 13 10.966 8.896 -0.903 1.00 0.00 C ATOM 151 O ILE A 13 11.786 9.766 -0.606 1.00 0.00 O ATOM 152 CB ILE A 13 11.903 7.089 -2.347 1.00 0.00 C ATOM 153 CG1 ILE A 13 10.759 7.066 -3.362 1.00 0.00 C ATOM 154 CG2 ILE A 13 12.631 5.753 -2.329 1.00 0.00 C ATOM 155 CD1 ILE A 13 10.075 5.721 -3.470 1.00 0.00 C ATOM 0 H ILE A 13 9.584 6.395 -1.339 1.00 0.00 H new ATOM 0 HA ILE A 13 12.152 7.244 -0.209 1.00 0.00 H new ATOM 0 HB ILE A 13 12.611 7.862 -2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.021 7.818 -3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.147 7.347 -4.341 1.00 0.00 H new ATOM 0 HG21 ILE A 13 13.005 5.529 -3.328 1.00 0.00 H new ATOM 0 HG22 ILE A 13 13.467 5.804 -1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 13 11.943 4.968 -2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.275 5.778 -4.208 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.800 4.968 -3.779 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.657 5.447 -2.501 1.00 0.00 H new ATOM 167 N PHE A 14 9.700 9.168 -1.201 1.00 0.00 N ATOM 168 CA PHE A 14 9.190 10.534 -1.199 1.00 0.00 C ATOM 169 C PHE A 14 8.242 10.758 -0.024 1.00 0.00 C ATOM 170 O PHE A 14 7.295 10.003 0.195 1.00 0.00 O ATOM 171 CB PHE A 14 8.470 10.835 -2.515 1.00 0.00 C ATOM 172 CG PHE A 14 9.402 11.144 -3.651 1.00 0.00 C ATOM 173 CD1 PHE A 14 10.131 12.323 -3.665 1.00 0.00 C ATOM 174 CD2 PHE A 14 9.549 10.257 -4.705 1.00 0.00 C ATOM 175 CE1 PHE A 14 10.990 12.611 -4.709 1.00 0.00 C ATOM 176 CE2 PHE A 14 10.407 10.540 -5.752 1.00 0.00 C ATOM 177 CZ PHE A 14 11.127 11.718 -5.754 1.00 0.00 C ATOM 0 H PHE A 14 9.008 8.460 -1.447 1.00 0.00 H new ATOM 0 HA PHE A 14 10.037 11.212 -1.094 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.852 9.979 -2.786 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.798 11.680 -2.367 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.027 13.025 -2.851 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.987 9.334 -4.709 1.00 0.00 H new ATOM 0 HE1 PHE A 14 11.553 13.533 -4.708 1.00 0.00 H new ATOM 0 HE2 PHE A 14 10.514 9.840 -6.567 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.797 11.941 -6.572 1.00 0.00 H new ATOM 187 N PRO A 15 8.502 11.822 0.750 1.00 0.00 N ATOM 188 CA PRO A 15 7.684 12.171 1.916 1.00 0.00 C ATOM 189 C PRO A 15 6.299 12.673 1.522 1.00 0.00 C ATOM 190 O PRO A 15 6.152 13.432 0.564 1.00 0.00 O ATOM 191 CB PRO A 15 8.485 13.287 2.590 1.00 0.00 C ATOM 192 CG PRO A 15 9.291 13.891 1.492 1.00 0.00 C ATOM 193 CD PRO A 15 9.614 12.766 0.548 1.00 0.00 C ATOM 0 HA PRO A 15 7.502 11.310 2.559 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.827 14.024 3.050 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.124 12.894 3.380 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.732 14.678 0.985 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.201 14.347 1.881 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.666 13.110 -0.485 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.576 12.310 0.781 1.00 0.00 H new ATOM 201 N TYR A 16 5.286 12.245 2.267 1.00 0.00 N ATOM 202 CA TYR A 16 3.912 12.650 1.994 1.00 0.00 C ATOM 203 C TYR A 16 3.122 12.804 3.290 1.00 0.00 C ATOM 204 O TYR A 16 3.098 11.902 4.126 1.00 0.00 O ATOM 205 CB TYR A 16 3.227 11.627 1.086 1.00 0.00 C ATOM 206 CG TYR A 16 1.824 12.019 0.683 1.00 0.00 C ATOM 207 CD1 TYR A 16 1.601 13.067 -0.202 1.00 0.00 C ATOM 208 CD2 TYR A 16 0.720 11.342 1.187 1.00 0.00 C ATOM 209 CE1 TYR A 16 0.321 13.429 -0.573 1.00 0.00 C ATOM 210 CE2 TYR A 16 -0.564 11.696 0.820 1.00 0.00 C ATOM 211 CZ TYR A 16 -0.759 12.741 -0.059 1.00 0.00 C ATOM 212 OH TYR A 16 -2.036 13.097 -0.426 1.00 0.00 O ATOM 0 H TYR A 16 5.390 11.618 3.065 1.00 0.00 H new ATOM 0 HA TYR A 16 3.939 13.615 1.488 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.829 11.490 0.188 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.194 10.665 1.597 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.444 13.608 -0.607 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.868 10.525 1.878 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.166 14.246 -1.262 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.411 11.157 1.219 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.681 12.512 0.024 1.00 0.00 H new ATOM 222 N GLU A 17 2.475 13.955 3.448 1.00 0.00 N ATOM 223 CA GLU A 17 1.684 14.228 4.642 1.00 0.00 C ATOM 224 C GLU A 17 0.196 14.039 4.364 1.00 0.00 C ATOM 225 O GLU A 17 -0.426 14.849 3.677 1.00 0.00 O ATOM 226 CB GLU A 17 1.944 15.652 5.139 1.00 0.00 C ATOM 227 CG GLU A 17 1.755 15.819 6.637 1.00 0.00 C ATOM 228 CD GLU A 17 1.574 17.268 7.045 1.00 0.00 C ATOM 229 OE1 GLU A 17 0.897 18.012 6.304 1.00 0.00 O ATOM 230 OE2 GLU A 17 2.110 17.658 8.103 1.00 0.00 O ATOM 0 H GLU A 17 2.483 14.712 2.765 1.00 0.00 H new ATOM 0 HA GLU A 17 1.984 13.520 5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.962 15.939 4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.275 16.337 4.618 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.885 15.245 6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.619 15.404 7.157 1.00 0.00 H new ATOM 237 N ALA A 18 -0.369 12.963 4.902 1.00 0.00 N ATOM 238 CA ALA A 18 -1.783 12.667 4.713 1.00 0.00 C ATOM 239 C ALA A 18 -2.649 13.867 5.082 1.00 0.00 C ATOM 240 O ALA A 18 -2.786 14.207 6.256 1.00 0.00 O ATOM 241 CB ALA A 18 -2.183 11.453 5.538 1.00 0.00 C ATOM 0 H ALA A 18 0.132 12.282 5.473 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.944 12.445 3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.242 11.243 5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.594 10.591 5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.000 11.654 6.594 1.00 0.00 H new ATOM 247 N GLN A 19 -3.230 14.505 4.070 1.00 0.00 N ATOM 248 CA GLN A 19 -4.081 15.668 4.289 1.00 0.00 C ATOM 249 C GLN A 19 -5.370 15.273 5.003 1.00 0.00 C ATOM 250 O GLN A 19 -5.834 15.975 5.900 1.00 0.00 O ATOM 251 CB GLN A 19 -4.408 16.345 2.957 1.00 0.00 C ATOM 252 CG GLN A 19 -5.461 17.435 3.071 1.00 0.00 C ATOM 253 CD GLN A 19 -5.514 18.327 1.846 1.00 0.00 C ATOM 254 OE1 GLN A 19 -5.614 17.845 0.717 1.00 0.00 O ATOM 255 NE2 GLN A 19 -5.447 19.635 2.063 1.00 0.00 N ATOM 0 H GLN A 19 -3.127 14.236 3.092 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.538 16.370 4.921 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.496 16.775 2.544 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.753 15.590 2.250 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.438 16.976 3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.254 18.044 3.951 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.365 19.990 3.016 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.478 20.285 1.277 1.00 0.00 H new ATOM 264 N ASN A 20 -5.943 14.145 4.597 1.00 0.00 N ATOM 265 CA ASN A 20 -7.180 13.657 5.197 1.00 0.00 C ATOM 266 C ASN A 20 -6.940 12.355 5.954 1.00 0.00 C ATOM 267 O ASN A 20 -6.012 11.607 5.645 1.00 0.00 O ATOM 268 CB ASN A 20 -8.245 13.444 4.119 1.00 0.00 C ATOM 269 CG ASN A 20 -7.654 12.956 2.810 1.00 0.00 C ATOM 270 OD1 ASN A 20 -7.651 11.759 2.525 1.00 0.00 O ATOM 271 ND2 ASN A 20 -7.148 13.885 2.007 1.00 0.00 N ATOM 0 H ASN A 20 -5.571 13.552 3.855 1.00 0.00 H new ATOM 0 HA ASN A 20 -7.533 14.408 5.904 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.979 12.721 4.475 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -8.777 14.380 3.948 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.736 13.617 1.113 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.172 14.866 2.284 1.00 0.00 H new ATOM 278 N ASP A 21 -7.782 12.090 6.947 1.00 0.00 N ATOM 279 CA ASP A 21 -7.664 10.878 7.748 1.00 0.00 C ATOM 280 C ASP A 21 -7.541 9.646 6.855 1.00 0.00 C ATOM 281 O ASP A 21 -6.766 8.734 7.143 1.00 0.00 O ATOM 282 CB ASP A 21 -8.872 10.733 8.675 1.00 0.00 C ATOM 283 CG ASP A 21 -8.885 9.404 9.405 1.00 0.00 C ATOM 284 OD1 ASP A 21 -8.186 9.285 10.433 1.00 0.00 O ATOM 285 OD2 ASP A 21 -9.596 8.485 8.949 1.00 0.00 O ATOM 0 H ASP A 21 -8.554 12.699 7.216 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.760 10.958 8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.867 11.544 9.403 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.788 10.833 8.092 1.00 0.00 H new ATOM 290 N ASP A 22 -8.311 9.628 5.773 1.00 0.00 N ATOM 291 CA ASP A 22 -8.289 8.509 4.838 1.00 0.00 C ATOM 292 C ASP A 22 -6.869 8.231 4.357 1.00 0.00 C ATOM 293 O ASP A 22 -6.417 7.086 4.355 1.00 0.00 O ATOM 294 CB ASP A 22 -9.199 8.797 3.643 1.00 0.00 C ATOM 295 CG ASP A 22 -10.458 9.541 4.040 1.00 0.00 C ATOM 296 OD1 ASP A 22 -10.373 10.762 4.289 1.00 0.00 O ATOM 297 OD2 ASP A 22 -11.530 8.903 4.102 1.00 0.00 O ATOM 0 H ASP A 22 -8.958 10.375 5.521 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.656 7.625 5.359 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.651 9.384 2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.472 7.857 3.163 1.00 0.00 H new ATOM 302 N GLU A 23 -6.170 9.286 3.948 1.00 0.00 N ATOM 303 CA GLU A 23 -4.802 9.154 3.463 1.00 0.00 C ATOM 304 C GLU A 23 -3.874 8.673 4.574 1.00 0.00 C ATOM 305 O GLU A 23 -4.162 8.850 5.759 1.00 0.00 O ATOM 306 CB GLU A 23 -4.303 10.491 2.909 1.00 0.00 C ATOM 307 CG GLU A 23 -4.901 10.852 1.560 1.00 0.00 C ATOM 308 CD GLU A 23 -4.257 10.095 0.415 1.00 0.00 C ATOM 309 OE1 GLU A 23 -3.033 9.853 0.476 1.00 0.00 O ATOM 310 OE2 GLU A 23 -4.977 9.744 -0.543 1.00 0.00 O ATOM 0 H GLU A 23 -6.529 10.241 3.943 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.797 8.413 2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.536 11.280 3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.217 10.454 2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.971 10.642 1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.788 11.923 1.392 1.00 0.00 H new ATOM 317 N LEU A 24 -2.760 8.064 4.184 1.00 0.00 N ATOM 318 CA LEU A 24 -1.788 7.556 5.147 1.00 0.00 C ATOM 319 C LEU A 24 -0.506 8.381 5.113 1.00 0.00 C ATOM 320 O LEU A 24 0.021 8.686 4.043 1.00 0.00 O ATOM 321 CB LEU A 24 -1.472 6.088 4.856 1.00 0.00 C ATOM 322 CG LEU A 24 -0.306 5.484 5.640 1.00 0.00 C ATOM 323 CD1 LEU A 24 -0.795 4.894 6.953 1.00 0.00 C ATOM 324 CD2 LEU A 24 0.404 4.426 4.808 1.00 0.00 C ATOM 0 H LEU A 24 -2.507 7.910 3.208 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.223 7.637 6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.365 5.498 5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.259 5.987 3.792 1.00 0.00 H new ATOM 0 HG LEU A 24 0.406 6.278 5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.048 4.469 7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.257 5.677 7.554 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.527 4.112 6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.231 4.007 5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.298 3.633 4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.789 4.879 3.895 1.00 0.00 H new ATOM 336 N THR A 25 -0.006 8.737 6.292 1.00 0.00 N ATOM 337 CA THR A 25 1.216 9.525 6.398 1.00 0.00 C ATOM 338 C THR A 25 2.452 8.647 6.244 1.00 0.00 C ATOM 339 O THR A 25 2.634 7.679 6.984 1.00 0.00 O ATOM 340 CB THR A 25 1.291 10.266 7.747 1.00 0.00 C ATOM 341 OG1 THR A 25 0.165 11.138 7.890 1.00 0.00 O ATOM 342 CG2 THR A 25 2.579 11.070 7.851 1.00 0.00 C ATOM 0 H THR A 25 -0.429 8.492 7.187 1.00 0.00 H new ATOM 0 HA THR A 25 1.191 10.257 5.590 1.00 0.00 H new ATOM 0 HB THR A 25 1.279 9.524 8.546 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.219 11.604 8.750 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.610 11.585 8.811 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.434 10.399 7.771 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.616 11.803 7.045 1.00 0.00 H new ATOM 350 N ILE A 26 3.299 8.990 5.279 1.00 0.00 N ATOM 351 CA ILE A 26 4.519 8.232 5.030 1.00 0.00 C ATOM 352 C ILE A 26 5.731 9.154 4.943 1.00 0.00 C ATOM 353 O ILE A 26 5.666 10.229 4.345 1.00 0.00 O ATOM 354 CB ILE A 26 4.418 7.413 3.729 1.00 0.00 C ATOM 355 CG1 ILE A 26 4.240 8.344 2.528 1.00 0.00 C ATOM 356 CG2 ILE A 26 3.266 6.424 3.815 1.00 0.00 C ATOM 357 CD1 ILE A 26 4.133 7.612 1.208 1.00 0.00 C ATOM 0 H ILE A 26 3.163 9.787 4.657 1.00 0.00 H new ATOM 0 HA ILE A 26 4.643 7.550 5.871 1.00 0.00 H new ATOM 0 HB ILE A 26 5.343 6.852 3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.343 8.946 2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.083 9.034 2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.207 5.853 2.889 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.432 5.744 4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.332 6.965 3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.008 8.334 0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.040 7.032 1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.273 6.942 1.232 1.00 0.00 H new ATOM 369 N LYS A 27 6.836 8.727 5.544 1.00 0.00 N ATOM 370 CA LYS A 27 8.065 9.512 5.533 1.00 0.00 C ATOM 371 C LYS A 27 9.178 8.770 4.799 1.00 0.00 C ATOM 372 O LYS A 27 9.139 7.548 4.668 1.00 0.00 O ATOM 373 CB LYS A 27 8.506 9.827 6.964 1.00 0.00 C ATOM 374 CG LYS A 27 7.481 10.622 7.755 1.00 0.00 C ATOM 375 CD LYS A 27 7.525 12.098 7.400 1.00 0.00 C ATOM 376 CE LYS A 27 6.167 12.758 7.588 1.00 0.00 C ATOM 377 NZ LYS A 27 5.312 12.624 6.376 1.00 0.00 N ATOM 0 H LYS A 27 6.906 7.841 6.045 1.00 0.00 H new ATOM 0 HA LYS A 27 7.866 10.445 5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.710 8.892 7.486 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.441 10.386 6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.484 10.229 7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.667 10.498 8.822 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.264 12.601 8.023 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.847 12.215 6.365 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.660 12.308 8.442 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.306 13.814 7.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.348 12.949 6.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.707 13.202 5.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.283 11.627 6.080 1.00 0.00 H new ATOM 391 N GLU A 28 10.168 9.519 4.323 1.00 0.00 N ATOM 392 CA GLU A 28 11.292 8.931 3.603 1.00 0.00 C ATOM 393 C GLU A 28 12.077 7.981 4.503 1.00 0.00 C ATOM 394 O GLU A 28 12.637 8.391 5.519 1.00 0.00 O ATOM 395 CB GLU A 28 12.216 10.028 3.071 1.00 0.00 C ATOM 396 CG GLU A 28 13.206 9.537 2.028 1.00 0.00 C ATOM 397 CD GLU A 28 14.260 8.617 2.612 1.00 0.00 C ATOM 398 OE1 GLU A 28 15.060 9.087 3.447 1.00 0.00 O ATOM 399 OE2 GLU A 28 14.285 7.427 2.234 1.00 0.00 O ATOM 0 H GLU A 28 10.215 10.533 4.423 1.00 0.00 H new ATOM 0 HA GLU A 28 10.895 8.362 2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.610 10.824 2.638 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.766 10.464 3.905 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.667 9.012 1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.694 10.394 1.564 1.00 0.00 H new ATOM 406 N GLY A 29 12.114 6.708 4.121 1.00 0.00 N ATOM 407 CA GLY A 29 12.832 5.719 4.904 1.00 0.00 C ATOM 408 C GLY A 29 11.903 4.822 5.698 1.00 0.00 C ATOM 409 O GLY A 29 12.197 4.470 6.841 1.00 0.00 O ATOM 0 H GLY A 29 11.660 6.344 3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.442 5.107 4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.514 6.226 5.587 1.00 0.00 H new ATOM 413 N ASP A 30 10.779 4.453 5.094 1.00 0.00 N ATOM 414 CA ASP A 30 9.804 3.593 5.752 1.00 0.00 C ATOM 415 C ASP A 30 9.092 2.703 4.738 1.00 0.00 C ATOM 416 O ASP A 30 8.621 3.177 3.704 1.00 0.00 O ATOM 417 CB ASP A 30 8.781 4.436 6.516 1.00 0.00 C ATOM 418 CG ASP A 30 9.436 5.425 7.460 1.00 0.00 C ATOM 419 OD1 ASP A 30 9.772 5.030 8.596 1.00 0.00 O ATOM 420 OD2 ASP A 30 9.614 6.596 7.062 1.00 0.00 O ATOM 0 H ASP A 30 10.521 4.737 4.149 1.00 0.00 H new ATOM 0 HA ASP A 30 10.337 2.955 6.457 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.156 4.976 5.805 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.123 3.778 7.083 1.00 0.00 H new ATOM 425 N ILE A 31 9.018 1.411 5.041 1.00 0.00 N ATOM 426 CA ILE A 31 8.363 0.456 4.156 1.00 0.00 C ATOM 427 C ILE A 31 6.915 0.222 4.573 1.00 0.00 C ATOM 428 O ILE A 31 6.615 0.078 5.758 1.00 0.00 O ATOM 429 CB ILE A 31 9.105 -0.894 4.138 1.00 0.00 C ATOM 430 CG1 ILE A 31 10.527 -0.713 3.606 1.00 0.00 C ATOM 431 CG2 ILE A 31 8.343 -1.906 3.295 1.00 0.00 C ATOM 432 CD1 ILE A 31 11.493 -0.170 4.636 1.00 0.00 C ATOM 0 H ILE A 31 9.403 1.002 5.892 1.00 0.00 H new ATOM 0 HA ILE A 31 8.384 0.887 3.155 1.00 0.00 H new ATOM 0 HB ILE A 31 9.165 -1.272 5.159 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.896 -1.673 3.244 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.503 -0.038 2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.880 -2.855 3.292 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.348 -2.053 3.715 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.255 -1.536 2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.482 -0.067 4.189 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.148 0.805 4.980 1.00 0.00 H new ATOM 0 HD13 ILE A 31 11.547 -0.856 5.482 1.00 0.00 H new ATOM 444 N VAL A 32 6.021 0.185 3.590 1.00 0.00 N ATOM 445 CA VAL A 32 4.604 -0.034 3.854 1.00 0.00 C ATOM 446 C VAL A 32 4.107 -1.302 3.170 1.00 0.00 C ATOM 447 O VAL A 32 4.232 -1.456 1.954 1.00 0.00 O ATOM 448 CB VAL A 32 3.753 1.159 3.379 1.00 0.00 C ATOM 449 CG1 VAL A 32 2.285 0.932 3.705 1.00 0.00 C ATOM 450 CG2 VAL A 32 4.253 2.452 4.006 1.00 0.00 C ATOM 0 H VAL A 32 6.253 0.304 2.604 1.00 0.00 H new ATOM 0 HA VAL A 32 4.497 -0.141 4.933 1.00 0.00 H new ATOM 0 HB VAL A 32 3.851 1.245 2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.700 1.785 3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.937 0.028 3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.165 0.819 4.782 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.641 3.285 3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.187 2.379 5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.290 2.619 3.716 1.00 0.00 H new ATOM 460 N THR A 33 3.541 -2.211 3.958 1.00 0.00 N ATOM 461 CA THR A 33 3.025 -3.467 3.429 1.00 0.00 C ATOM 462 C THR A 33 1.787 -3.235 2.571 1.00 0.00 C ATOM 463 O THR A 33 0.777 -2.714 3.047 1.00 0.00 O ATOM 464 CB THR A 33 2.674 -4.451 4.561 1.00 0.00 C ATOM 465 OG1 THR A 33 3.838 -4.728 5.348 1.00 0.00 O ATOM 466 CG2 THR A 33 2.118 -5.749 3.996 1.00 0.00 C ATOM 0 H THR A 33 3.428 -2.100 4.966 1.00 0.00 H new ATOM 0 HA THR A 33 3.814 -3.899 2.814 1.00 0.00 H new ATOM 0 HB THR A 33 1.912 -3.990 5.190 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.425 -5.342 4.859 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.877 -6.428 4.814 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.216 -5.539 3.421 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.862 -6.211 3.347 1.00 0.00 H new ATOM 474 N LEU A 34 1.869 -3.625 1.304 1.00 0.00 N ATOM 475 CA LEU A 34 0.754 -3.460 0.378 1.00 0.00 C ATOM 476 C LEU A 34 -0.408 -4.372 0.758 1.00 0.00 C ATOM 477 O LEU A 34 -0.353 -5.585 0.549 1.00 0.00 O ATOM 478 CB LEU A 34 1.205 -3.759 -1.053 1.00 0.00 C ATOM 479 CG LEU A 34 0.475 -2.997 -2.159 1.00 0.00 C ATOM 480 CD1 LEU A 34 0.762 -1.506 -2.059 1.00 0.00 C ATOM 481 CD2 LEU A 34 0.877 -3.528 -3.527 1.00 0.00 C ATOM 0 H LEU A 34 2.697 -4.058 0.894 1.00 0.00 H new ATOM 0 HA LEU A 34 0.415 -2.426 0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.270 -3.540 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.085 -4.827 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.597 -3.150 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.234 -0.980 -2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.424 -1.135 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.834 -1.334 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.348 -2.974 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.952 -3.406 -3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.620 -4.585 -3.597 1.00 0.00 H new ATOM 493 N ILE A 35 -1.460 -3.781 1.315 1.00 0.00 N ATOM 494 CA ILE A 35 -2.636 -4.540 1.721 1.00 0.00 C ATOM 495 C ILE A 35 -3.482 -4.930 0.513 1.00 0.00 C ATOM 496 O ILE A 35 -3.680 -6.112 0.237 1.00 0.00 O ATOM 497 CB ILE A 35 -3.508 -3.742 2.708 1.00 0.00 C ATOM 498 CG1 ILE A 35 -2.718 -3.426 3.980 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.773 -4.518 3.044 1.00 0.00 C ATOM 500 CD1 ILE A 35 -2.241 -4.658 4.717 1.00 0.00 C ATOM 0 H ILE A 35 -1.522 -2.779 1.495 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.275 -5.442 2.215 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.795 -2.802 2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.856 -2.812 3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.342 -2.832 4.648 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.379 -3.941 3.743 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.343 -4.698 2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.505 -5.472 3.498 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.689 -4.358 5.608 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.100 -5.263 5.009 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.590 -5.242 4.066 1.00 0.00 H new ATOM 512 N ASN A 36 -3.978 -3.926 -0.204 1.00 0.00 N ATOM 513 CA ASN A 36 -4.802 -4.164 -1.383 1.00 0.00 C ATOM 514 C ASN A 36 -4.409 -3.224 -2.519 1.00 0.00 C ATOM 515 O ASN A 36 -4.083 -2.059 -2.292 1.00 0.00 O ATOM 516 CB ASN A 36 -6.282 -3.979 -1.042 1.00 0.00 C ATOM 517 CG ASN A 36 -7.196 -4.514 -2.128 1.00 0.00 C ATOM 518 OD1 ASN A 36 -7.076 -4.141 -3.295 1.00 0.00 O ATOM 519 ND2 ASN A 36 -8.116 -5.392 -1.747 1.00 0.00 N ATOM 0 H ASN A 36 -3.823 -2.941 0.011 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.637 -5.191 -1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.502 -4.487 -0.103 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.487 -2.920 -0.887 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.760 -5.786 -2.433 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.179 -5.672 -0.768 1.00 0.00 H new ATOM 526 N LYS A 37 -4.443 -3.738 -3.744 1.00 0.00 N ATOM 527 CA LYS A 37 -4.093 -2.946 -4.917 1.00 0.00 C ATOM 528 C LYS A 37 -5.168 -1.904 -5.210 1.00 0.00 C ATOM 529 O LYS A 37 -6.279 -1.979 -4.685 1.00 0.00 O ATOM 530 CB LYS A 37 -3.905 -3.855 -6.134 1.00 0.00 C ATOM 531 CG LYS A 37 -2.679 -4.747 -6.042 1.00 0.00 C ATOM 532 CD LYS A 37 -2.189 -5.164 -7.419 1.00 0.00 C ATOM 533 CE LYS A 37 -0.746 -5.645 -7.375 1.00 0.00 C ATOM 534 NZ LYS A 37 -0.654 -7.095 -7.052 1.00 0.00 N ATOM 0 H LYS A 37 -4.710 -4.701 -3.950 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.156 -2.429 -4.709 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.791 -4.480 -6.251 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.829 -3.238 -7.030 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.883 -4.220 -5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.916 -5.634 -5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.827 -5.958 -7.808 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.272 -4.322 -8.106 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.271 -5.457 -8.338 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.195 -5.071 -6.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.345 -7.383 -7.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.084 -7.271 -6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.158 -7.645 -7.777 1.00 0.00 H new ATOM 548 N ASP A 38 -4.829 -0.933 -6.051 1.00 0.00 N ATOM 549 CA ASP A 38 -5.766 0.123 -6.416 1.00 0.00 C ATOM 550 C ASP A 38 -6.454 -0.194 -7.740 1.00 0.00 C ATOM 551 O ASP A 38 -5.977 -1.022 -8.516 1.00 0.00 O ATOM 552 CB ASP A 38 -5.041 1.466 -6.513 1.00 0.00 C ATOM 553 CG ASP A 38 -5.986 2.615 -6.803 1.00 0.00 C ATOM 554 OD1 ASP A 38 -6.693 3.053 -5.871 1.00 0.00 O ATOM 555 OD2 ASP A 38 -6.019 3.077 -7.963 1.00 0.00 O ATOM 0 H ASP A 38 -3.913 -0.855 -6.493 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.527 0.184 -5.638 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.515 1.660 -5.578 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.287 1.413 -7.298 1.00 0.00 H new ATOM 560 N CYS A 39 -7.578 0.469 -7.990 1.00 0.00 N ATOM 561 CA CYS A 39 -8.333 0.257 -9.220 1.00 0.00 C ATOM 562 C CYS A 39 -7.432 0.396 -10.442 1.00 0.00 C ATOM 563 O CYS A 39 -6.335 0.950 -10.357 1.00 0.00 O ATOM 564 CB CYS A 39 -9.492 1.251 -9.309 1.00 0.00 C ATOM 565 SG CYS A 39 -10.685 1.118 -7.958 1.00 0.00 S ATOM 0 H CYS A 39 -7.986 1.157 -7.358 1.00 0.00 H new ATOM 0 HA CYS A 39 -8.734 -0.756 -9.201 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.088 2.263 -9.324 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.013 1.102 -10.255 1.00 0.00 H new ATOM 0 HG CYS A 39 -11.625 2.001 -8.121 1.00 0.00 H new ATOM 571 N ILE A 40 -7.901 -0.111 -11.578 1.00 0.00 N ATOM 572 CA ILE A 40 -7.137 -0.043 -12.817 1.00 0.00 C ATOM 573 C ILE A 40 -6.290 1.223 -12.872 1.00 0.00 C ATOM 574 O ILE A 40 -5.205 1.232 -13.454 1.00 0.00 O ATOM 575 CB ILE A 40 -8.060 -0.084 -14.050 1.00 0.00 C ATOM 576 CG1 ILE A 40 -8.855 -1.391 -14.076 1.00 0.00 C ATOM 577 CG2 ILE A 40 -7.246 0.073 -15.326 1.00 0.00 C ATOM 578 CD1 ILE A 40 -10.073 -1.339 -14.971 1.00 0.00 C ATOM 0 H ILE A 40 -8.806 -0.573 -11.665 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.483 -0.915 -12.833 1.00 0.00 H new ATOM 0 HB ILE A 40 -8.764 0.746 -13.987 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -8.202 -2.197 -14.411 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -9.170 -1.636 -13.062 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.912 0.042 -16.188 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.721 1.028 -15.307 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.522 -0.738 -15.398 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -10.588 -2.299 -14.941 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -10.746 -0.555 -14.624 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -9.764 -1.125 -15.994 1.00 0.00 H new ATOM 590 N ASP A 41 -6.791 2.291 -12.261 1.00 0.00 N ATOM 591 CA ASP A 41 -6.078 3.563 -12.237 1.00 0.00 C ATOM 592 C ASP A 41 -4.829 3.470 -11.368 1.00 0.00 C ATOM 593 O ASP A 41 -4.902 3.103 -10.195 1.00 0.00 O ATOM 594 CB ASP A 41 -6.993 4.675 -11.721 1.00 0.00 C ATOM 595 CG ASP A 41 -8.217 4.870 -12.593 1.00 0.00 C ATOM 596 OD1 ASP A 41 -8.050 5.064 -13.815 1.00 0.00 O ATOM 597 OD2 ASP A 41 -9.343 4.829 -12.054 1.00 0.00 O ATOM 0 H ASP A 41 -7.688 2.301 -11.776 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.772 3.799 -13.256 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.309 4.439 -10.705 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.433 5.609 -11.672 1.00 0.00 H new ATOM 602 N VAL A 42 -3.682 3.804 -11.951 1.00 0.00 N ATOM 603 CA VAL A 42 -2.416 3.758 -11.229 1.00 0.00 C ATOM 604 C VAL A 42 -2.144 5.076 -10.512 1.00 0.00 C ATOM 605 O VAL A 42 -2.663 6.123 -10.896 1.00 0.00 O ATOM 606 CB VAL A 42 -1.241 3.450 -12.176 1.00 0.00 C ATOM 607 CG1 VAL A 42 0.072 3.427 -11.409 1.00 0.00 C ATOM 608 CG2 VAL A 42 -1.470 2.131 -12.897 1.00 0.00 C ATOM 0 H VAL A 42 -3.604 4.109 -12.921 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.500 2.958 -10.493 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.183 4.241 -12.924 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.890 3.208 -12.095 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.239 4.399 -10.944 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.029 2.658 -10.638 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.630 1.929 -13.562 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.556 1.327 -12.166 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.389 2.190 -13.481 1.00 0.00 H new ATOM 618 N GLY A 43 -1.325 5.016 -9.466 1.00 0.00 N ATOM 619 CA GLY A 43 -0.998 6.211 -8.710 1.00 0.00 C ATOM 620 C GLY A 43 -1.481 6.141 -7.275 1.00 0.00 C ATOM 621 O GLY A 43 -1.045 6.920 -6.428 1.00 0.00 O ATOM 0 H GLY A 43 -0.882 4.161 -9.129 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.082 6.359 -8.720 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.443 7.078 -9.198 1.00 0.00 H new ATOM 625 N TRP A 44 -2.384 5.206 -7.002 1.00 0.00 N ATOM 626 CA TRP A 44 -2.928 5.039 -5.660 1.00 0.00 C ATOM 627 C TRP A 44 -2.704 3.618 -5.155 1.00 0.00 C ATOM 628 O TRP A 44 -2.647 2.672 -5.941 1.00 0.00 O ATOM 629 CB TRP A 44 -4.422 5.367 -5.648 1.00 0.00 C ATOM 630 CG TRP A 44 -4.733 6.738 -6.168 1.00 0.00 C ATOM 631 CD1 TRP A 44 -5.152 7.061 -7.427 1.00 0.00 C ATOM 632 CD2 TRP A 44 -4.647 7.970 -5.444 1.00 0.00 C ATOM 633 NE1 TRP A 44 -5.332 8.420 -7.529 1.00 0.00 N ATOM 634 CE2 TRP A 44 -5.029 9.000 -6.325 1.00 0.00 C ATOM 635 CE3 TRP A 44 -4.286 8.303 -4.135 1.00 0.00 C ATOM 636 CZ2 TRP A 44 -5.059 10.337 -5.939 1.00 0.00 C ATOM 637 CZ3 TRP A 44 -4.316 9.631 -3.754 1.00 0.00 C ATOM 638 CH2 TRP A 44 -4.701 10.635 -4.652 1.00 0.00 C ATOM 0 H TRP A 44 -2.755 4.552 -7.692 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.406 5.728 -4.996 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -4.954 4.629 -6.249 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -4.798 5.279 -4.629 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.318 6.353 -8.225 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.641 8.916 -8.365 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.989 7.536 -3.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.354 11.112 -6.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.038 9.900 -2.746 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.716 11.663 -4.323 1.00 0.00 H new ATOM 649 N TRP A 45 -2.578 3.474 -3.841 1.00 0.00 N ATOM 650 CA TRP A 45 -2.360 2.167 -3.232 1.00 0.00 C ATOM 651 C TRP A 45 -2.613 2.217 -1.729 1.00 0.00 C ATOM 652 O TRP A 45 -2.454 3.262 -1.099 1.00 0.00 O ATOM 653 CB TRP A 45 -0.934 1.686 -3.505 1.00 0.00 C ATOM 654 CG TRP A 45 -0.783 0.996 -4.828 1.00 0.00 C ATOM 655 CD1 TRP A 45 -1.770 0.396 -5.557 1.00 0.00 C ATOM 656 CD2 TRP A 45 0.427 0.835 -5.577 1.00 0.00 C ATOM 657 NE1 TRP A 45 -1.247 -0.129 -6.714 1.00 0.00 N ATOM 658 CE2 TRP A 45 0.098 0.128 -6.750 1.00 0.00 C ATOM 659 CE3 TRP A 45 1.754 1.220 -5.372 1.00 0.00 C ATOM 660 CZ2 TRP A 45 1.051 -0.201 -7.711 1.00 0.00 C ATOM 661 CZ3 TRP A 45 2.698 0.893 -6.326 1.00 0.00 C ATOM 662 CH2 TRP A 45 2.343 0.188 -7.485 1.00 0.00 C ATOM 0 H TRP A 45 -2.623 4.246 -3.176 1.00 0.00 H new ATOM 0 HA TRP A 45 -3.065 1.465 -3.677 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.257 2.540 -3.469 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.630 1.004 -2.711 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.809 0.342 -5.267 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.775 -0.629 -7.430 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.037 1.764 -4.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.779 -0.745 -8.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.727 1.185 -6.177 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.104 -0.052 -8.213 1.00 0.00 H new ATOM 673 N GLU A 46 -3.008 1.082 -1.162 1.00 0.00 N ATOM 674 CA GLU A 46 -3.284 0.999 0.268 1.00 0.00 C ATOM 675 C GLU A 46 -2.282 0.081 0.963 1.00 0.00 C ATOM 676 O GLU A 46 -1.961 -0.997 0.464 1.00 0.00 O ATOM 677 CB GLU A 46 -4.707 0.491 0.507 1.00 0.00 C ATOM 678 CG GLU A 46 -5.335 1.020 1.785 1.00 0.00 C ATOM 679 CD GLU A 46 -6.850 0.945 1.765 1.00 0.00 C ATOM 680 OE1 GLU A 46 -7.474 1.744 1.037 1.00 0.00 O ATOM 681 OE2 GLU A 46 -7.410 0.087 2.479 1.00 0.00 O ATOM 0 H GLU A 46 -3.144 0.208 -1.670 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.187 2.000 0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.332 0.775 -0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.694 -0.598 0.542 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.958 0.450 2.634 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.028 2.055 1.935 1.00 0.00 H new ATOM 688 N GLY A 47 -1.790 0.518 2.118 1.00 0.00 N ATOM 689 CA GLY A 47 -0.829 -0.275 2.863 1.00 0.00 C ATOM 690 C GLY A 47 -0.867 0.015 4.350 1.00 0.00 C ATOM 691 O GLY A 47 -1.466 0.999 4.782 1.00 0.00 O ATOM 0 H GLY A 47 -2.040 1.407 2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.030 -1.333 2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.173 -0.077 2.483 1.00 0.00 H new ATOM 695 N GLU A 48 -0.228 -0.846 5.136 1.00 0.00 N ATOM 696 CA GLU A 48 -0.194 -0.678 6.584 1.00 0.00 C ATOM 697 C GLU A 48 1.132 -0.068 7.030 1.00 0.00 C ATOM 698 O GLU A 48 2.204 -0.538 6.649 1.00 0.00 O ATOM 699 CB GLU A 48 -0.409 -2.023 7.281 1.00 0.00 C ATOM 700 CG GLU A 48 -0.980 -1.898 8.683 1.00 0.00 C ATOM 701 CD GLU A 48 -0.969 -3.213 9.437 1.00 0.00 C ATOM 702 OE1 GLU A 48 -0.049 -4.024 9.203 1.00 0.00 O ATOM 703 OE2 GLU A 48 -1.881 -3.431 10.262 1.00 0.00 O ATOM 0 H GLU A 48 0.273 -1.666 4.794 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.999 0.001 6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.081 -2.632 6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.542 -2.553 7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.405 -1.159 9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.003 -1.527 8.623 1.00 0.00 H new ATOM 710 N LEU A 49 1.050 0.983 7.839 1.00 0.00 N ATOM 711 CA LEU A 49 2.242 1.659 8.338 1.00 0.00 C ATOM 712 C LEU A 49 2.034 2.145 9.768 1.00 0.00 C ATOM 713 O LEU A 49 1.144 2.950 10.037 1.00 0.00 O ATOM 714 CB LEU A 49 2.599 2.840 7.433 1.00 0.00 C ATOM 715 CG LEU A 49 3.855 3.623 7.815 1.00 0.00 C ATOM 716 CD1 LEU A 49 5.093 2.750 7.671 1.00 0.00 C ATOM 717 CD2 LEU A 49 3.982 4.877 6.962 1.00 0.00 C ATOM 0 H LEU A 49 0.170 1.385 8.163 1.00 0.00 H new ATOM 0 HA LEU A 49 3.064 0.943 8.333 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.722 2.468 6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.755 3.530 7.420 1.00 0.00 H new ATOM 0 HG LEU A 49 3.768 3.925 8.859 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.977 3.324 7.947 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.005 1.883 8.325 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.185 2.417 6.637 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.882 5.422 7.248 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.046 4.597 5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.109 5.512 7.116 1.00 0.00 H new ATOM 729 N ASN A 50 2.864 1.652 10.682 1.00 0.00 N ATOM 730 CA ASN A 50 2.772 2.037 12.086 1.00 0.00 C ATOM 731 C ASN A 50 1.405 1.678 12.660 1.00 0.00 C ATOM 732 O ASN A 50 0.763 2.495 13.320 1.00 0.00 O ATOM 733 CB ASN A 50 3.025 3.538 12.241 1.00 0.00 C ATOM 734 CG ASN A 50 4.502 3.869 12.331 1.00 0.00 C ATOM 735 OD1 ASN A 50 5.314 3.033 12.726 1.00 0.00 O ATOM 736 ND2 ASN A 50 4.856 5.095 11.964 1.00 0.00 N ATOM 0 H ASN A 50 3.608 0.985 10.476 1.00 0.00 H new ATOM 0 HA ASN A 50 3.534 1.487 12.639 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.588 4.067 11.394 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.519 3.898 13.137 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.836 5.376 12.003 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.148 5.756 11.643 1.00 0.00 H new ATOM 743 N GLY A 51 0.965 0.450 12.404 1.00 0.00 N ATOM 744 CA GLY A 51 -0.323 0.004 12.903 1.00 0.00 C ATOM 745 C GLY A 51 -1.466 0.869 12.412 1.00 0.00 C ATOM 746 O GLY A 51 -2.406 1.148 13.156 1.00 0.00 O ATOM 0 H GLY A 51 1.477 -0.244 11.860 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.492 -1.027 12.592 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.309 0.010 13.993 1.00 0.00 H new ATOM 750 N ARG A 52 -1.385 1.297 11.156 1.00 0.00 N ATOM 751 CA ARG A 52 -2.420 2.139 10.568 1.00 0.00 C ATOM 752 C ARG A 52 -2.818 1.627 9.187 1.00 0.00 C ATOM 753 O ARG A 52 -2.063 0.898 8.543 1.00 0.00 O ATOM 754 CB ARG A 52 -1.934 3.586 10.467 1.00 0.00 C ATOM 755 CG ARG A 52 -1.631 4.222 11.814 1.00 0.00 C ATOM 756 CD ARG A 52 -1.280 5.695 11.668 1.00 0.00 C ATOM 757 NE ARG A 52 -1.128 6.352 12.963 1.00 0.00 N ATOM 758 CZ ARG A 52 -2.147 6.832 13.668 1.00 0.00 C ATOM 759 NH1 ARG A 52 -3.385 6.728 13.206 1.00 0.00 N ATOM 760 NH2 ARG A 52 -1.928 7.417 14.839 1.00 0.00 N ATOM 0 H ARG A 52 -0.614 1.075 10.527 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.295 2.102 11.216 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.036 3.617 9.850 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.692 4.180 9.956 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.495 4.116 12.470 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.803 3.695 12.289 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.354 5.793 11.101 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.059 6.198 11.095 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.188 6.448 13.348 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.558 6.278 12.307 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.165 7.097 13.750 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.977 7.498 15.198 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.711 7.785 15.379 1.00 0.00 H new ATOM 774 N ARG A 53 -4.008 2.013 8.738 1.00 0.00 N ATOM 775 CA ARG A 53 -4.506 1.592 7.434 1.00 0.00 C ATOM 776 C ARG A 53 -5.041 2.783 6.646 1.00 0.00 C ATOM 777 O ARG A 53 -6.097 3.328 6.965 1.00 0.00 O ATOM 778 CB ARG A 53 -5.605 0.541 7.600 1.00 0.00 C ATOM 779 CG ARG A 53 -5.084 -0.887 7.621 1.00 0.00 C ATOM 780 CD ARG A 53 -5.048 -1.488 6.225 1.00 0.00 C ATOM 781 NE ARG A 53 -5.345 -2.918 6.236 1.00 0.00 N ATOM 782 CZ ARG A 53 -4.582 -3.822 6.840 1.00 0.00 C ATOM 783 NH1 ARG A 53 -3.483 -3.446 7.479 1.00 0.00 N ATOM 784 NH2 ARG A 53 -4.919 -5.105 6.806 1.00 0.00 N ATOM 0 H ARG A 53 -4.645 2.616 9.258 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.676 1.155 6.879 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.145 0.735 8.527 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.322 0.645 6.786 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.083 -0.904 8.051 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.718 -1.497 8.265 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.769 -0.973 5.590 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.064 -1.326 5.786 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.184 -3.240 5.754 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.222 -2.460 7.508 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.899 -4.142 7.942 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.764 -5.397 6.316 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.333 -5.799 7.270 1.00 0.00 H new ATOM 798 N GLY A 54 -4.304 3.184 5.614 1.00 0.00 N ATOM 799 CA GLY A 54 -4.720 4.309 4.797 1.00 0.00 C ATOM 800 C GLY A 54 -4.141 4.254 3.397 1.00 0.00 C ATOM 801 O GLY A 54 -3.183 3.524 3.142 1.00 0.00 O ATOM 0 H GLY A 54 -3.426 2.749 5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.808 4.327 4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.412 5.237 5.278 1.00 0.00 H new ATOM 805 N VAL A 55 -4.725 5.026 2.486 1.00 0.00 N ATOM 806 CA VAL A 55 -4.262 5.062 1.104 1.00 0.00 C ATOM 807 C VAL A 55 -3.079 6.011 0.946 1.00 0.00 C ATOM 808 O VAL A 55 -2.849 6.880 1.787 1.00 0.00 O ATOM 809 CB VAL A 55 -5.387 5.497 0.146 1.00 0.00 C ATOM 810 CG1 VAL A 55 -6.530 4.494 0.175 1.00 0.00 C ATOM 811 CG2 VAL A 55 -5.880 6.891 0.503 1.00 0.00 C ATOM 0 H VAL A 55 -5.520 5.635 2.680 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.949 4.050 0.848 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.987 5.526 -0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.316 4.818 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.163 3.515 -0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.932 4.430 1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.675 7.183 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.264 6.891 1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.055 7.599 0.426 1.00 0.00 H new ATOM 821 N PHE A 56 -2.331 5.839 -0.139 1.00 0.00 N ATOM 822 CA PHE A 56 -1.170 6.679 -0.408 1.00 0.00 C ATOM 823 C PHE A 56 -0.831 6.677 -1.896 1.00 0.00 C ATOM 824 O PHE A 56 -1.116 5.725 -2.622 1.00 0.00 O ATOM 825 CB PHE A 56 0.035 6.197 0.402 1.00 0.00 C ATOM 826 CG PHE A 56 0.476 4.805 0.050 1.00 0.00 C ATOM 827 CD1 PHE A 56 1.098 4.547 -1.161 1.00 0.00 C ATOM 828 CD2 PHE A 56 0.268 3.755 0.929 1.00 0.00 C ATOM 829 CE1 PHE A 56 1.505 3.267 -1.489 1.00 0.00 C ATOM 830 CE2 PHE A 56 0.674 2.473 0.608 1.00 0.00 C ATOM 831 CZ PHE A 56 1.292 2.229 -0.603 1.00 0.00 C ATOM 0 H PHE A 56 -2.508 5.126 -0.846 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.414 7.699 -0.110 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.867 6.884 0.245 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.212 6.234 1.463 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.267 5.355 -1.857 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.217 3.940 1.876 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.989 3.079 -2.436 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.508 1.663 1.303 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.608 1.228 -0.857 1.00 0.00 H new ATOM 841 N PRO A 57 -0.206 7.769 -2.362 1.00 0.00 N ATOM 842 CA PRO A 57 0.186 7.918 -3.766 1.00 0.00 C ATOM 843 C PRO A 57 1.326 6.982 -4.152 1.00 0.00 C ATOM 844 O PRO A 57 2.462 7.157 -3.711 1.00 0.00 O ATOM 845 CB PRO A 57 0.639 9.378 -3.855 1.00 0.00 C ATOM 846 CG PRO A 57 1.061 9.728 -2.469 1.00 0.00 C ATOM 847 CD PRO A 57 0.165 8.942 -1.553 1.00 0.00 C ATOM 0 HA PRO A 57 -0.629 7.668 -4.445 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.461 9.495 -4.561 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.170 10.023 -4.198 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.108 9.474 -2.304 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.961 10.798 -2.289 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.681 8.652 -0.638 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.711 9.519 -1.256 1.00 0.00 H new ATOM 855 N ASP A 58 1.016 5.989 -4.977 1.00 0.00 N ATOM 856 CA ASP A 58 2.015 5.025 -5.424 1.00 0.00 C ATOM 857 C ASP A 58 3.260 5.736 -5.947 1.00 0.00 C ATOM 858 O ASP A 58 4.379 5.430 -5.539 1.00 0.00 O ATOM 859 CB ASP A 58 1.434 4.122 -6.513 1.00 0.00 C ATOM 860 CG ASP A 58 2.503 3.548 -7.421 1.00 0.00 C ATOM 861 OD1 ASP A 58 3.641 3.350 -6.947 1.00 0.00 O ATOM 862 OD2 ASP A 58 2.201 3.295 -8.606 1.00 0.00 O ATOM 0 H ASP A 58 0.080 5.830 -5.350 1.00 0.00 H new ATOM 0 HA ASP A 58 2.300 4.412 -4.569 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.881 3.306 -6.047 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.721 4.691 -7.110 1.00 0.00 H new ATOM 867 N ASN A 59 3.055 6.686 -6.853 1.00 0.00 N ATOM 868 CA ASN A 59 4.161 7.440 -7.434 1.00 0.00 C ATOM 869 C ASN A 59 5.198 7.789 -6.371 1.00 0.00 C ATOM 870 O ASN A 59 6.402 7.670 -6.600 1.00 0.00 O ATOM 871 CB ASN A 59 3.643 8.718 -8.095 1.00 0.00 C ATOM 872 CG ASN A 59 4.701 9.403 -8.939 1.00 0.00 C ATOM 873 OD1 ASN A 59 5.884 9.392 -8.599 1.00 0.00 O ATOM 874 ND2 ASN A 59 4.278 10.003 -10.045 1.00 0.00 N ATOM 0 H ASN A 59 2.134 6.952 -7.201 1.00 0.00 H new ATOM 0 HA ASN A 59 4.637 6.815 -8.190 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.783 8.477 -8.720 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.295 9.406 -7.325 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.944 10.481 -10.653 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.287 9.986 -10.287 1.00 0.00 H new ATOM 881 N PHE A 60 4.723 8.219 -5.206 1.00 0.00 N ATOM 882 CA PHE A 60 5.609 8.586 -4.108 1.00 0.00 C ATOM 883 C PHE A 60 6.416 7.380 -3.634 1.00 0.00 C ATOM 884 O PHE A 60 7.580 7.508 -3.255 1.00 0.00 O ATOM 885 CB PHE A 60 4.800 9.162 -2.943 1.00 0.00 C ATOM 886 CG PHE A 60 4.558 10.640 -3.055 1.00 0.00 C ATOM 887 CD1 PHE A 60 3.797 11.154 -4.092 1.00 0.00 C ATOM 888 CD2 PHE A 60 5.091 11.515 -2.122 1.00 0.00 C ATOM 889 CE1 PHE A 60 3.574 12.514 -4.197 1.00 0.00 C ATOM 890 CE2 PHE A 60 4.870 12.876 -2.222 1.00 0.00 C ATOM 891 CZ PHE A 60 4.110 13.376 -3.260 1.00 0.00 C ATOM 0 H PHE A 60 3.730 8.322 -4.999 1.00 0.00 H new ATOM 0 HA PHE A 60 6.302 9.345 -4.471 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.840 8.648 -2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.325 8.957 -2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.373 10.485 -4.826 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.686 11.129 -1.307 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.981 12.903 -5.011 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.292 13.547 -1.489 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.935 14.439 -3.339 1.00 0.00 H new ATOM 901 N VAL A 61 5.788 6.209 -3.659 1.00 0.00 N ATOM 902 CA VAL A 61 6.447 4.980 -3.233 1.00 0.00 C ATOM 903 C VAL A 61 6.875 4.142 -4.432 1.00 0.00 C ATOM 904 O VAL A 61 6.576 4.479 -5.578 1.00 0.00 O ATOM 905 CB VAL A 61 5.528 4.134 -2.331 1.00 0.00 C ATOM 906 CG1 VAL A 61 5.141 4.912 -1.083 1.00 0.00 C ATOM 907 CG2 VAL A 61 4.290 3.691 -3.098 1.00 0.00 C ATOM 0 H VAL A 61 4.824 6.085 -3.970 1.00 0.00 H new ATOM 0 HA VAL A 61 7.330 5.274 -2.666 1.00 0.00 H new ATOM 0 HB VAL A 61 6.074 3.243 -2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.492 4.298 -0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 61 6.040 5.174 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.614 5.822 -1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.652 3.095 -2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.741 4.568 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.590 3.093 -3.958 1.00 0.00 H new ATOM 917 N LYS A 62 7.577 3.047 -4.161 1.00 0.00 N ATOM 918 CA LYS A 62 8.046 2.157 -5.217 1.00 0.00 C ATOM 919 C LYS A 62 7.945 0.698 -4.785 1.00 0.00 C ATOM 920 O LYS A 62 7.962 0.391 -3.592 1.00 0.00 O ATOM 921 CB LYS A 62 9.492 2.491 -5.589 1.00 0.00 C ATOM 922 CG LYS A 62 9.616 3.610 -6.609 1.00 0.00 C ATOM 923 CD LYS A 62 11.038 4.139 -6.688 1.00 0.00 C ATOM 924 CE LYS A 62 11.899 3.287 -7.607 1.00 0.00 C ATOM 925 NZ LYS A 62 11.488 3.419 -9.032 1.00 0.00 N ATOM 0 H LYS A 62 7.834 2.754 -3.218 1.00 0.00 H new ATOM 0 HA LYS A 62 7.410 2.303 -6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.035 2.772 -4.686 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.972 1.596 -5.984 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.308 3.246 -7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.939 4.422 -6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.025 5.167 -7.049 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.477 4.157 -5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.943 3.581 -7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.830 2.242 -7.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.275 3.133 -9.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.666 2.808 -9.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.235 4.408 -9.230 1.00 0.00 H new ATOM 939 N LEU A 63 7.842 -0.198 -5.760 1.00 0.00 N ATOM 940 CA LEU A 63 7.740 -1.626 -5.480 1.00 0.00 C ATOM 941 C LEU A 63 9.122 -2.268 -5.418 1.00 0.00 C ATOM 942 O LEU A 63 9.855 -2.288 -6.408 1.00 0.00 O ATOM 943 CB LEU A 63 6.892 -2.316 -6.549 1.00 0.00 C ATOM 944 CG LEU A 63 5.392 -2.402 -6.264 1.00 0.00 C ATOM 945 CD1 LEU A 63 5.119 -3.378 -5.131 1.00 0.00 C ATOM 946 CD2 LEU A 63 4.833 -1.026 -5.931 1.00 0.00 C ATOM 0 H LEU A 63 7.827 0.039 -6.752 1.00 0.00 H new ATOM 0 HA LEU A 63 7.259 -1.748 -4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.033 -1.788 -7.492 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.273 -3.327 -6.690 1.00 0.00 H new ATOM 0 HG LEU A 63 4.892 -2.769 -7.160 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.046 -3.426 -4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.483 -4.367 -5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.631 -3.041 -4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.764 -1.106 -5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.339 -0.631 -5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.995 -0.354 -6.774 1.00 0.00 H new ATOM 958 N LEU A 64 9.472 -2.795 -4.249 1.00 0.00 N ATOM 959 CA LEU A 64 10.766 -3.441 -4.058 1.00 0.00 C ATOM 960 C LEU A 64 10.804 -4.800 -4.750 1.00 0.00 C ATOM 961 O LEU A 64 9.785 -5.483 -4.854 1.00 0.00 O ATOM 962 CB LEU A 64 11.059 -3.608 -2.566 1.00 0.00 C ATOM 963 CG LEU A 64 11.032 -2.328 -1.729 1.00 0.00 C ATOM 964 CD1 LEU A 64 11.213 -2.651 -0.254 1.00 0.00 C ATOM 965 CD2 LEU A 64 12.108 -1.360 -2.201 1.00 0.00 C ATOM 0 H LEU A 64 8.878 -2.787 -3.420 1.00 0.00 H new ATOM 0 HA LEU A 64 11.531 -2.805 -4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.333 -4.306 -2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.041 -4.068 -2.458 1.00 0.00 H new ATOM 0 HG LEU A 64 10.060 -1.852 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.191 -1.728 0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.407 -3.306 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.171 -3.150 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 64 12.074 -0.455 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.087 -1.828 -2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.934 -1.103 -3.246 1.00 0.00 H new