USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 617 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 33 THR OG1 : rot -80:sc= 2.9 USER MOD Set 1.2: A 35 THR OG1 : rot -10:sc= 1.2 USER MOD Set 2.1: A 13 ASN : amide:sc= -0.173 K(o=0.94,f=0.064) USER MOD Set 2.2: A 17 THR OG1 : rot 75:sc= 1.27 USER MOD Set 2.3: A 25 TYR OH : rot 42:sc= -0.163 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -65:sc= -0.0446 USER MOD Single : A 46 THR OG1 : rot 170:sc= -1.17 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 63:sc= 1.25 USER MOD Single : A 65 GLN : amide:sc= 1.16 K(o=1.2,f=-0.94) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0128 USER MOD Single : A 78 TYR OH : rot -140:sc= 0.0627 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 1.232 -12.212 0.698 1.00 0.00 N ATOM 67 CA PHE A 8 1.850 -10.954 1.151 1.00 0.00 C ATOM 68 C PHE A 8 0.901 -9.751 1.199 1.00 0.00 C ATOM 69 O PHE A 8 0.877 -9.002 2.174 1.00 0.00 O ATOM 70 CB PHE A 8 3.005 -10.674 0.176 1.00 0.00 C ATOM 71 CG PHE A 8 3.463 -9.234 0.134 1.00 0.00 C ATOM 72 CD1 PHE A 8 4.199 -8.708 1.207 1.00 0.00 C ATOM 73 CD2 PHE A 8 3.104 -8.408 -0.949 1.00 0.00 C ATOM 74 CE1 PHE A 8 4.651 -7.377 1.154 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.545 -7.080 -1.000 1.00 0.00 C ATOM 76 CZ PHE A 8 4.343 -6.578 0.039 1.00 0.00 C ATOM 0 HA PHE A 8 2.176 -11.082 2.183 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.853 -11.303 0.449 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.697 -10.972 -0.826 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.417 -9.322 2.069 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.486 -8.800 -1.743 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.233 -6.970 1.968 1.00 0.00 H new ATOM 0 HE2 PHE A 8 3.273 -6.447 -1.832 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.724 -5.569 -0.018 1.00 0.00 H new ATOM 86 N LYS A 9 0.128 -9.558 0.133 1.00 0.00 N ATOM 87 CA LYS A 9 -0.851 -8.488 -0.012 1.00 0.00 C ATOM 88 C LYS A 9 -1.869 -8.431 1.134 1.00 0.00 C ATOM 89 O LYS A 9 -2.373 -7.354 1.439 1.00 0.00 O ATOM 90 CB LYS A 9 -1.520 -8.655 -1.377 1.00 0.00 C ATOM 91 CG LYS A 9 -2.309 -9.968 -1.564 1.00 0.00 C ATOM 92 CD LYS A 9 -2.561 -10.317 -3.034 1.00 0.00 C ATOM 93 CE LYS A 9 -1.303 -10.949 -3.641 1.00 0.00 C ATOM 94 NZ LYS A 9 -1.426 -11.229 -5.084 1.00 0.00 N ATOM 0 H LYS A 9 0.169 -10.167 -0.684 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.339 -7.527 0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.198 -7.816 -1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.753 -8.597 -2.149 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.761 -10.784 -1.092 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.265 -9.886 -1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.401 -11.007 -3.115 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.832 -9.419 -3.589 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.456 -10.282 -3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.083 -11.878 -3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.543 -11.655 -5.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.214 -11.888 -5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.607 -10.342 -5.596 1.00 0.00 H new ATOM 108 N ALA A 10 -2.169 -9.572 1.745 1.00 0.00 N ATOM 109 CA ALA A 10 -2.983 -9.748 2.938 1.00 0.00 C ATOM 110 C ALA A 10 -2.310 -9.116 4.160 1.00 0.00 C ATOM 111 O ALA A 10 -2.899 -8.222 4.757 1.00 0.00 O ATOM 112 CB ALA A 10 -3.273 -11.239 3.164 1.00 0.00 C ATOM 0 H ALA A 10 -1.822 -10.464 1.391 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.933 -9.235 2.791 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.883 -11.359 4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.809 -11.640 2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.334 -11.777 3.290 1.00 0.00 H new ATOM 118 N GLU A 11 -1.086 -9.520 4.525 1.00 0.00 N ATOM 119 CA GLU A 11 -0.360 -8.916 5.653 1.00 0.00 C ATOM 120 C GLU A 11 -0.219 -7.407 5.474 1.00 0.00 C ATOM 121 O GLU A 11 -0.303 -6.644 6.437 1.00 0.00 O ATOM 122 CB GLU A 11 1.065 -9.467 5.766 1.00 0.00 C ATOM 123 CG GLU A 11 1.189 -10.850 6.388 1.00 0.00 C ATOM 124 CD GLU A 11 0.675 -10.947 7.826 1.00 0.00 C ATOM 125 OE1 GLU A 11 1.082 -10.128 8.676 1.00 0.00 O ATOM 126 OE2 GLU A 11 -0.089 -11.906 8.098 1.00 0.00 O ATOM 0 H GLU A 11 -0.575 -10.266 4.054 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.941 -9.156 6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.504 -9.496 4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.659 -8.769 6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.642 -11.563 5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.237 -11.151 6.369 1.00 0.00 H new ATOM 133 N LEU A 12 0.061 -6.985 4.241 1.00 0.00 N ATOM 134 CA LEU A 12 0.273 -5.592 3.898 1.00 0.00 C ATOM 135 C LEU A 12 -1.046 -4.815 3.960 1.00 0.00 C ATOM 136 O LEU A 12 -1.052 -3.669 4.397 1.00 0.00 O ATOM 137 CB LEU A 12 0.915 -5.548 2.511 1.00 0.00 C ATOM 138 CG LEU A 12 1.495 -4.173 2.143 1.00 0.00 C ATOM 139 CD1 LEU A 12 2.808 -3.874 2.873 1.00 0.00 C ATOM 140 CD2 LEU A 12 1.736 -4.170 0.638 1.00 0.00 C ATOM 0 H LEU A 12 0.147 -7.617 3.445 1.00 0.00 H new ATOM 0 HA LEU A 12 0.940 -5.110 4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.710 -6.292 2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.170 -5.830 1.766 1.00 0.00 H new ATOM 0 HG LEU A 12 0.788 -3.400 2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.174 -2.891 2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.637 -3.888 3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.549 -4.630 2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.149 -3.207 0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.439 -4.962 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.793 -4.338 0.118 1.00 0.00 H new ATOM 152 N ASN A 13 -2.167 -5.432 3.575 1.00 0.00 N ATOM 153 CA ASN A 13 -3.503 -4.879 3.776 1.00 0.00 C ATOM 154 C ASN A 13 -3.772 -4.724 5.265 1.00 0.00 C ATOM 155 O ASN A 13 -4.130 -3.640 5.701 1.00 0.00 O ATOM 156 CB ASN A 13 -4.568 -5.772 3.124 1.00 0.00 C ATOM 157 CG ASN A 13 -5.983 -5.270 3.382 1.00 0.00 C ATOM 158 OD1 ASN A 13 -6.506 -5.421 4.479 1.00 0.00 O ATOM 159 ND2 ASN A 13 -6.654 -4.705 2.392 1.00 0.00 N ATOM 0 H ASN A 13 -2.169 -6.340 3.110 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.554 -3.899 3.301 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.392 -5.818 2.049 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.470 -6.788 3.507 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.613 -4.392 2.540 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.212 -4.582 1.481 1.00 0.00 H new ATOM 166 N GLU A 14 -3.568 -5.775 6.054 1.00 0.00 N ATOM 167 CA GLU A 14 -3.772 -5.766 7.508 1.00 0.00 C ATOM 168 C GLU A 14 -2.870 -4.733 8.207 1.00 0.00 C ATOM 169 O GLU A 14 -3.211 -4.239 9.281 1.00 0.00 O ATOM 170 CB GLU A 14 -3.502 -7.170 8.077 1.00 0.00 C ATOM 171 CG GLU A 14 -4.549 -8.225 7.663 1.00 0.00 C ATOM 172 CD GLU A 14 -5.608 -8.574 8.721 1.00 0.00 C ATOM 173 OE1 GLU A 14 -5.758 -7.896 9.763 1.00 0.00 O ATOM 174 OE2 GLU A 14 -6.281 -9.618 8.541 1.00 0.00 O ATOM 0 H GLU A 14 -3.250 -6.677 5.698 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.807 -5.482 7.699 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.517 -7.501 7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.471 -7.111 9.165 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.061 -7.869 6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.025 -9.140 7.387 1.00 0.00 H new ATOM 181 N PHE A 15 -1.709 -4.408 7.629 1.00 0.00 N ATOM 182 CA PHE A 15 -0.837 -3.327 8.079 1.00 0.00 C ATOM 183 C PHE A 15 -1.506 -1.985 7.776 1.00 0.00 C ATOM 184 O PHE A 15 -1.845 -1.226 8.682 1.00 0.00 O ATOM 185 CB PHE A 15 0.546 -3.474 7.416 1.00 0.00 C ATOM 186 CG PHE A 15 1.543 -2.383 7.740 1.00 0.00 C ATOM 187 CD1 PHE A 15 2.114 -2.301 9.024 1.00 0.00 C ATOM 188 CD2 PHE A 15 1.907 -1.452 6.750 1.00 0.00 C ATOM 189 CE1 PHE A 15 3.039 -1.284 9.317 1.00 0.00 C ATOM 190 CE2 PHE A 15 2.824 -0.433 7.046 1.00 0.00 C ATOM 191 CZ PHE A 15 3.393 -0.350 8.328 1.00 0.00 C ATOM 0 H PHE A 15 -1.344 -4.904 6.816 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.679 -3.375 9.156 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.972 -4.432 7.714 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.410 -3.508 6.335 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.842 -3.019 9.783 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.480 -1.522 5.761 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.478 -1.220 10.302 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.093 0.288 6.288 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.103 0.432 8.554 1.00 0.00 H new ATOM 201 N LEU A 16 -1.715 -1.700 6.490 1.00 0.00 N ATOM 202 CA LEU A 16 -2.232 -0.426 5.999 1.00 0.00 C ATOM 203 C LEU A 16 -3.634 -0.121 6.541 1.00 0.00 C ATOM 204 O LEU A 16 -3.929 1.044 6.780 1.00 0.00 O ATOM 205 CB LEU A 16 -2.259 -0.471 4.465 1.00 0.00 C ATOM 206 CG LEU A 16 -0.870 -0.512 3.799 1.00 0.00 C ATOM 207 CD1 LEU A 16 -1.008 -0.968 2.341 1.00 0.00 C ATOM 208 CD2 LEU A 16 -0.151 0.840 3.863 1.00 0.00 C ATOM 0 H LEU A 16 -1.524 -2.368 5.743 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.577 0.371 6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.824 -1.348 4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.797 0.403 4.099 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.261 -1.225 4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.024 -0.996 1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.452 -1.963 2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.647 -0.270 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.823 0.757 3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.748 1.594 3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.016 1.131 4.905 1.00 0.00 H new ATOM 220 N THR A 17 -4.467 -1.132 6.796 1.00 0.00 N ATOM 221 CA THR A 17 -5.793 -0.998 7.403 1.00 0.00 C ATOM 222 C THR A 17 -5.713 -0.279 8.752 1.00 0.00 C ATOM 223 O THR A 17 -6.628 0.460 9.112 1.00 0.00 O ATOM 224 CB THR A 17 -6.417 -2.400 7.564 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.655 -2.972 6.292 1.00 0.00 O ATOM 226 CG2 THR A 17 -7.736 -2.417 8.337 1.00 0.00 C ATOM 0 H THR A 17 -4.229 -2.100 6.578 1.00 0.00 H new ATOM 0 HA THR A 17 -6.424 -0.393 6.752 1.00 0.00 H new ATOM 0 HB THR A 17 -5.690 -2.972 8.141 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.806 -3.268 5.902 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.105 -3.440 8.404 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.575 -2.023 9.340 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.470 -1.800 7.818 1.00 0.00 H new ATOM 234 N ARG A 18 -4.648 -0.509 9.521 1.00 0.00 N ATOM 235 CA ARG A 18 -4.447 0.151 10.799 1.00 0.00 C ATOM 236 C ARG A 18 -3.662 1.437 10.605 1.00 0.00 C ATOM 237 O ARG A 18 -4.036 2.461 11.171 1.00 0.00 O ATOM 238 CB ARG A 18 -3.742 -0.811 11.753 1.00 0.00 C ATOM 239 CG ARG A 18 -4.705 -1.880 12.278 1.00 0.00 C ATOM 240 CD ARG A 18 -4.062 -2.551 13.492 1.00 0.00 C ATOM 241 NE ARG A 18 -4.923 -3.571 14.099 1.00 0.00 N ATOM 242 CZ ARG A 18 -5.981 -3.358 14.885 1.00 0.00 C ATOM 243 NH1 ARG A 18 -6.405 -2.129 15.163 1.00 0.00 N ATOM 244 NH2 ARG A 18 -6.606 -4.403 15.402 1.00 0.00 N ATOM 0 H ARG A 18 -3.904 -1.159 9.270 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.407 0.423 11.237 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.908 -1.290 11.239 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.322 -0.254 12.591 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.658 -1.430 12.554 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.913 -2.617 11.503 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.120 -3.009 13.192 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.824 -1.792 14.237 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.689 -4.544 13.900 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.919 -1.321 14.773 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.216 -1.994 15.766 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.277 -5.347 15.197 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.417 -4.265 16.005 1.00 0.00 H new ATOM 258 N GLU A 19 -2.597 1.404 9.805 1.00 0.00 N ATOM 259 CA GLU A 19 -1.737 2.564 9.614 1.00 0.00 C ATOM 260 C GLU A 19 -2.505 3.755 9.043 1.00 0.00 C ATOM 261 O GLU A 19 -2.314 4.884 9.497 1.00 0.00 O ATOM 262 CB GLU A 19 -0.544 2.200 8.707 1.00 0.00 C ATOM 263 CG GLU A 19 0.558 1.406 9.419 1.00 0.00 C ATOM 264 CD GLU A 19 0.922 1.978 10.789 1.00 0.00 C ATOM 265 OE1 GLU A 19 1.090 3.212 10.924 1.00 0.00 O ATOM 266 OE2 GLU A 19 0.936 1.216 11.777 1.00 0.00 O ATOM 0 H GLU A 19 -2.311 0.580 9.277 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.361 2.862 10.593 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.908 1.618 7.860 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.114 3.117 8.303 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.233 0.372 9.539 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.449 1.389 8.791 1.00 0.00 H new ATOM 273 N LEU A 20 -3.377 3.503 8.070 1.00 0.00 N ATOM 274 CA LEU A 20 -4.100 4.497 7.289 1.00 0.00 C ATOM 275 C LEU A 20 -5.601 4.443 7.605 1.00 0.00 C ATOM 276 O LEU A 20 -6.424 4.916 6.812 1.00 0.00 O ATOM 277 CB LEU A 20 -3.803 4.262 5.798 1.00 0.00 C ATOM 278 CG LEU A 20 -2.316 4.351 5.408 1.00 0.00 C ATOM 279 CD1 LEU A 20 -2.198 4.026 3.918 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.697 5.726 5.686 1.00 0.00 C ATOM 0 H LEU A 20 -3.609 2.549 7.792 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.767 5.501 7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.178 3.277 5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.361 4.993 5.212 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.765 3.639 6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.152 4.082 3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.576 3.020 3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.782 4.744 3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.648 5.720 5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.231 6.487 5.117 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.771 5.950 6.750 1.00 0.00 H new ATOM 292 N ALA A 21 -5.956 3.874 8.764 1.00 0.00 N ATOM 293 CA ALA A 21 -7.317 3.750 9.259 1.00 0.00 C ATOM 294 C ALA A 21 -8.031 5.097 9.177 1.00 0.00 C ATOM 295 O ALA A 21 -9.084 5.219 8.551 1.00 0.00 O ATOM 296 CB ALA A 21 -7.294 3.257 10.715 1.00 0.00 C ATOM 0 H ALA A 21 -5.269 3.474 9.402 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.856 3.030 8.643 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.315 3.165 11.084 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.802 2.286 10.762 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.748 3.971 11.332 1.00 0.00 H new ATOM 302 N GLU A 22 -7.480 6.103 9.849 1.00 0.00 N ATOM 303 CA GLU A 22 -8.096 7.415 9.985 1.00 0.00 C ATOM 304 C GLU A 22 -7.936 8.256 8.720 1.00 0.00 C ATOM 305 O GLU A 22 -8.673 9.227 8.527 1.00 0.00 O ATOM 306 CB GLU A 22 -7.423 8.162 11.128 1.00 0.00 C ATOM 307 CG GLU A 22 -7.590 7.512 12.499 1.00 0.00 C ATOM 308 CD GLU A 22 -6.951 8.450 13.519 1.00 0.00 C ATOM 309 OE1 GLU A 22 -7.628 9.440 13.885 1.00 0.00 O ATOM 310 OE2 GLU A 22 -5.746 8.282 13.820 1.00 0.00 O ATOM 0 H GLU A 22 -6.579 6.027 10.321 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.159 7.262 10.172 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.359 8.250 10.910 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.825 9.174 11.169 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.645 7.356 12.726 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.111 6.533 12.522 1.00 0.00 H new ATOM 317 N ASP A 23 -6.969 7.899 7.872 1.00 0.00 N ATOM 318 CA ASP A 23 -6.721 8.581 6.611 1.00 0.00 C ATOM 319 C ASP A 23 -7.830 8.282 5.622 1.00 0.00 C ATOM 320 O ASP A 23 -8.120 9.120 4.763 1.00 0.00 O ATOM 321 CB ASP A 23 -5.405 8.129 5.971 1.00 0.00 C ATOM 322 CG ASP A 23 -4.199 8.679 6.715 1.00 0.00 C ATOM 323 OD1 ASP A 23 -4.014 9.915 6.712 1.00 0.00 O ATOM 324 OD2 ASP A 23 -3.464 7.893 7.339 1.00 0.00 O ATOM 0 H ASP A 23 -6.333 7.121 8.048 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.673 9.646 6.837 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.361 7.040 5.961 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.373 8.459 4.933 1.00 0.00 H new ATOM 329 N GLY A 24 -8.410 7.080 5.690 1.00 0.00 N ATOM 330 CA GLY A 24 -9.428 6.651 4.755 1.00 0.00 C ATOM 331 C GLY A 24 -8.931 5.634 3.750 1.00 0.00 C ATOM 332 O GLY A 24 -9.204 5.806 2.565 1.00 0.00 O ATOM 0 H GLY A 24 -8.180 6.384 6.399 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.264 6.224 5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.811 7.521 4.221 1.00 0.00 H new ATOM 336 N TYR A 25 -8.219 4.600 4.195 1.00 0.00 N ATOM 337 CA TYR A 25 -7.788 3.456 3.397 1.00 0.00 C ATOM 338 C TYR A 25 -8.964 2.704 2.738 1.00 0.00 C ATOM 339 O TYR A 25 -10.136 3.002 2.995 1.00 0.00 O ATOM 340 CB TYR A 25 -6.977 2.568 4.346 1.00 0.00 C ATOM 341 CG TYR A 25 -6.340 1.347 3.727 1.00 0.00 C ATOM 342 CD1 TYR A 25 -5.300 1.495 2.793 1.00 0.00 C ATOM 343 CD2 TYR A 25 -6.795 0.066 4.086 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.698 0.357 2.229 1.00 0.00 C ATOM 345 CE2 TYR A 25 -6.185 -1.075 3.543 1.00 0.00 C ATOM 346 CZ TYR A 25 -5.131 -0.931 2.618 1.00 0.00 C ATOM 347 OH TYR A 25 -4.544 -2.035 2.086 1.00 0.00 O ATOM 0 H TYR A 25 -7.914 4.535 5.166 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.183 3.780 2.550 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.191 3.174 4.797 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.631 2.242 5.155 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.964 2.481 2.509 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.615 -0.040 4.781 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.908 0.466 1.501 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.522 -2.060 3.833 1.00 0.00 H new ATOM 0 HH TYR A 25 -3.574 -1.901 2.042 1.00 0.00 H new ATOM 357 N SER A 26 -8.660 1.755 1.846 1.00 0.00 N ATOM 358 CA SER A 26 -9.600 0.805 1.254 1.00 0.00 C ATOM 359 C SER A 26 -8.927 -0.536 0.954 1.00 0.00 C ATOM 360 O SER A 26 -9.558 -1.576 1.148 1.00 0.00 O ATOM 361 CB SER A 26 -10.195 1.356 -0.054 1.00 0.00 C ATOM 362 OG SER A 26 -11.551 1.755 0.096 1.00 0.00 O ATOM 0 H SER A 26 -7.708 1.625 1.503 1.00 0.00 H new ATOM 0 HA SER A 26 -10.394 0.655 1.985 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.603 2.208 -0.389 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.127 0.594 -0.831 1.00 0.00 H new ATOM 0 HG SER A 26 -11.887 2.100 -0.758 1.00 0.00 H new ATOM 368 N GLY A 27 -7.703 -0.543 0.425 1.00 0.00 N ATOM 369 CA GLY A 27 -7.068 -1.762 -0.053 1.00 0.00 C ATOM 370 C GLY A 27 -5.736 -1.434 -0.704 1.00 0.00 C ATOM 371 O GLY A 27 -5.228 -0.320 -0.578 1.00 0.00 O ATOM 0 H GLY A 27 -7.130 0.294 0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.916 -2.452 0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.718 -2.264 -0.770 1.00 0.00 H new ATOM 375 N VAL A 28 -5.124 -2.407 -1.365 1.00 0.00 N ATOM 376 CA VAL A 28 -3.793 -2.247 -1.926 1.00 0.00 C ATOM 377 C VAL A 28 -3.675 -3.193 -3.126 1.00 0.00 C ATOM 378 O VAL A 28 -4.342 -4.233 -3.168 1.00 0.00 O ATOM 379 CB VAL A 28 -2.764 -2.507 -0.796 1.00 0.00 C ATOM 380 CG1 VAL A 28 -2.903 -3.895 -0.144 1.00 0.00 C ATOM 381 CG2 VAL A 28 -1.309 -2.259 -1.194 1.00 0.00 C ATOM 0 H VAL A 28 -5.536 -3.326 -1.526 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.596 -1.242 -2.299 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.024 -1.755 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.151 -4.007 0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.897 -3.994 0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.759 -4.668 -0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.659 -2.465 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.042 -2.915 -2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.187 -1.220 -1.500 1.00 0.00 H new ATOM 391 N GLU A 29 -2.811 -2.864 -4.079 1.00 0.00 N ATOM 392 CA GLU A 29 -2.440 -3.706 -5.213 1.00 0.00 C ATOM 393 C GLU A 29 -0.935 -3.975 -5.164 1.00 0.00 C ATOM 394 O GLU A 29 -0.175 -3.234 -4.523 1.00 0.00 O ATOM 395 CB GLU A 29 -2.881 -3.056 -6.540 1.00 0.00 C ATOM 396 CG GLU A 29 -4.415 -3.112 -6.664 1.00 0.00 C ATOM 397 CD GLU A 29 -5.055 -2.253 -7.764 1.00 0.00 C ATOM 398 OE1 GLU A 29 -4.344 -1.606 -8.572 1.00 0.00 O ATOM 399 OE2 GLU A 29 -6.312 -2.233 -7.792 1.00 0.00 O ATOM 0 H GLU A 29 -2.329 -1.965 -4.084 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.957 -4.664 -5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.541 -2.021 -6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.420 -3.575 -7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.704 -4.149 -6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.844 -2.813 -5.708 1.00 0.00 H new ATOM 406 N VAL A 30 -0.514 -5.057 -5.824 1.00 0.00 N ATOM 407 CA VAL A 30 0.859 -5.543 -5.814 1.00 0.00 C ATOM 408 C VAL A 30 1.248 -6.056 -7.197 1.00 0.00 C ATOM 409 O VAL A 30 0.552 -6.907 -7.766 1.00 0.00 O ATOM 410 CB VAL A 30 1.058 -6.597 -4.702 1.00 0.00 C ATOM 411 CG1 VAL A 30 0.236 -7.890 -4.757 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.552 -6.913 -4.552 1.00 0.00 C ATOM 0 H VAL A 30 -1.137 -5.630 -6.393 1.00 0.00 H new ATOM 0 HA VAL A 30 1.532 -4.718 -5.581 1.00 0.00 H new ATOM 0 HB VAL A 30 0.645 -6.106 -3.821 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.494 -8.521 -3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.826 -7.648 -4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.455 -8.421 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.690 -7.657 -3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.938 -7.304 -5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.092 -6.003 -4.289 1.00 0.00 H new ATOM 422 N ARG A 31 2.391 -5.599 -7.716 1.00 0.00 N ATOM 423 CA ARG A 31 2.964 -6.062 -8.976 1.00 0.00 C ATOM 424 C ARG A 31 4.396 -6.516 -8.730 1.00 0.00 C ATOM 425 O ARG A 31 5.222 -5.752 -8.236 1.00 0.00 O ATOM 426 CB ARG A 31 2.880 -4.949 -10.035 1.00 0.00 C ATOM 427 CG ARG A 31 1.450 -4.822 -10.581 1.00 0.00 C ATOM 428 CD ARG A 31 1.335 -3.676 -11.590 1.00 0.00 C ATOM 429 NE ARG A 31 0.083 -3.755 -12.359 1.00 0.00 N ATOM 430 CZ ARG A 31 -0.112 -4.427 -13.498 1.00 0.00 C ATOM 431 NH1 ARG A 31 0.876 -5.105 -14.075 1.00 0.00 N ATOM 432 NH2 ARG A 31 -1.308 -4.425 -14.070 1.00 0.00 N ATOM 0 H ARG A 31 2.954 -4.881 -7.259 1.00 0.00 H new ATOM 0 HA ARG A 31 2.399 -6.911 -9.361 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.193 -4.001 -9.598 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.568 -5.166 -10.852 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.156 -5.758 -11.057 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.758 -4.653 -9.756 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.380 -2.722 -11.065 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.184 -3.705 -12.273 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.717 -3.245 -11.985 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.802 -5.118 -13.648 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.707 -5.612 -14.944 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.078 -3.911 -13.641 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.459 -4.937 -14.939 1.00 0.00 H new ATOM 446 N VAL A 32 4.690 -7.770 -9.069 1.00 0.00 N ATOM 447 CA VAL A 32 6.049 -8.269 -9.240 1.00 0.00 C ATOM 448 C VAL A 32 6.404 -7.994 -10.698 1.00 0.00 C ATOM 449 O VAL A 32 5.609 -8.307 -11.595 1.00 0.00 O ATOM 450 CB VAL A 32 6.118 -9.777 -8.926 1.00 0.00 C ATOM 451 CG1 VAL A 32 7.552 -10.316 -9.007 1.00 0.00 C ATOM 452 CG2 VAL A 32 5.589 -10.083 -7.521 1.00 0.00 C ATOM 0 H VAL A 32 3.976 -8.479 -9.235 1.00 0.00 H new ATOM 0 HA VAL A 32 6.749 -7.782 -8.561 1.00 0.00 H new ATOM 0 HB VAL A 32 5.497 -10.263 -9.679 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.554 -11.382 -8.779 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.943 -10.160 -10.012 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.180 -9.790 -8.288 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.653 -11.155 -7.334 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.188 -9.550 -6.783 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.550 -9.763 -7.446 1.00 0.00 H new ATOM 462 N THR A 33 7.557 -7.383 -10.950 1.00 0.00 N ATOM 463 CA THR A 33 8.066 -7.189 -12.302 1.00 0.00 C ATOM 464 C THR A 33 9.446 -7.840 -12.458 1.00 0.00 C ATOM 465 O THR A 33 10.090 -8.136 -11.446 1.00 0.00 O ATOM 466 CB THR A 33 8.063 -5.689 -12.623 1.00 0.00 C ATOM 467 OG1 THR A 33 9.067 -5.020 -11.891 1.00 0.00 O ATOM 468 CG2 THR A 33 6.709 -5.040 -12.346 1.00 0.00 C ATOM 0 H THR A 33 8.165 -7.008 -10.222 1.00 0.00 H new ATOM 0 HA THR A 33 7.420 -7.684 -13.028 1.00 0.00 H new ATOM 0 HB THR A 33 8.266 -5.597 -13.690 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.751 -4.855 -10.978 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.758 -3.979 -12.589 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.944 -5.518 -12.959 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.457 -5.160 -11.292 1.00 0.00 H new ATOM 476 N PRO A 34 9.989 -7.929 -13.685 1.00 0.00 N ATOM 477 CA PRO A 34 11.399 -8.234 -13.908 1.00 0.00 C ATOM 478 C PRO A 34 12.326 -7.047 -13.581 1.00 0.00 C ATOM 479 O PRO A 34 13.455 -6.996 -14.089 1.00 0.00 O ATOM 480 CB PRO A 34 11.474 -8.679 -15.372 1.00 0.00 C ATOM 481 CG PRO A 34 10.343 -7.923 -16.057 1.00 0.00 C ATOM 482 CD PRO A 34 9.297 -7.751 -14.959 1.00 0.00 C ATOM 0 HA PRO A 34 11.757 -9.015 -13.238 1.00 0.00 H new ATOM 0 HB2 PRO A 34 12.440 -8.433 -15.813 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.345 -9.757 -15.467 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.681 -6.960 -16.441 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.945 -8.482 -16.904 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.837 -6.764 -15.014 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.497 -8.483 -15.070 1.00 0.00 H new ATOM 490 N THR A 35 11.863 -6.066 -12.794 1.00 0.00 N ATOM 491 CA THR A 35 12.649 -4.901 -12.414 1.00 0.00 C ATOM 492 C THR A 35 12.656 -4.719 -10.892 1.00 0.00 C ATOM 493 O THR A 35 13.727 -4.814 -10.294 1.00 0.00 O ATOM 494 CB THR A 35 12.192 -3.666 -13.220 1.00 0.00 C ATOM 495 OG1 THR A 35 10.818 -3.322 -13.082 1.00 0.00 O ATOM 496 CG2 THR A 35 12.425 -3.872 -14.719 1.00 0.00 C ATOM 0 H THR A 35 10.921 -6.066 -12.403 1.00 0.00 H new ATOM 0 HA THR A 35 13.696 -5.050 -12.678 1.00 0.00 H new ATOM 0 HB THR A 35 12.794 -2.860 -12.801 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.348 -4.037 -12.604 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.095 -2.987 -15.264 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.487 -4.036 -14.903 1.00 0.00 H new ATOM 0 HG23 THR A 35 11.860 -4.740 -15.059 1.00 0.00 H new ATOM 504 N ARG A 36 11.492 -4.575 -10.251 1.00 0.00 N ATOM 505 CA ARG A 36 11.313 -4.398 -8.807 1.00 0.00 C ATOM 506 C ARG A 36 9.921 -4.896 -8.399 1.00 0.00 C ATOM 507 O ARG A 36 9.101 -5.204 -9.274 1.00 0.00 O ATOM 508 CB ARG A 36 11.523 -2.916 -8.424 1.00 0.00 C ATOM 509 CG ARG A 36 10.469 -1.952 -8.996 1.00 0.00 C ATOM 510 CD ARG A 36 10.572 -0.549 -8.384 1.00 0.00 C ATOM 511 NE ARG A 36 11.809 0.136 -8.790 1.00 0.00 N ATOM 512 CZ ARG A 36 11.952 0.936 -9.853 1.00 0.00 C ATOM 513 NH1 ARG A 36 10.920 1.233 -10.640 1.00 0.00 N ATOM 514 NH2 ARG A 36 13.133 1.465 -10.145 1.00 0.00 N ATOM 0 H ARG A 36 10.603 -4.579 -10.752 1.00 0.00 H new ATOM 0 HA ARG A 36 12.056 -4.986 -8.268 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.522 -2.831 -7.337 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.509 -2.602 -8.767 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.590 -1.884 -10.077 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.473 -2.355 -8.811 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.711 0.045 -8.690 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.538 -0.623 -7.297 1.00 0.00 H new ATOM 0 HE ARG A 36 12.633 -0.013 -8.208 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.997 0.848 -10.438 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.052 1.845 -11.445 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.942 1.263 -9.557 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.232 2.074 -10.957 1.00 0.00 H new ATOM 528 N THR A 37 9.620 -4.941 -7.105 1.00 0.00 N ATOM 529 CA THR A 37 8.248 -5.035 -6.633 1.00 0.00 C ATOM 530 C THR A 37 7.681 -3.614 -6.532 1.00 0.00 C ATOM 531 O THR A 37 8.408 -2.661 -6.250 1.00 0.00 O ATOM 532 CB THR A 37 8.218 -5.781 -5.294 1.00 0.00 C ATOM 533 OG1 THR A 37 8.757 -7.086 -5.453 1.00 0.00 O ATOM 534 CG2 THR A 37 6.780 -5.931 -4.782 1.00 0.00 C ATOM 0 H THR A 37 10.317 -4.913 -6.361 1.00 0.00 H new ATOM 0 HA THR A 37 7.625 -5.603 -7.324 1.00 0.00 H new ATOM 0 HB THR A 37 8.807 -5.202 -4.582 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.736 -7.556 -4.593 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.786 -6.463 -3.831 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.339 -4.944 -4.643 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.192 -6.492 -5.508 1.00 0.00 H new ATOM 542 N GLU A 38 6.377 -3.471 -6.754 1.00 0.00 N ATOM 543 CA GLU A 38 5.666 -2.205 -6.848 1.00 0.00 C ATOM 544 C GLU A 38 4.360 -2.368 -6.060 1.00 0.00 C ATOM 545 O GLU A 38 3.682 -3.396 -6.190 1.00 0.00 O ATOM 546 CB GLU A 38 5.450 -1.893 -8.342 1.00 0.00 C ATOM 547 CG GLU A 38 6.808 -1.686 -9.052 1.00 0.00 C ATOM 548 CD GLU A 38 6.783 -1.158 -10.492 1.00 0.00 C ATOM 549 OE1 GLU A 38 6.418 -1.908 -11.425 1.00 0.00 O ATOM 550 OE2 GLU A 38 7.314 -0.047 -10.741 1.00 0.00 O ATOM 0 H GLU A 38 5.761 -4.274 -6.879 1.00 0.00 H new ATOM 0 HA GLU A 38 6.213 -1.363 -6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.906 -2.710 -8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.837 -0.998 -8.448 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.399 -0.995 -8.451 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.336 -2.640 -9.053 1.00 0.00 H new ATOM 557 N ILE A 39 4.049 -1.402 -5.186 1.00 0.00 N ATOM 558 CA ILE A 39 2.994 -1.476 -4.172 1.00 0.00 C ATOM 559 C ILE A 39 2.158 -0.206 -4.276 1.00 0.00 C ATOM 560 O ILE A 39 2.695 0.889 -4.112 1.00 0.00 O ATOM 561 CB ILE A 39 3.637 -1.578 -2.768 1.00 0.00 C ATOM 562 CG1 ILE A 39 4.407 -2.905 -2.602 1.00 0.00 C ATOM 563 CG2 ILE A 39 2.601 -1.384 -1.641 1.00 0.00 C ATOM 564 CD1 ILE A 39 5.290 -2.907 -1.358 1.00 0.00 C ATOM 0 H ILE A 39 4.547 -0.512 -5.167 1.00 0.00 H new ATOM 0 HA ILE A 39 2.365 -2.352 -4.329 1.00 0.00 H new ATOM 0 HB ILE A 39 4.355 -0.762 -2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.697 -3.730 -2.543 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.024 -3.078 -3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.097 -1.464 -0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.142 -0.400 -1.734 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.831 -2.152 -1.718 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.812 -3.861 -1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.019 -2.099 -1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.671 -2.762 -0.472 1.00 0.00 H new ATOM 576 N ILE A 40 0.848 -0.331 -4.476 1.00 0.00 N ATOM 577 CA ILE A 40 -0.031 0.801 -4.723 1.00 0.00 C ATOM 578 C ILE A 40 -1.138 0.776 -3.668 1.00 0.00 C ATOM 579 O ILE A 40 -1.959 -0.136 -3.666 1.00 0.00 O ATOM 580 CB ILE A 40 -0.581 0.750 -6.168 1.00 0.00 C ATOM 581 CG1 ILE A 40 0.447 0.502 -7.300 1.00 0.00 C ATOM 582 CG2 ILE A 40 -1.314 2.069 -6.450 1.00 0.00 C ATOM 583 CD1 ILE A 40 0.911 -0.950 -7.467 1.00 0.00 C ATOM 0 H ILE A 40 0.366 -1.230 -4.470 1.00 0.00 H new ATOM 0 HA ILE A 40 0.510 1.744 -4.638 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.229 -0.126 -6.191 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.011 0.836 -8.242 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.322 1.125 -7.115 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.711 2.055 -7.465 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.134 2.188 -5.742 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.619 2.902 -6.344 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.628 -1.011 -8.286 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.383 -1.289 -6.545 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.052 -1.583 -7.689 1.00 0.00 H new ATOM 595 N ILE A 41 -1.171 1.749 -2.757 1.00 0.00 N ATOM 596 CA ILE A 41 -2.269 1.907 -1.800 1.00 0.00 C ATOM 597 C ILE A 41 -3.493 2.442 -2.545 1.00 0.00 C ATOM 598 O ILE A 41 -3.373 3.402 -3.307 1.00 0.00 O ATOM 599 CB ILE A 41 -1.841 2.874 -0.680 1.00 0.00 C ATOM 600 CG1 ILE A 41 -0.754 2.232 0.200 1.00 0.00 C ATOM 601 CG2 ILE A 41 -3.041 3.229 0.213 1.00 0.00 C ATOM 602 CD1 ILE A 41 0.185 3.283 0.802 1.00 0.00 C ATOM 0 H ILE A 41 -0.437 2.451 -2.661 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.519 0.949 -1.345 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.451 3.776 -1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.225 1.663 1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.175 1.525 -0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.720 3.913 0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.814 3.706 -0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.441 2.320 0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.938 2.789 1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.676 3.834 0.000 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.390 3.974 1.418 1.00 0.00 H new ATOM 614 N LEU A 42 -4.667 1.889 -2.242 1.00 0.00 N ATOM 615 CA LEU A 42 -5.988 2.416 -2.587 1.00 0.00 C ATOM 616 C LEU A 42 -6.529 3.117 -1.345 1.00 0.00 C ATOM 617 O LEU A 42 -6.728 2.454 -0.321 1.00 0.00 O ATOM 618 CB LEU A 42 -6.971 1.283 -2.958 1.00 0.00 C ATOM 619 CG LEU A 42 -6.552 0.435 -4.163 1.00 0.00 C ATOM 620 CD1 LEU A 42 -7.351 -0.869 -4.228 1.00 0.00 C ATOM 621 CD2 LEU A 42 -6.732 1.218 -5.467 1.00 0.00 C ATOM 0 H LEU A 42 -4.726 1.014 -1.721 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.895 3.085 -3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.090 0.628 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.948 1.722 -3.163 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.497 0.189 -4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.031 -1.449 -5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.179 -1.447 -3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.413 -0.641 -4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.428 0.597 -6.309 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.779 1.498 -5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.117 2.117 -5.439 1.00 0.00 H new ATOM 633 N ALA A 43 -6.780 4.425 -1.416 1.00 0.00 N ATOM 634 CA ALA A 43 -7.410 5.163 -0.328 1.00 0.00 C ATOM 635 C ALA A 43 -8.275 6.309 -0.862 1.00 0.00 C ATOM 636 O ALA A 43 -8.168 6.693 -2.034 1.00 0.00 O ATOM 637 CB ALA A 43 -6.316 5.693 0.601 1.00 0.00 C ATOM 0 H ALA A 43 -6.552 4.998 -2.228 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.071 4.496 0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.772 6.248 1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.744 4.857 1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.652 6.352 0.042 1.00 0.00 H new ATOM 643 N THR A 44 -9.110 6.891 0.001 1.00 0.00 N ATOM 644 CA THR A 44 -9.945 8.028 -0.353 1.00 0.00 C ATOM 645 C THR A 44 -9.086 9.271 -0.627 1.00 0.00 C ATOM 646 O THR A 44 -9.326 9.983 -1.606 1.00 0.00 O ATOM 647 CB THR A 44 -10.981 8.302 0.755 1.00 0.00 C ATOM 648 OG1 THR A 44 -10.403 8.397 2.039 1.00 0.00 O ATOM 649 CG2 THR A 44 -12.080 7.249 0.866 1.00 0.00 C ATOM 0 H THR A 44 -9.222 6.582 0.967 1.00 0.00 H new ATOM 0 HA THR A 44 -10.484 7.788 -1.269 1.00 0.00 H new ATOM 0 HB THR A 44 -11.411 9.253 0.442 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.023 7.530 2.292 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.764 7.521 1.670 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.628 7.195 -0.075 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.633 6.278 1.082 1.00 0.00 H new ATOM 657 N ARG A 45 -8.104 9.554 0.236 1.00 0.00 N ATOM 658 CA ARG A 45 -7.356 10.804 0.305 1.00 0.00 C ATOM 659 C ARG A 45 -5.878 10.481 0.146 1.00 0.00 C ATOM 660 O ARG A 45 -5.133 10.414 1.125 1.00 0.00 O ATOM 661 CB ARG A 45 -7.629 11.565 1.623 1.00 0.00 C ATOM 662 CG ARG A 45 -9.097 11.694 2.042 1.00 0.00 C ATOM 663 CD ARG A 45 -10.028 12.314 0.993 1.00 0.00 C ATOM 664 NE ARG A 45 -11.424 12.132 1.416 1.00 0.00 N ATOM 665 CZ ARG A 45 -12.106 12.903 2.266 1.00 0.00 C ATOM 666 NH1 ARG A 45 -11.694 14.127 2.589 1.00 0.00 N ATOM 667 NH2 ARG A 45 -13.238 12.448 2.773 1.00 0.00 N ATOM 0 H ARG A 45 -7.798 8.881 0.938 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.679 11.466 -0.498 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.087 11.064 2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.210 12.567 1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.473 10.703 2.297 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.147 12.297 2.949 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.807 13.375 0.875 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.866 11.845 0.023 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.922 11.335 1.020 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.835 14.500 2.184 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.237 14.692 3.242 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.577 11.522 2.513 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.773 13.023 3.424 1.00 0.00 H new ATOM 681 N THR A 46 -5.443 10.328 -1.098 1.00 0.00 N ATOM 682 CA THR A 46 -4.040 10.211 -1.472 1.00 0.00 C ATOM 683 C THR A 46 -3.204 11.287 -0.769 1.00 0.00 C ATOM 684 O THR A 46 -2.160 10.962 -0.219 1.00 0.00 O ATOM 685 CB THR A 46 -3.919 10.305 -3.002 1.00 0.00 C ATOM 686 OG1 THR A 46 -4.804 11.312 -3.445 1.00 0.00 O ATOM 687 CG2 THR A 46 -4.322 9.005 -3.699 1.00 0.00 C ATOM 0 H THR A 46 -6.075 10.281 -1.897 1.00 0.00 H new ATOM 0 HA THR A 46 -3.651 9.245 -1.151 1.00 0.00 H new ATOM 0 HB THR A 46 -2.878 10.518 -3.244 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.633 11.505 -4.390 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.219 9.123 -4.778 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.677 8.195 -3.360 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.358 8.769 -3.457 1.00 0.00 H new ATOM 695 N GLN A 47 -3.668 12.545 -0.694 1.00 0.00 N ATOM 696 CA GLN A 47 -2.929 13.612 -0.017 1.00 0.00 C ATOM 697 C GLN A 47 -2.579 13.251 1.425 1.00 0.00 C ATOM 698 O GLN A 47 -1.457 13.485 1.869 1.00 0.00 O ATOM 699 CB GLN A 47 -3.733 14.922 -0.007 1.00 0.00 C ATOM 700 CG GLN A 47 -2.822 16.151 0.142 1.00 0.00 C ATOM 701 CD GLN A 47 -2.514 16.757 -1.221 1.00 0.00 C ATOM 702 OE1 GLN A 47 -1.440 16.546 -1.784 1.00 0.00 O ATOM 703 NE2 GLN A 47 -3.458 17.490 -1.788 1.00 0.00 N ATOM 0 H GLN A 47 -4.556 12.844 -1.097 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.006 13.743 -0.581 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.305 15.004 -0.931 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.452 14.901 0.812 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.306 16.894 0.776 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.894 15.865 0.637 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.340 17.651 -1.302 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.304 17.894 -2.712 1.00 0.00 H new ATOM 712 N ASN A 48 -3.543 12.704 2.165 1.00 0.00 N ATOM 713 CA ASN A 48 -3.364 12.396 3.576 1.00 0.00 C ATOM 714 C ASN A 48 -2.365 11.252 3.718 1.00 0.00 C ATOM 715 O ASN A 48 -1.477 11.311 4.565 1.00 0.00 O ATOM 716 CB ASN A 48 -4.704 12.032 4.237 1.00 0.00 C ATOM 717 CG ASN A 48 -5.674 13.195 4.395 1.00 0.00 C ATOM 718 OD1 ASN A 48 -5.581 14.209 3.705 1.00 0.00 O ATOM 719 ND2 ASN A 48 -6.627 13.079 5.302 1.00 0.00 N ATOM 0 H ASN A 48 -4.465 12.464 1.801 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.977 13.279 4.085 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.185 11.253 3.645 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.504 11.607 5.221 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.297 13.836 5.437 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.693 12.233 5.867 1.00 0.00 H new ATOM 726 N VAL A 49 -2.496 10.247 2.853 1.00 0.00 N ATOM 727 CA VAL A 49 -1.669 9.046 2.800 1.00 0.00 C ATOM 728 C VAL A 49 -0.233 9.389 2.367 1.00 0.00 C ATOM 729 O VAL A 49 0.719 8.745 2.807 1.00 0.00 O ATOM 730 CB VAL A 49 -2.387 8.049 1.859 1.00 0.00 C ATOM 731 CG1 VAL A 49 -1.565 6.816 1.488 1.00 0.00 C ATOM 732 CG2 VAL A 49 -3.707 7.585 2.497 1.00 0.00 C ATOM 0 H VAL A 49 -3.220 10.250 2.134 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.557 8.584 3.781 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.557 8.600 0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.148 6.175 0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.652 7.127 0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.307 6.265 2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.207 6.883 1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.499 7.095 3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.352 8.447 2.666 1.00 0.00 H new ATOM 742 N LEU A 50 -0.054 10.417 1.533 1.00 0.00 N ATOM 743 CA LEU A 50 1.249 10.925 1.124 1.00 0.00 C ATOM 744 C LEU A 50 1.864 11.760 2.244 1.00 0.00 C ATOM 745 O LEU A 50 3.059 11.631 2.503 1.00 0.00 O ATOM 746 CB LEU A 50 1.119 11.769 -0.157 1.00 0.00 C ATOM 747 CG LEU A 50 0.805 10.940 -1.422 1.00 0.00 C ATOM 748 CD1 LEU A 50 0.338 11.870 -2.550 1.00 0.00 C ATOM 749 CD2 LEU A 50 2.009 10.119 -1.894 1.00 0.00 C ATOM 0 H LEU A 50 -0.832 10.928 1.116 1.00 0.00 H new ATOM 0 HA LEU A 50 1.903 10.078 0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.332 12.509 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.048 12.318 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 50 0.012 10.238 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.118 11.280 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.560 12.401 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.124 12.590 -2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.737 9.554 -2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.837 10.788 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.311 9.429 -1.106 1.00 0.00 H new ATOM 761 N GLY A 51 1.083 12.609 2.914 1.00 0.00 N ATOM 762 CA GLY A 51 1.574 13.586 3.879 1.00 0.00 C ATOM 763 C GLY A 51 2.308 14.734 3.183 1.00 0.00 C ATOM 764 O GLY A 51 2.491 14.727 1.962 1.00 0.00 O ATOM 0 H GLY A 51 0.070 12.635 2.796 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.738 13.982 4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.245 13.097 4.585 1.00 0.00 H new ATOM 768 N GLU A 52 2.734 15.733 3.961 1.00 0.00 N ATOM 769 CA GLU A 52 3.323 16.964 3.438 1.00 0.00 C ATOM 770 C GLU A 52 4.567 16.650 2.603 1.00 0.00 C ATOM 771 O GLU A 52 5.544 16.084 3.107 1.00 0.00 O ATOM 772 CB GLU A 52 3.613 17.962 4.568 1.00 0.00 C ATOM 773 CG GLU A 52 4.234 19.254 4.012 1.00 0.00 C ATOM 774 CD GLU A 52 4.130 20.449 4.964 1.00 0.00 C ATOM 775 OE1 GLU A 52 4.190 20.282 6.203 1.00 0.00 O ATOM 776 OE2 GLU A 52 4.006 21.587 4.461 1.00 0.00 O ATOM 0 H GLU A 52 2.678 15.708 4.979 1.00 0.00 H new ATOM 0 HA GLU A 52 2.601 17.443 2.777 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.690 18.196 5.098 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.291 17.510 5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.285 19.073 3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.744 19.507 3.072 1.00 0.00 H new ATOM 783 N LYS A 53 4.507 16.978 1.307 1.00 0.00 N ATOM 784 CA LYS A 53 5.505 16.618 0.297 1.00 0.00 C ATOM 785 C LYS A 53 5.977 15.170 0.460 1.00 0.00 C ATOM 786 O LYS A 53 7.177 14.896 0.435 1.00 0.00 O ATOM 787 CB LYS A 53 6.665 17.632 0.288 1.00 0.00 C ATOM 788 CG LYS A 53 6.203 19.044 -0.099 1.00 0.00 C ATOM 789 CD LYS A 53 7.388 19.875 -0.604 1.00 0.00 C ATOM 790 CE LYS A 53 6.929 21.239 -1.132 1.00 0.00 C ATOM 791 NZ LYS A 53 7.927 21.826 -2.050 1.00 0.00 N ATOM 0 H LYS A 53 3.734 17.520 0.921 1.00 0.00 H new ATOM 0 HA LYS A 53 5.033 16.670 -0.684 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.127 17.661 1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.431 17.298 -0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.437 18.984 -0.872 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.748 19.533 0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.105 20.018 0.205 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.905 19.332 -1.395 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.977 21.128 -1.650 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.760 21.916 -0.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.586 22.748 -2.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.828 21.954 -1.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.070 21.190 -2.860 1.00 0.00 H new ATOM 805 N GLY A 54 5.044 14.245 0.677 1.00 0.00 N ATOM 806 CA GLY A 54 5.346 12.829 0.762 1.00 0.00 C ATOM 807 C GLY A 54 5.874 12.374 2.122 1.00 0.00 C ATOM 808 O GLY A 54 6.448 11.292 2.205 1.00 0.00 O ATOM 0 H GLY A 54 4.055 14.464 0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.444 12.263 0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.084 12.581 -0.001 1.00 0.00 H new ATOM 812 N ARG A 55 5.713 13.164 3.191 1.00 0.00 N ATOM 813 CA ARG A 55 6.186 12.799 4.527 1.00 0.00 C ATOM 814 C ARG A 55 5.719 11.405 4.958 1.00 0.00 C ATOM 815 O ARG A 55 6.566 10.578 5.296 1.00 0.00 O ATOM 816 CB ARG A 55 5.763 13.863 5.562 1.00 0.00 C ATOM 817 CG ARG A 55 6.835 14.914 5.887 1.00 0.00 C ATOM 818 CD ARG A 55 8.010 14.284 6.640 1.00 0.00 C ATOM 819 NE ARG A 55 9.117 15.230 6.852 1.00 0.00 N ATOM 820 CZ ARG A 55 10.420 14.921 6.813 1.00 0.00 C ATOM 821 NH1 ARG A 55 10.839 13.706 6.475 1.00 0.00 N ATOM 822 NH2 ARG A 55 11.319 15.850 7.114 1.00 0.00 N ATOM 0 H ARG A 55 5.251 14.073 3.151 1.00 0.00 H new ATOM 0 HA ARG A 55 7.274 12.764 4.480 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.874 14.375 5.192 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.479 13.358 6.485 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.193 15.371 4.964 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.398 15.711 6.489 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.663 13.915 7.605 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.375 13.422 6.081 1.00 0.00 H new ATOM 0 HE ARG A 55 8.872 16.201 7.045 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.162 12.981 6.237 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.837 13.498 6.454 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.015 16.789 7.372 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.313 15.625 7.087 1.00 0.00 H new ATOM 836 N ARG A 56 4.403 11.150 4.967 1.00 0.00 N ATOM 837 CA ARG A 56 3.831 9.868 5.386 1.00 0.00 C ATOM 838 C ARG A 56 4.329 8.747 4.482 1.00 0.00 C ATOM 839 O ARG A 56 4.744 7.715 5.002 1.00 0.00 O ATOM 840 CB ARG A 56 2.282 9.879 5.391 1.00 0.00 C ATOM 841 CG ARG A 56 1.580 9.944 6.754 1.00 0.00 C ATOM 842 CD ARG A 56 1.766 11.261 7.511 1.00 0.00 C ATOM 843 NE ARG A 56 1.213 11.179 8.879 1.00 0.00 N ATOM 844 CZ ARG A 56 0.933 12.225 9.669 1.00 0.00 C ATOM 845 NH1 ARG A 56 1.181 13.459 9.240 1.00 0.00 N ATOM 846 NH2 ARG A 56 0.417 12.044 10.882 1.00 0.00 N ATOM 0 H ARG A 56 3.703 11.834 4.681 1.00 0.00 H new ATOM 0 HA ARG A 56 4.162 9.697 6.410 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.949 10.732 4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.937 8.982 4.877 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.514 9.774 6.606 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.949 9.129 7.376 1.00 0.00 H new ATOM 0 HD2 ARG A 56 2.827 11.508 7.560 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.276 12.068 6.966 1.00 0.00 H new ATOM 0 HE ARG A 56 1.029 10.248 9.253 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.582 13.606 8.314 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.970 14.259 9.837 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.230 11.100 11.221 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.209 12.849 11.473 1.00 0.00 H new ATOM 860 N ILE A 57 4.278 8.911 3.152 1.00 0.00 N ATOM 861 CA ILE A 57 4.673 7.822 2.256 1.00 0.00 C ATOM 862 C ILE A 57 6.135 7.447 2.506 1.00 0.00 C ATOM 863 O ILE A 57 6.443 6.263 2.624 1.00 0.00 O ATOM 864 CB ILE A 57 4.322 8.091 0.776 1.00 0.00 C ATOM 865 CG1 ILE A 57 4.555 6.823 -0.074 1.00 0.00 C ATOM 866 CG2 ILE A 57 5.028 9.305 0.161 1.00 0.00 C ATOM 867 CD1 ILE A 57 3.648 6.791 -1.309 1.00 0.00 C ATOM 0 H ILE A 57 3.975 9.766 2.685 1.00 0.00 H new ATOM 0 HA ILE A 57 4.074 6.943 2.495 1.00 0.00 H new ATOM 0 HB ILE A 57 3.263 8.348 0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.598 6.782 -0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.371 5.938 0.535 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.721 9.416 -0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.758 10.203 0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.107 9.160 0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.843 5.883 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.604 6.805 -0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.851 7.662 -1.932 1.00 0.00 H new ATOM 879 N ARG A 58 7.047 8.417 2.644 1.00 0.00 N ATOM 880 CA ARG A 58 8.450 8.119 2.878 1.00 0.00 C ATOM 881 C ARG A 58 8.704 7.497 4.247 1.00 0.00 C ATOM 882 O ARG A 58 9.520 6.587 4.350 1.00 0.00 O ATOM 883 CB ARG A 58 9.269 9.403 2.690 1.00 0.00 C ATOM 884 CG ARG A 58 10.556 9.101 1.926 1.00 0.00 C ATOM 885 CD ARG A 58 11.828 9.442 2.703 1.00 0.00 C ATOM 886 NE ARG A 58 12.125 10.881 2.700 1.00 0.00 N ATOM 887 CZ ARG A 58 13.350 11.381 2.902 1.00 0.00 C ATOM 888 NH1 ARG A 58 14.373 10.592 3.220 1.00 0.00 N ATOM 889 NH2 ARG A 58 13.567 12.682 2.767 1.00 0.00 N ATOM 0 H ARG A 58 6.830 9.413 2.596 1.00 0.00 H new ATOM 0 HA ARG A 58 8.764 7.369 2.152 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.680 10.142 2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.507 9.836 3.661 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.573 8.043 1.665 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.552 9.660 0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.723 9.099 3.732 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.669 8.901 2.271 1.00 0.00 H new ATOM 0 HE ARG A 58 11.358 11.533 2.535 1.00 0.00 H new ATOM 0 HH11 ARG A 58 14.231 9.586 3.314 1.00 0.00 H new ATOM 0 HH12 ARG A 58 15.299 10.993 3.370 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.800 13.303 2.509 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.501 13.062 2.921 1.00 0.00 H new ATOM 903 N GLU A 59 7.996 7.953 5.283 1.00 0.00 N ATOM 904 CA GLU A 59 8.021 7.332 6.605 1.00 0.00 C ATOM 905 C GLU A 59 7.647 5.860 6.457 1.00 0.00 C ATOM 906 O GLU A 59 8.455 4.970 6.723 1.00 0.00 O ATOM 907 CB GLU A 59 7.047 8.057 7.552 1.00 0.00 C ATOM 908 CG GLU A 59 7.760 8.925 8.587 1.00 0.00 C ATOM 909 CD GLU A 59 8.307 8.095 9.752 1.00 0.00 C ATOM 910 OE1 GLU A 59 9.386 7.477 9.618 1.00 0.00 O ATOM 911 OE2 GLU A 59 7.663 8.087 10.829 1.00 0.00 O ATOM 0 H GLU A 59 7.386 8.769 5.226 1.00 0.00 H new ATOM 0 HA GLU A 59 9.019 7.409 7.037 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.373 8.681 6.964 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.431 7.319 8.066 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.579 9.462 8.108 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.068 9.675 8.970 1.00 0.00 H new ATOM 918 N LEU A 60 6.428 5.593 5.984 1.00 0.00 N ATOM 919 CA LEU A 60 5.904 4.251 5.868 1.00 0.00 C ATOM 920 C LEU A 60 6.720 3.407 4.892 1.00 0.00 C ATOM 921 O LEU A 60 6.719 2.196 5.069 1.00 0.00 O ATOM 922 CB LEU A 60 4.438 4.299 5.432 1.00 0.00 C ATOM 923 CG LEU A 60 3.422 4.644 6.535 1.00 0.00 C ATOM 924 CD1 LEU A 60 2.064 5.001 5.917 1.00 0.00 C ATOM 925 CD2 LEU A 60 3.217 3.453 7.469 1.00 0.00 C ATOM 0 H LEU A 60 5.780 6.315 5.671 1.00 0.00 H new ATOM 0 HA LEU A 60 5.975 3.778 6.848 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.340 5.033 4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.172 3.330 5.010 1.00 0.00 H new ATOM 0 HG LEU A 60 3.817 5.492 7.094 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.356 5.243 6.710 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.179 5.862 5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.691 4.153 5.343 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.495 3.717 8.242 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.843 2.603 6.898 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.166 3.188 7.934 1.00 0.00 H new ATOM 937 N THR A 61 7.429 3.986 3.916 1.00 0.00 N ATOM 938 CA THR A 61 8.352 3.243 3.062 1.00 0.00 C ATOM 939 C THR A 61 9.365 2.518 3.941 1.00 0.00 C ATOM 940 O THR A 61 9.487 1.304 3.810 1.00 0.00 O ATOM 941 CB THR A 61 9.022 4.160 2.021 1.00 0.00 C ATOM 942 OG1 THR A 61 8.038 4.689 1.154 1.00 0.00 O ATOM 943 CG2 THR A 61 10.076 3.430 1.180 1.00 0.00 C ATOM 0 H THR A 61 7.377 4.981 3.699 1.00 0.00 H new ATOM 0 HA THR A 61 7.799 2.500 2.488 1.00 0.00 H new ATOM 0 HB THR A 61 9.526 4.953 2.574 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.415 5.245 1.667 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.515 4.125 0.464 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.857 3.041 1.833 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.606 2.605 0.644 1.00 0.00 H new ATOM 951 N ALA A 62 10.032 3.216 4.867 1.00 0.00 N ATOM 952 CA ALA A 62 10.980 2.600 5.785 1.00 0.00 C ATOM 953 C ALA A 62 10.287 1.549 6.651 1.00 0.00 C ATOM 954 O ALA A 62 10.794 0.433 6.759 1.00 0.00 O ATOM 955 CB ALA A 62 11.628 3.683 6.657 1.00 0.00 C ATOM 0 H ALA A 62 9.926 4.222 4.996 1.00 0.00 H new ATOM 0 HA ALA A 62 11.757 2.097 5.210 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.337 3.221 7.344 1.00 0.00 H new ATOM 0 HB2 ALA A 62 12.151 4.397 6.021 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.857 4.201 7.227 1.00 0.00 H new ATOM 961 N VAL A 63 9.135 1.871 7.255 1.00 0.00 N ATOM 962 CA VAL A 63 8.414 0.922 8.107 1.00 0.00 C ATOM 963 C VAL A 63 8.132 -0.366 7.326 1.00 0.00 C ATOM 964 O VAL A 63 8.440 -1.454 7.805 1.00 0.00 O ATOM 965 CB VAL A 63 7.112 1.524 8.682 1.00 0.00 C ATOM 966 CG1 VAL A 63 6.551 0.611 9.785 1.00 0.00 C ATOM 967 CG2 VAL A 63 7.274 2.928 9.275 1.00 0.00 C ATOM 0 H VAL A 63 8.684 2.782 7.168 1.00 0.00 H new ATOM 0 HA VAL A 63 9.049 0.688 8.962 1.00 0.00 H new ATOM 0 HB VAL A 63 6.434 1.602 7.832 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.634 1.044 10.184 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.337 -0.373 9.369 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.285 0.514 10.585 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.313 3.275 9.656 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.998 2.898 10.090 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.626 3.611 8.502 1.00 0.00 H new ATOM 977 N VAL A 64 7.578 -0.254 6.120 1.00 0.00 N ATOM 978 CA VAL A 64 7.261 -1.362 5.233 1.00 0.00 C ATOM 979 C VAL A 64 8.538 -2.122 4.874 1.00 0.00 C ATOM 980 O VAL A 64 8.590 -3.341 5.037 1.00 0.00 O ATOM 981 CB VAL A 64 6.512 -0.806 4.003 1.00 0.00 C ATOM 982 CG1 VAL A 64 6.445 -1.808 2.855 1.00 0.00 C ATOM 983 CG2 VAL A 64 5.069 -0.450 4.392 1.00 0.00 C ATOM 0 H VAL A 64 7.329 0.651 5.721 1.00 0.00 H new ATOM 0 HA VAL A 64 6.605 -2.084 5.720 1.00 0.00 H new ATOM 0 HB VAL A 64 7.068 0.071 3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.908 -1.365 2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.455 -2.070 2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.924 -2.706 3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.544 -0.058 3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.558 -1.343 4.752 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.080 0.304 5.179 1.00 0.00 H new ATOM 993 N GLN A 65 9.575 -1.422 4.416 1.00 0.00 N ATOM 994 CA GLN A 65 10.854 -2.010 4.058 1.00 0.00 C ATOM 995 C GLN A 65 11.438 -2.823 5.211 1.00 0.00 C ATOM 996 O GLN A 65 12.144 -3.786 4.942 1.00 0.00 O ATOM 997 CB GLN A 65 11.841 -0.905 3.633 1.00 0.00 C ATOM 998 CG GLN A 65 11.911 -0.724 2.116 1.00 0.00 C ATOM 999 CD GLN A 65 12.998 0.267 1.726 1.00 0.00 C ATOM 1000 OE1 GLN A 65 12.718 1.345 1.216 1.00 0.00 O ATOM 1001 NE2 GLN A 65 14.255 -0.067 1.954 1.00 0.00 N ATOM 0 H GLN A 65 9.544 -0.411 4.283 1.00 0.00 H new ATOM 0 HA GLN A 65 10.690 -2.689 3.221 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.544 0.037 4.093 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.834 -1.146 4.012 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.106 -1.686 1.642 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.948 -0.375 1.745 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.474 -0.968 2.379 1.00 0.00 H new ATOM 0 HE22 GLN A 65 15.007 0.576 1.705 1.00 0.00 H new ATOM 1010 N LYS A 66 11.133 -2.490 6.467 1.00 0.00 N ATOM 1011 CA LYS A 66 11.700 -3.164 7.628 1.00 0.00 C ATOM 1012 C LYS A 66 10.778 -4.291 8.086 1.00 0.00 C ATOM 1013 O LYS A 66 11.257 -5.406 8.268 1.00 0.00 O ATOM 1014 CB LYS A 66 12.027 -2.115 8.701 1.00 0.00 C ATOM 1015 CG LYS A 66 13.202 -1.243 8.204 1.00 0.00 C ATOM 1016 CD LYS A 66 13.296 0.127 8.874 1.00 0.00 C ATOM 1017 CE LYS A 66 13.739 0.009 10.330 1.00 0.00 C ATOM 1018 NZ LYS A 66 14.305 1.280 10.816 1.00 0.00 N ATOM 0 H LYS A 66 10.482 -1.741 6.704 1.00 0.00 H new ATOM 0 HA LYS A 66 12.642 -3.656 7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.154 -1.494 8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.290 -2.604 9.639 1.00 0.00 H new ATOM 0 HG2 LYS A 66 14.135 -1.781 8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.105 -1.102 7.128 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.002 0.753 8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.327 0.624 8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.889 -0.275 10.950 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.482 -0.783 10.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.598 1.173 11.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.130 1.537 10.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.587 2.029 10.746 1.00 0.00 H new ATOM 1032 N ARG A 67 9.462 -4.054 8.166 1.00 0.00 N ATOM 1033 CA ARG A 67 8.440 -5.065 8.475 1.00 0.00 C ATOM 1034 C ARG A 67 8.526 -6.245 7.517 1.00 0.00 C ATOM 1035 O ARG A 67 8.299 -7.381 7.918 1.00 0.00 O ATOM 1036 CB ARG A 67 7.034 -4.434 8.366 1.00 0.00 C ATOM 1037 CG ARG A 67 5.915 -5.165 9.139 1.00 0.00 C ATOM 1038 CD ARG A 67 5.307 -6.397 8.442 1.00 0.00 C ATOM 1039 NE ARG A 67 5.430 -7.636 9.230 1.00 0.00 N ATOM 1040 CZ ARG A 67 4.519 -8.617 9.335 1.00 0.00 C ATOM 1041 NH1 ARG A 67 3.275 -8.457 8.885 1.00 0.00 N ATOM 1042 NH2 ARG A 67 4.868 -9.777 9.882 1.00 0.00 N ATOM 0 H ARG A 67 9.067 -3.126 8.013 1.00 0.00 H new ATOM 0 HA ARG A 67 8.617 -5.423 9.489 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.087 -3.406 8.725 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.755 -4.390 7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.312 -5.478 10.105 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.114 -4.453 9.339 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.253 -6.207 8.240 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.796 -6.538 7.478 1.00 0.00 H new ATOM 0 HE ARG A 67 6.298 -7.762 9.750 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.999 -7.576 8.451 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.599 -9.215 8.975 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.821 -9.916 10.218 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.183 -10.528 9.966 1.00 0.00 H new ATOM 1056 N PHE A 68 8.781 -5.956 6.240 1.00 0.00 N ATOM 1057 CA PHE A 68 8.723 -6.912 5.149 1.00 0.00 C ATOM 1058 C PHE A 68 10.114 -7.133 4.519 1.00 0.00 C ATOM 1059 O PHE A 68 10.222 -7.869 3.533 1.00 0.00 O ATOM 1060 CB PHE A 68 7.642 -6.465 4.143 1.00 0.00 C ATOM 1061 CG PHE A 68 6.215 -6.369 4.663 1.00 0.00 C ATOM 1062 CD1 PHE A 68 5.369 -7.488 4.562 1.00 0.00 C ATOM 1063 CD2 PHE A 68 5.696 -5.164 5.184 1.00 0.00 C ATOM 1064 CE1 PHE A 68 4.029 -7.412 4.976 1.00 0.00 C ATOM 1065 CE2 PHE A 68 4.361 -5.097 5.623 1.00 0.00 C ATOM 1066 CZ PHE A 68 3.527 -6.222 5.525 1.00 0.00 C ATOM 0 H PHE A 68 9.041 -5.018 5.934 1.00 0.00 H new ATOM 0 HA PHE A 68 8.430 -7.892 5.525 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.927 -5.489 3.751 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.651 -7.161 3.304 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.753 -8.415 4.162 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.327 -4.289 5.246 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.383 -8.271 4.872 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.976 -4.177 6.037 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.505 -6.172 5.870 1.00 0.00 H new ATOM 1076 N GLY A 69 11.177 -6.554 5.094 1.00 0.00 N ATOM 1077 CA GLY A 69 12.587 -6.770 4.756 1.00 0.00 C ATOM 1078 C GLY A 69 12.926 -6.563 3.279 1.00 0.00 C ATOM 1079 O GLY A 69 13.665 -7.369 2.713 1.00 0.00 O ATOM 0 H GLY A 69 11.067 -5.882 5.853 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.198 -6.094 5.354 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.864 -7.785 5.040 1.00 0.00 H new ATOM 1083 N PHE A 70 12.378 -5.529 2.637 1.00 0.00 N ATOM 1084 CA PHE A 70 12.627 -5.246 1.224 1.00 0.00 C ATOM 1085 C PHE A 70 13.950 -4.490 1.026 1.00 0.00 C ATOM 1086 O PHE A 70 14.284 -3.627 1.845 1.00 0.00 O ATOM 1087 CB PHE A 70 11.486 -4.417 0.630 1.00 0.00 C ATOM 1088 CG PHE A 70 10.310 -5.249 0.170 1.00 0.00 C ATOM 1089 CD1 PHE A 70 10.286 -5.811 -1.123 1.00 0.00 C ATOM 1090 CD2 PHE A 70 9.242 -5.471 1.051 1.00 0.00 C ATOM 1091 CE1 PHE A 70 9.175 -6.561 -1.548 1.00 0.00 C ATOM 1092 CE2 PHE A 70 8.165 -6.278 0.641 1.00 0.00 C ATOM 1093 CZ PHE A 70 8.106 -6.786 -0.664 1.00 0.00 C ATOM 0 H PHE A 70 11.748 -4.863 3.084 1.00 0.00 H new ATOM 0 HA PHE A 70 12.690 -6.206 0.711 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.143 -3.699 1.375 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.867 -3.843 -0.215 1.00 0.00 H new ATOM 0 HD1 PHE A 70 11.124 -5.665 -1.789 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.246 -5.027 2.035 1.00 0.00 H new ATOM 0 HE1 PHE A 70 9.143 -6.963 -2.550 1.00 0.00 H new ATOM 0 HE2 PHE A 70 7.375 -6.509 1.340 1.00 0.00 H new ATOM 0 HZ PHE A 70 7.243 -7.348 -0.989 1.00 0.00 H new ATOM 1103 N PRO A 71 14.676 -4.743 -0.080 1.00 0.00 N ATOM 1104 CA PRO A 71 15.797 -3.906 -0.477 1.00 0.00 C ATOM 1105 C PRO A 71 15.313 -2.518 -0.924 1.00 0.00 C ATOM 1106 O PRO A 71 14.199 -2.357 -1.427 1.00 0.00 O ATOM 1107 CB PRO A 71 16.506 -4.638 -1.623 1.00 0.00 C ATOM 1108 CG PRO A 71 15.693 -5.904 -1.892 1.00 0.00 C ATOM 1109 CD PRO A 71 14.406 -5.755 -1.091 1.00 0.00 C ATOM 0 HA PRO A 71 16.478 -3.743 0.358 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.555 -4.011 -2.513 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.532 -4.885 -1.350 1.00 0.00 H new ATOM 0 HG2 PRO A 71 15.480 -6.012 -2.956 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.243 -6.793 -1.585 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.579 -5.453 -1.734 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.122 -6.701 -0.630 1.00 0.00 H new ATOM 1117 N GLU A 72 16.186 -1.519 -0.794 1.00 0.00 N ATOM 1118 CA GLU A 72 15.919 -0.129 -1.150 1.00 0.00 C ATOM 1119 C GLU A 72 15.706 -0.024 -2.667 1.00 0.00 C ATOM 1120 O GLU A 72 16.579 -0.437 -3.438 1.00 0.00 O ATOM 1121 CB GLU A 72 17.115 0.727 -0.690 1.00 0.00 C ATOM 1122 CG GLU A 72 16.798 2.235 -0.627 1.00 0.00 C ATOM 1123 CD GLU A 72 16.609 2.760 0.804 1.00 0.00 C ATOM 1124 OE1 GLU A 72 16.107 2.007 1.675 1.00 0.00 O ATOM 1125 OE2 GLU A 72 16.946 3.939 1.069 1.00 0.00 O ATOM 0 H GLU A 72 17.127 -1.661 -0.427 1.00 0.00 H new ATOM 0 HA GLU A 72 15.015 0.233 -0.659 1.00 0.00 H new ATOM 0 HB2 GLU A 72 17.437 0.389 0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 72 17.951 0.567 -1.371 1.00 0.00 H new ATOM 0 HG2 GLU A 72 17.606 2.789 -1.105 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.893 2.433 -1.201 1.00 0.00 H new ATOM 1132 N GLY A 73 14.557 0.488 -3.118 1.00 0.00 N ATOM 1133 CA GLY A 73 14.254 0.719 -4.535 1.00 0.00 C ATOM 1134 C GLY A 73 13.922 -0.551 -5.329 1.00 0.00 C ATOM 1135 O GLY A 73 13.327 -0.457 -6.404 1.00 0.00 O ATOM 0 H GLY A 73 13.795 0.759 -2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.412 1.407 -4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.108 1.211 -5.001 1.00 0.00 H new ATOM 1139 N SER A 74 14.222 -1.732 -4.783 1.00 0.00 N ATOM 1140 CA SER A 74 13.637 -3.000 -5.201 1.00 0.00 C ATOM 1141 C SER A 74 12.192 -3.144 -4.705 1.00 0.00 C ATOM 1142 O SER A 74 11.484 -4.072 -5.102 1.00 0.00 O ATOM 1143 CB SER A 74 14.480 -4.148 -4.653 1.00 0.00 C ATOM 1144 OG SER A 74 15.852 -3.963 -4.949 1.00 0.00 O ATOM 0 H SER A 74 14.894 -1.831 -4.022 1.00 0.00 H new ATOM 0 HA SER A 74 13.623 -3.027 -6.291 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.345 -4.219 -3.574 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.137 -5.090 -5.080 1.00 0.00 H new ATOM 0 HG SER A 74 16.369 -4.712 -4.585 1.00 0.00 H new ATOM 1150 N VAL A 75 11.734 -2.208 -3.877 1.00 0.00 N ATOM 1151 CA VAL A 75 10.339 -1.956 -3.589 1.00 0.00 C ATOM 1152 C VAL A 75 10.087 -0.500 -3.959 1.00 0.00 C ATOM 1153 O VAL A 75 10.987 0.329 -3.801 1.00 0.00 O ATOM 1154 CB VAL A 75 10.064 -2.293 -2.110 1.00 0.00 C ATOM 1155 CG1 VAL A 75 10.712 -1.343 -1.085 1.00 0.00 C ATOM 1156 CG2 VAL A 75 8.563 -2.377 -1.828 1.00 0.00 C ATOM 0 H VAL A 75 12.359 -1.581 -3.370 1.00 0.00 H new ATOM 0 HA VAL A 75 9.652 -2.579 -4.162 1.00 0.00 H new ATOM 0 HB VAL A 75 10.540 -3.264 -1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.457 -1.668 -0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.795 -1.358 -1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.343 -0.330 -1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.403 -2.616 -0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.096 -1.419 -2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.119 -3.155 -2.449 1.00 0.00 H new ATOM 1166 N GLU A 76 8.873 -0.163 -4.385 1.00 0.00 N ATOM 1167 CA GLU A 76 8.430 1.220 -4.472 1.00 0.00 C ATOM 1168 C GLU A 76 7.006 1.322 -3.949 1.00 0.00 C ATOM 1169 O GLU A 76 6.230 0.367 -4.076 1.00 0.00 O ATOM 1170 CB GLU A 76 8.511 1.716 -5.923 1.00 0.00 C ATOM 1171 CG GLU A 76 8.876 3.205 -6.029 1.00 0.00 C ATOM 1172 CD GLU A 76 10.249 3.546 -5.432 1.00 0.00 C ATOM 1173 OE1 GLU A 76 10.303 3.837 -4.214 1.00 0.00 O ATOM 1174 OE2 GLU A 76 11.260 3.560 -6.173 1.00 0.00 O ATOM 0 H GLU A 76 8.171 -0.842 -4.679 1.00 0.00 H new ATOM 0 HA GLU A 76 9.080 1.849 -3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.253 1.126 -6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.552 1.547 -6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.862 3.500 -7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.112 3.795 -5.522 1.00 0.00 H new ATOM 1181 N LEU A 77 6.671 2.481 -3.379 1.00 0.00 N ATOM 1182 CA LEU A 77 5.369 2.767 -2.804 1.00 0.00 C ATOM 1183 C LEU A 77 4.724 3.874 -3.631 1.00 0.00 C ATOM 1184 O LEU A 77 5.265 4.976 -3.765 1.00 0.00 O ATOM 1185 CB LEU A 77 5.464 3.168 -1.318 1.00 0.00 C ATOM 1186 CG LEU A 77 5.548 1.982 -0.331 1.00 0.00 C ATOM 1187 CD1 LEU A 77 6.936 1.332 -0.298 1.00 0.00 C ATOM 1188 CD2 LEU A 77 5.171 2.457 1.081 1.00 0.00 C ATOM 0 H LEU A 77 7.321 3.264 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 77 4.757 1.865 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.343 3.799 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.594 3.774 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 77 4.846 1.225 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.934 0.506 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.186 0.957 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.677 2.071 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.231 1.619 1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.860 3.240 1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.154 2.850 1.073 1.00 0.00 H new ATOM 1200 N TYR A 78 3.545 3.569 -4.156 1.00 0.00 N ATOM 1201 CA TYR A 78 2.668 4.429 -4.926 1.00 0.00 C ATOM 1202 C TYR A 78 1.335 4.586 -4.175 1.00 0.00 C ATOM 1203 O TYR A 78 1.036 3.819 -3.249 1.00 0.00 O ATOM 1204 CB TYR A 78 2.472 3.770 -6.298 1.00 0.00 C ATOM 1205 CG TYR A 78 3.755 3.471 -7.065 1.00 0.00 C ATOM 1206 CD1 TYR A 78 4.426 4.523 -7.720 1.00 0.00 C ATOM 1207 CD2 TYR A 78 4.298 2.166 -7.112 1.00 0.00 C ATOM 1208 CE1 TYR A 78 5.639 4.291 -8.392 1.00 0.00 C ATOM 1209 CE2 TYR A 78 5.484 1.924 -7.820 1.00 0.00 C ATOM 1210 CZ TYR A 78 6.175 2.985 -8.437 1.00 0.00 C ATOM 1211 OH TYR A 78 7.349 2.735 -9.072 1.00 0.00 O ATOM 0 H TYR A 78 3.149 2.636 -4.043 1.00 0.00 H new ATOM 0 HA TYR A 78 3.089 5.425 -5.062 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.925 2.838 -6.160 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.846 4.420 -6.909 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.004 5.517 -7.706 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.799 1.355 -6.602 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.158 5.108 -8.871 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.870 0.918 -7.893 1.00 0.00 H new ATOM 0 HH TYR A 78 7.284 1.886 -9.558 1.00 0.00 H new ATOM 1221 N ALA A 79 0.519 5.564 -4.573 1.00 0.00 N ATOM 1222 CA ALA A 79 -0.754 5.900 -3.951 1.00 0.00 C ATOM 1223 C ALA A 79 -1.762 6.276 -5.039 1.00 0.00 C ATOM 1224 O ALA A 79 -1.609 7.307 -5.703 1.00 0.00 O ATOM 1225 CB ALA A 79 -0.552 7.045 -2.949 1.00 0.00 C ATOM 0 H ALA A 79 0.739 6.164 -5.368 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.145 5.042 -3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.506 7.295 -2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.156 6.735 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.162 7.920 -3.470 1.00 0.00 H new ATOM 1231 N GLU A 80 -2.796 5.452 -5.201 1.00 0.00 N ATOM 1232 CA GLU A 80 -3.903 5.644 -6.128 1.00 0.00 C ATOM 1233 C GLU A 80 -5.137 6.104 -5.349 1.00 0.00 C ATOM 1234 O GLU A 80 -5.301 5.779 -4.167 1.00 0.00 O ATOM 1235 CB GLU A 80 -4.253 4.300 -6.787 1.00 0.00 C ATOM 1236 CG GLU A 80 -4.361 4.356 -8.305 1.00 0.00 C ATOM 1237 CD GLU A 80 -3.039 4.138 -9.040 1.00 0.00 C ATOM 1238 OE1 GLU A 80 -2.293 5.118 -9.282 1.00 0.00 O ATOM 1239 OE2 GLU A 80 -2.780 2.990 -9.466 1.00 0.00 O ATOM 0 H GLU A 80 -2.886 4.591 -4.661 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.616 6.382 -6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.494 3.567 -6.515 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.200 3.945 -6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.075 3.601 -8.634 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.767 5.326 -8.593 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.056 6.803 -6.011 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.351 7.112 -5.437 1.00 0.00 C ATOM 1248 C LYS A 81 -8.368 6.038 -5.779 1.00 0.00 C ATOM 1249 O LYS A 81 -8.252 5.347 -6.787 1.00 0.00 O ATOM 1250 CB LYS A 81 -7.809 8.493 -5.911 1.00 0.00 C ATOM 1251 CG LYS A 81 -8.532 9.149 -4.733 1.00 0.00 C ATOM 1252 CD LYS A 81 -8.782 10.642 -4.913 1.00 0.00 C ATOM 1253 CE LYS A 81 -7.417 11.331 -4.990 1.00 0.00 C ATOM 1254 NZ LYS A 81 -7.421 12.705 -4.472 1.00 0.00 N ATOM 0 H LYS A 81 -5.920 7.166 -6.954 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.262 7.133 -4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.957 9.096 -6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.473 8.406 -6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.487 8.647 -4.581 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.944 8.996 -3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.357 10.828 -5.820 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.364 11.036 -4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.690 10.743 -4.430 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.084 11.344 -6.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.467 13.110 -4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.090 13.281 -5.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.709 12.698 -3.473 1.00 0.00 H new ATOM 1268 N VAL A 82 -9.394 5.946 -4.940 1.00 0.00 N ATOM 1269 CA VAL A 82 -10.469 4.977 -5.096 1.00 0.00 C ATOM 1270 C VAL A 82 -11.530 5.535 -6.038 1.00 0.00 C ATOM 1271 O VAL A 82 -11.813 6.739 -6.074 1.00 0.00 O ATOM 1272 CB VAL A 82 -11.037 4.625 -3.711 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -12.311 3.771 -3.694 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -9.982 3.867 -2.898 1.00 0.00 C ATOM 0 H VAL A 82 -9.502 6.549 -4.125 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.094 4.056 -5.543 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.304 5.593 -3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.614 3.590 -2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.108 4.297 -4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.117 2.819 -4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.388 3.619 -1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -9.710 2.950 -3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.097 4.492 -2.777 1.00 0.00 H new