USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 699 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 76 THR OG1 : rot 180:sc= 0.073 USER MOD Set 1.2: A 90 SER OG : rot 81:sc= 0.0691 USER MOD Set 2.1: A 39 CYS SG : rot -112:sc= 0.642 USER MOD Set 2.2: A 54 SER OG : rot -150:sc= 0.527 USER MOD Set 3.1: A 27 GLN : amide:sc= 0.39 K(o=0.74,f=1.7) USER MOD Set 3.2: A 29 ASN : amide:sc= 0.354 K(o=0.74,f=1.7) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= -0.717 (180deg=-0.78) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.776 K(o=-0.78,f=-3) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 165:sc=-0.00389 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 137:sc= -0.861 (180deg=-2.79!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 23:sc= 0.368 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 155:sc= -0.309 (180deg=-1.39!) USER MOD Single : A 75 HIS : no HD1:sc= -1.64 X(o=-1.6,f=-1.8) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-0.19) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= -0.0327 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -2.38! C(o=-2.4!,f=-4.7!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 MET CE :methyl 175:sc= -0.805 (180deg=-0.823) USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 11 -0.727 -1.137 13.075 1.00 0.00 N ATOM 105 CA VAL A 11 -0.730 -1.948 11.863 1.00 0.00 C ATOM 106 C VAL A 11 -2.123 -2.013 11.249 1.00 0.00 C ATOM 107 O VAL A 11 -3.126 -2.077 11.961 1.00 0.00 O ATOM 108 CB VAL A 11 -0.237 -3.380 12.145 1.00 0.00 C ATOM 109 CG1 VAL A 11 -1.089 -4.036 13.222 1.00 0.00 C ATOM 110 CG2 VAL A 11 -0.247 -4.207 10.869 1.00 0.00 C ATOM 0 HA VAL A 11 -0.049 -1.469 11.160 1.00 0.00 H new ATOM 0 HB VAL A 11 0.789 -3.328 12.509 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.726 -5.047 13.408 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.026 -3.453 14.141 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.126 -4.078 12.890 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.104 -5.216 11.086 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.262 -4.253 10.473 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.409 -3.746 10.131 1.00 0.00 H new ATOM 120 N THR A 12 -2.180 -1.998 9.921 1.00 0.00 N ATOM 121 CA THR A 12 -3.451 -2.055 9.209 1.00 0.00 C ATOM 122 C THR A 12 -3.820 -3.491 8.857 1.00 0.00 C ATOM 123 O THR A 12 -4.949 -3.927 9.083 1.00 0.00 O ATOM 124 CB THR A 12 -3.409 -1.216 7.918 1.00 0.00 C ATOM 125 OG1 THR A 12 -2.817 0.061 8.182 1.00 0.00 O ATOM 126 CG2 THR A 12 -4.808 -1.024 7.352 1.00 0.00 C ATOM 0 H THR A 12 -1.360 -1.947 9.316 1.00 0.00 H new ATOM 0 HA THR A 12 -4.207 -1.642 9.877 1.00 0.00 H new ATOM 0 HB THR A 12 -2.807 -1.750 7.183 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.793 0.587 7.356 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.753 -0.429 6.441 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.245 -1.996 7.125 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.429 -0.509 8.085 1.00 0.00 H new ATOM 134 N LYS A 13 -2.861 -4.224 8.301 1.00 0.00 N ATOM 135 CA LYS A 13 -3.083 -5.613 7.918 1.00 0.00 C ATOM 136 C LYS A 13 -1.771 -6.390 7.902 1.00 0.00 C ATOM 137 O LYS A 13 -0.694 -5.806 7.792 1.00 0.00 O ATOM 138 CB LYS A 13 -3.747 -5.685 6.541 1.00 0.00 C ATOM 139 CG LYS A 13 -4.227 -7.077 6.169 1.00 0.00 C ATOM 140 CD LYS A 13 -5.024 -7.064 4.875 1.00 0.00 C ATOM 141 CE LYS A 13 -6.069 -8.169 4.854 1.00 0.00 C ATOM 142 NZ LYS A 13 -7.225 -7.858 5.739 1.00 0.00 N ATOM 0 H LYS A 13 -1.921 -3.878 8.106 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.744 -6.065 8.657 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.594 -5.000 6.519 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.039 -5.340 5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.370 -7.742 6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.844 -7.477 6.974 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.513 -6.097 4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.348 -7.185 4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.422 -8.315 3.833 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.612 -9.107 5.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.898 -8.651 5.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.888 -7.710 6.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.698 -6.995 5.402 1.00 0.00 H new ATOM 156 N ALA A 14 -1.869 -7.711 8.012 1.00 0.00 N ATOM 157 CA ALA A 14 -0.690 -8.568 8.007 1.00 0.00 C ATOM 158 C ALA A 14 -1.066 -10.017 7.718 1.00 0.00 C ATOM 159 O ALA A 14 -2.000 -10.556 8.310 1.00 0.00 O ATOM 160 CB ALA A 14 0.043 -8.465 9.336 1.00 0.00 C ATOM 0 H ALA A 14 -2.753 -8.211 8.106 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.027 -8.227 7.212 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.921 -9.110 9.318 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.354 -7.433 9.501 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.620 -8.777 10.143 1.00 0.00 H new ATOM 166 N GLY A 15 -0.331 -10.644 6.805 1.00 0.00 N ATOM 167 CA GLY A 15 -0.603 -12.026 6.453 1.00 0.00 C ATOM 168 C GLY A 15 0.466 -12.618 5.557 1.00 0.00 C ATOM 169 O GLY A 15 1.255 -11.889 4.957 1.00 0.00 O ATOM 0 H GLY A 15 0.449 -10.220 6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.680 -12.621 7.363 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.568 -12.086 5.950 1.00 0.00 H new ATOM 173 N TRP A 16 0.494 -13.943 5.469 1.00 0.00 N ATOM 174 CA TRP A 16 1.477 -14.633 4.641 1.00 0.00 C ATOM 175 C TRP A 16 1.115 -14.526 3.164 1.00 0.00 C ATOM 176 O TRP A 16 0.147 -15.136 2.706 1.00 0.00 O ATOM 177 CB TRP A 16 1.576 -16.103 5.050 1.00 0.00 C ATOM 178 CG TRP A 16 2.216 -16.305 6.390 1.00 0.00 C ATOM 179 CD1 TRP A 16 1.578 -16.496 7.582 1.00 0.00 C ATOM 180 CD2 TRP A 16 3.619 -16.334 6.674 1.00 0.00 C ATOM 181 NE1 TRP A 16 2.500 -16.642 8.591 1.00 0.00 N ATOM 182 CE2 TRP A 16 3.759 -16.548 8.060 1.00 0.00 C ATOM 183 CE3 TRP A 16 4.770 -16.203 5.893 1.00 0.00 C ATOM 184 CZ2 TRP A 16 5.004 -16.631 8.677 1.00 0.00 C ATOM 185 CZ3 TRP A 16 6.005 -16.286 6.508 1.00 0.00 C ATOM 186 CH2 TRP A 16 6.114 -16.499 7.889 1.00 0.00 C ATOM 0 H TRP A 16 -0.152 -14.561 5.960 1.00 0.00 H new ATOM 0 HA TRP A 16 2.445 -14.155 4.794 1.00 0.00 H new ATOM 0 HB2 TRP A 16 0.576 -16.537 5.064 1.00 0.00 H new ATOM 0 HB3 TRP A 16 2.148 -16.645 4.297 1.00 0.00 H new ATOM 0 HD1 TRP A 16 0.506 -16.528 7.713 1.00 0.00 H new ATOM 0 HE1 TRP A 16 2.282 -16.795 9.576 1.00 0.00 H new ATOM 0 HE3 TRP A 16 4.696 -16.040 4.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.090 -16.794 9.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 6.901 -16.185 5.914 1.00 0.00 H new ATOM 0 HH2 TRP A 16 7.094 -16.560 8.340 1.00 0.00 H new ATOM 197 N LEU A 17 1.897 -13.750 2.422 1.00 0.00 N ATOM 198 CA LEU A 17 1.658 -13.564 0.995 1.00 0.00 C ATOM 199 C LEU A 17 2.847 -14.056 0.176 1.00 0.00 C ATOM 200 O LEU A 17 4.001 -13.851 0.552 1.00 0.00 O ATOM 201 CB LEU A 17 1.390 -12.089 0.690 1.00 0.00 C ATOM 202 CG LEU A 17 -0.022 -11.587 0.995 1.00 0.00 C ATOM 203 CD1 LEU A 17 -0.090 -10.073 0.864 1.00 0.00 C ATOM 204 CD2 LEU A 17 -1.035 -12.250 0.073 1.00 0.00 C ATOM 0 H LEU A 17 2.702 -13.239 2.785 1.00 0.00 H new ATOM 0 HA LEU A 17 0.782 -14.150 0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.099 -11.486 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.596 -11.913 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.268 -11.854 2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.102 -9.734 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.607 -9.615 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.176 -9.783 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.034 -11.881 0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.792 -12.015 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.005 -13.330 0.216 1.00 0.00 H new ATOM 216 N PHE A 18 2.557 -14.705 -0.947 1.00 0.00 N ATOM 217 CA PHE A 18 3.602 -15.225 -1.821 1.00 0.00 C ATOM 218 C PHE A 18 4.008 -14.186 -2.862 1.00 0.00 C ATOM 219 O PHE A 18 3.186 -13.732 -3.658 1.00 0.00 O ATOM 220 CB PHE A 18 3.125 -16.501 -2.518 1.00 0.00 C ATOM 221 CG PHE A 18 3.114 -17.705 -1.620 1.00 0.00 C ATOM 222 CD1 PHE A 18 2.374 -17.705 -0.448 1.00 0.00 C ATOM 223 CD2 PHE A 18 3.842 -18.838 -1.948 1.00 0.00 C ATOM 224 CE1 PHE A 18 2.363 -18.812 0.380 1.00 0.00 C ATOM 225 CE2 PHE A 18 3.834 -19.947 -1.124 1.00 0.00 C ATOM 226 CZ PHE A 18 3.093 -19.935 0.041 1.00 0.00 C ATOM 0 H PHE A 18 1.607 -14.883 -1.273 1.00 0.00 H new ATOM 0 HA PHE A 18 4.472 -15.457 -1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.120 -16.339 -2.908 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.770 -16.701 -3.373 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.800 -16.831 -0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.422 -18.854 -2.859 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.784 -18.799 1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.407 -20.823 -1.391 1.00 0.00 H new ATOM 0 HZ PHE A 18 3.084 -20.801 0.686 1.00 0.00 H new ATOM 236 N LYS A 19 5.283 -13.811 -2.849 1.00 0.00 N ATOM 237 CA LYS A 19 5.801 -12.826 -3.791 1.00 0.00 C ATOM 238 C LYS A 19 6.498 -13.509 -4.964 1.00 0.00 C ATOM 239 O LYS A 19 7.345 -14.380 -4.771 1.00 0.00 O ATOM 240 CB LYS A 19 6.775 -11.879 -3.086 1.00 0.00 C ATOM 241 CG LYS A 19 7.012 -10.581 -3.837 1.00 0.00 C ATOM 242 CD LYS A 19 8.143 -9.776 -3.218 1.00 0.00 C ATOM 243 CE LYS A 19 8.425 -8.510 -4.012 1.00 0.00 C ATOM 244 NZ LYS A 19 9.411 -8.748 -5.103 1.00 0.00 N ATOM 0 H LYS A 19 5.977 -14.175 -2.196 1.00 0.00 H new ATOM 0 HA LYS A 19 4.959 -12.251 -4.176 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.390 -11.649 -2.092 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.729 -12.389 -2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.248 -10.800 -4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.098 -9.987 -3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.885 -9.513 -2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.044 -10.387 -3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.495 -8.134 -4.438 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.804 -7.738 -3.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.576 -7.861 -5.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.307 -9.083 -4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.039 -9.466 -5.757 1.00 0.00 H new ATOM 258 N GLN A 20 6.137 -13.105 -6.178 1.00 0.00 N ATOM 259 CA GLN A 20 6.729 -13.678 -7.381 1.00 0.00 C ATOM 260 C GLN A 20 8.185 -13.248 -7.528 1.00 0.00 C ATOM 261 O GLN A 20 8.525 -12.087 -7.305 1.00 0.00 O ATOM 262 CB GLN A 20 5.932 -13.257 -8.617 1.00 0.00 C ATOM 263 CG GLN A 20 6.016 -14.253 -9.763 1.00 0.00 C ATOM 264 CD GLN A 20 4.821 -14.174 -10.693 1.00 0.00 C ATOM 265 OE1 GLN A 20 4.062 -13.204 -10.666 1.00 0.00 O ATOM 266 NE2 GLN A 20 4.648 -15.196 -11.522 1.00 0.00 N ATOM 0 H GLN A 20 5.438 -12.384 -6.354 1.00 0.00 H new ATOM 0 HA GLN A 20 6.697 -14.764 -7.290 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.887 -13.125 -8.337 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.295 -12.289 -8.961 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.927 -14.070 -10.332 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.090 -15.262 -9.358 1.00 0.00 H new ATOM 0 HE21 GLN A 20 5.302 -15.979 -11.510 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.861 -15.199 -12.171 1.00 0.00 H new ATOM 275 N ALA A 21 9.040 -14.193 -7.906 1.00 0.00 N ATOM 276 CA ALA A 21 10.459 -13.912 -8.085 1.00 0.00 C ATOM 277 C ALA A 21 10.691 -13.011 -9.294 1.00 0.00 C ATOM 278 O ALA A 21 9.771 -12.743 -10.067 1.00 0.00 O ATOM 279 CB ALA A 21 11.240 -15.209 -8.233 1.00 0.00 C ATOM 0 H ALA A 21 8.774 -15.160 -8.094 1.00 0.00 H new ATOM 0 HA ALA A 21 10.815 -13.387 -7.199 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.298 -14.983 -8.366 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.108 -15.817 -7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.874 -15.757 -9.101 1.00 0.00 H new ATOM 352 N GLN A 27 9.092 -18.551 -9.956 1.00 0.00 N ATOM 353 CA GLN A 27 8.717 -19.244 -8.729 1.00 0.00 C ATOM 354 C GLN A 27 8.147 -18.267 -7.705 1.00 0.00 C ATOM 355 O GLN A 27 8.416 -17.067 -7.761 1.00 0.00 O ATOM 356 CB GLN A 27 9.927 -19.971 -8.139 1.00 0.00 C ATOM 357 CG GLN A 27 11.001 -19.035 -7.609 1.00 0.00 C ATOM 358 CD GLN A 27 12.163 -19.778 -6.980 1.00 0.00 C ATOM 359 OE1 GLN A 27 12.721 -20.699 -7.576 1.00 0.00 O ATOM 360 NE2 GLN A 27 12.535 -19.379 -5.769 1.00 0.00 N ATOM 0 HA GLN A 27 7.947 -19.975 -8.975 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.591 -20.620 -7.330 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.362 -20.614 -8.904 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.371 -18.413 -8.424 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.561 -18.364 -6.871 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.044 -18.611 -5.312 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.312 -19.841 -5.296 1.00 0.00 H new ATOM 369 N TRP A 28 7.360 -18.790 -6.772 1.00 0.00 N ATOM 370 CA TRP A 28 6.752 -17.963 -5.735 1.00 0.00 C ATOM 371 C TRP A 28 7.361 -18.266 -4.370 1.00 0.00 C ATOM 372 O TRP A 28 7.370 -19.413 -3.925 1.00 0.00 O ATOM 373 CB TRP A 28 5.240 -18.191 -5.694 1.00 0.00 C ATOM 374 CG TRP A 28 4.540 -17.760 -6.947 1.00 0.00 C ATOM 375 CD1 TRP A 28 4.541 -18.405 -8.150 1.00 0.00 C ATOM 376 CD2 TRP A 28 3.738 -16.586 -7.120 1.00 0.00 C ATOM 377 NE1 TRP A 28 3.788 -17.704 -9.061 1.00 0.00 N ATOM 378 CE2 TRP A 28 3.284 -16.585 -8.453 1.00 0.00 C ATOM 379 CE3 TRP A 28 3.358 -15.538 -6.278 1.00 0.00 C ATOM 380 CZ2 TRP A 28 2.472 -15.575 -8.961 1.00 0.00 C ATOM 381 CZ3 TRP A 28 2.552 -14.536 -6.784 1.00 0.00 C ATOM 382 CH2 TRP A 28 2.115 -14.560 -8.115 1.00 0.00 C ATOM 0 H TRP A 28 7.128 -19.781 -6.712 1.00 0.00 H new ATOM 0 HA TRP A 28 6.949 -16.918 -5.976 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.044 -19.249 -5.523 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.821 -17.648 -4.847 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.058 -19.331 -8.356 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.630 -17.973 -10.032 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.688 -15.511 -5.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.135 -15.592 -9.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.254 -13.720 -6.142 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.485 -13.763 -8.480 1.00 0.00 H new ATOM 393 N ASN A 29 7.869 -17.230 -3.711 1.00 0.00 N ATOM 394 CA ASN A 29 8.481 -17.386 -2.396 1.00 0.00 C ATOM 395 C ASN A 29 7.579 -16.817 -1.305 1.00 0.00 C ATOM 396 O ASN A 29 7.215 -15.641 -1.335 1.00 0.00 O ATOM 397 CB ASN A 29 9.844 -16.692 -2.360 1.00 0.00 C ATOM 398 CG ASN A 29 10.793 -17.226 -3.415 1.00 0.00 C ATOM 399 OD1 ASN A 29 10.905 -18.437 -3.610 1.00 0.00 O ATOM 400 ND2 ASN A 29 11.483 -16.323 -4.101 1.00 0.00 N ATOM 0 H ASN A 29 7.869 -16.274 -4.066 1.00 0.00 H new ATOM 0 HA ASN A 29 8.618 -18.451 -2.210 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.707 -15.621 -2.507 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.290 -16.824 -1.374 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.138 -16.622 -4.823 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.358 -15.330 -3.906 1.00 0.00 H new ATOM 407 N LYS A 30 7.221 -17.660 -0.342 1.00 0.00 N ATOM 408 CA LYS A 30 6.363 -17.243 0.760 1.00 0.00 C ATOM 409 C LYS A 30 7.102 -16.289 1.694 1.00 0.00 C ATOM 410 O LYS A 30 8.213 -16.578 2.139 1.00 0.00 O ATOM 411 CB LYS A 30 5.874 -18.463 1.543 1.00 0.00 C ATOM 412 CG LYS A 30 5.002 -18.111 2.736 1.00 0.00 C ATOM 413 CD LYS A 30 4.670 -19.340 3.566 1.00 0.00 C ATOM 414 CE LYS A 30 3.567 -19.052 4.572 1.00 0.00 C ATOM 415 NZ LYS A 30 3.174 -20.272 5.330 1.00 0.00 N ATOM 0 H LYS A 30 7.512 -18.637 -0.303 1.00 0.00 H new ATOM 0 HA LYS A 30 5.504 -16.720 0.340 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.312 -19.113 0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.737 -19.032 1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.515 -17.378 3.359 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.080 -17.645 2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.361 -20.152 2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.563 -19.678 4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.903 -18.284 5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.697 -18.652 4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.420 -20.033 6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.829 -20.996 4.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.998 -20.640 5.847 1.00 0.00 H new ATOM 429 N ARG A 31 6.478 -15.153 1.987 1.00 0.00 N ATOM 430 CA ARG A 31 7.076 -14.158 2.868 1.00 0.00 C ATOM 431 C ARG A 31 6.007 -13.448 3.693 1.00 0.00 C ATOM 432 O ARG A 31 4.857 -13.331 3.268 1.00 0.00 O ATOM 433 CB ARG A 31 7.870 -13.135 2.053 1.00 0.00 C ATOM 434 CG ARG A 31 8.868 -12.340 2.878 1.00 0.00 C ATOM 435 CD ARG A 31 10.220 -13.035 2.937 1.00 0.00 C ATOM 436 NE ARG A 31 10.174 -14.253 3.741 1.00 0.00 N ATOM 437 CZ ARG A 31 11.039 -15.253 3.609 1.00 0.00 C ATOM 438 NH1 ARG A 31 12.011 -15.179 2.711 1.00 0.00 N ATOM 439 NH2 ARG A 31 10.932 -16.330 4.377 1.00 0.00 N ATOM 0 H ARG A 31 5.558 -14.899 1.627 1.00 0.00 H new ATOM 0 HA ARG A 31 7.753 -14.674 3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.402 -13.653 1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.174 -12.445 1.576 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.987 -11.346 2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.482 -12.206 3.888 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.546 -13.280 1.926 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.961 -12.353 3.354 1.00 0.00 H new ATOM 0 HE ARG A 31 9.438 -14.341 4.442 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.097 -14.353 2.119 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.674 -15.948 2.612 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.185 -16.391 5.069 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.596 -17.097 4.275 1.00 0.00 H new ATOM 453 N TRP A 32 6.393 -12.976 4.873 1.00 0.00 N ATOM 454 CA TRP A 32 5.467 -12.278 5.757 1.00 0.00 C ATOM 455 C TRP A 32 5.266 -10.835 5.306 1.00 0.00 C ATOM 456 O TRP A 32 6.200 -10.033 5.328 1.00 0.00 O ATOM 457 CB TRP A 32 5.983 -12.309 7.196 1.00 0.00 C ATOM 458 CG TRP A 32 5.030 -11.701 8.182 1.00 0.00 C ATOM 459 CD1 TRP A 32 5.272 -10.641 9.008 1.00 0.00 C ATOM 460 CD2 TRP A 32 3.687 -12.119 8.444 1.00 0.00 C ATOM 461 NE1 TRP A 32 4.159 -10.375 9.769 1.00 0.00 N ATOM 462 CE2 TRP A 32 3.173 -11.267 9.441 1.00 0.00 C ATOM 463 CE3 TRP A 32 2.867 -13.129 7.933 1.00 0.00 C ATOM 464 CZ2 TRP A 32 1.877 -11.397 9.936 1.00 0.00 C ATOM 465 CZ3 TRP A 32 1.582 -13.257 8.425 1.00 0.00 C ATOM 466 CH2 TRP A 32 1.097 -12.394 9.417 1.00 0.00 C ATOM 0 H TRP A 32 7.341 -13.064 5.240 1.00 0.00 H new ATOM 0 HA TRP A 32 4.505 -12.789 5.712 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.180 -13.342 7.482 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.934 -11.778 7.245 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.201 -10.092 9.056 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.080 -9.634 10.465 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.231 -13.798 7.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 1.502 -10.734 10.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.941 -14.035 8.039 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.087 -12.518 9.779 1.00 0.00 H new ATOM 477 N PHE A 33 4.044 -10.512 4.898 1.00 0.00 N ATOM 478 CA PHE A 33 3.722 -9.165 4.441 1.00 0.00 C ATOM 479 C PHE A 33 2.875 -8.428 5.474 1.00 0.00 C ATOM 480 O PHE A 33 1.941 -8.992 6.044 1.00 0.00 O ATOM 481 CB PHE A 33 2.981 -9.221 3.103 1.00 0.00 C ATOM 482 CG PHE A 33 3.890 -9.408 1.922 1.00 0.00 C ATOM 483 CD1 PHE A 33 4.297 -10.675 1.538 1.00 0.00 C ATOM 484 CD2 PHE A 33 4.337 -8.316 1.195 1.00 0.00 C ATOM 485 CE1 PHE A 33 5.133 -10.851 0.451 1.00 0.00 C ATOM 486 CE2 PHE A 33 5.173 -8.485 0.108 1.00 0.00 C ATOM 487 CZ PHE A 33 5.572 -9.754 -0.264 1.00 0.00 C ATOM 0 H PHE A 33 3.260 -11.164 4.874 1.00 0.00 H new ATOM 0 HA PHE A 33 4.657 -8.620 4.308 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.260 -10.038 3.130 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.413 -8.300 2.972 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.957 -11.536 2.094 1.00 0.00 H new ATOM 0 HD2 PHE A 33 4.028 -7.321 1.481 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.442 -11.844 0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.514 -7.626 -0.450 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.226 -9.888 -1.113 1.00 0.00 H new ATOM 497 N VAL A 34 3.208 -7.163 5.710 1.00 0.00 N ATOM 498 CA VAL A 34 2.479 -6.348 6.674 1.00 0.00 C ATOM 499 C VAL A 34 2.188 -4.961 6.112 1.00 0.00 C ATOM 500 O VAL A 34 3.099 -4.160 5.902 1.00 0.00 O ATOM 501 CB VAL A 34 3.262 -6.201 7.992 1.00 0.00 C ATOM 502 CG1 VAL A 34 2.536 -5.262 8.943 1.00 0.00 C ATOM 503 CG2 VAL A 34 3.481 -7.562 8.636 1.00 0.00 C ATOM 0 H VAL A 34 3.978 -6.681 5.247 1.00 0.00 H new ATOM 0 HA VAL A 34 1.538 -6.861 6.874 1.00 0.00 H new ATOM 0 HB VAL A 34 4.238 -5.769 7.769 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.104 -5.171 9.869 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.437 -4.280 8.480 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.546 -5.661 9.163 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.036 -7.439 9.566 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.517 -8.024 8.847 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.048 -8.199 7.957 1.00 0.00 H new ATOM 513 N LEU A 35 0.911 -4.683 5.869 1.00 0.00 N ATOM 514 CA LEU A 35 0.498 -3.392 5.331 1.00 0.00 C ATOM 515 C LEU A 35 0.588 -2.304 6.397 1.00 0.00 C ATOM 516 O LEU A 35 0.399 -2.567 7.584 1.00 0.00 O ATOM 517 CB LEU A 35 -0.930 -3.476 4.790 1.00 0.00 C ATOM 518 CG LEU A 35 -1.599 -2.143 4.452 1.00 0.00 C ATOM 519 CD1 LEU A 35 -0.873 -1.456 3.306 1.00 0.00 C ATOM 520 CD2 LEU A 35 -3.066 -2.355 4.106 1.00 0.00 C ATOM 0 H LEU A 35 0.144 -5.335 6.036 1.00 0.00 H new ATOM 0 HA LEU A 35 1.174 -3.133 4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.921 -4.093 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.546 -3.993 5.526 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.543 -1.498 5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.364 -0.509 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.162 -1.269 3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.897 -2.096 2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.526 -1.396 3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.144 -3.019 3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.579 -2.803 4.957 1.00 0.00 H new ATOM 532 N VAL A 36 0.874 -1.080 5.963 1.00 0.00 N ATOM 533 CA VAL A 36 0.985 0.049 6.879 1.00 0.00 C ATOM 534 C VAL A 36 0.184 1.245 6.377 1.00 0.00 C ATOM 535 O VAL A 36 -0.358 1.222 5.272 1.00 0.00 O ATOM 536 CB VAL A 36 2.453 0.473 7.073 1.00 0.00 C ATOM 537 CG1 VAL A 36 2.972 1.183 5.832 1.00 0.00 C ATOM 538 CG2 VAL A 36 2.594 1.357 8.302 1.00 0.00 C ATOM 0 H VAL A 36 1.033 -0.845 4.983 1.00 0.00 H new ATOM 0 HA VAL A 36 0.580 -0.280 7.836 1.00 0.00 H new ATOM 0 HB VAL A 36 3.055 -0.423 7.228 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.011 1.475 5.988 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.908 0.512 4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.370 2.071 5.642 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.638 1.647 8.424 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.981 2.250 8.180 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.265 0.808 9.184 1.00 0.00 H new ATOM 548 N ASP A 37 0.114 2.289 7.196 1.00 0.00 N ATOM 549 CA ASP A 37 -0.620 3.496 6.834 1.00 0.00 C ATOM 550 C ASP A 37 -0.651 3.680 5.320 1.00 0.00 C ATOM 551 O ASP A 37 -1.684 3.480 4.681 1.00 0.00 O ATOM 552 CB ASP A 37 0.013 4.721 7.496 1.00 0.00 C ATOM 553 CG ASP A 37 -1.010 5.782 7.850 1.00 0.00 C ATOM 554 OD1 ASP A 37 -2.128 5.412 8.267 1.00 0.00 O ATOM 555 OD2 ASP A 37 -0.693 6.981 7.711 1.00 0.00 O ATOM 0 H ASP A 37 0.556 2.324 8.114 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.645 3.389 7.190 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.538 4.411 8.400 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.758 5.149 6.825 1.00 0.00 H new ATOM 560 N ARG A 38 0.488 4.063 4.752 1.00 0.00 N ATOM 561 CA ARG A 38 0.591 4.276 3.313 1.00 0.00 C ATOM 562 C ARG A 38 1.830 3.588 2.749 1.00 0.00 C ATOM 563 O ARG A 38 2.637 4.210 2.057 1.00 0.00 O ATOM 564 CB ARG A 38 0.638 5.773 3.000 1.00 0.00 C ATOM 565 CG ARG A 38 -0.734 6.400 2.816 1.00 0.00 C ATOM 566 CD ARG A 38 -0.629 7.833 2.317 1.00 0.00 C ATOM 567 NE ARG A 38 -1.902 8.542 2.417 1.00 0.00 N ATOM 568 CZ ARG A 38 -2.007 9.866 2.423 1.00 0.00 C ATOM 569 NH1 ARG A 38 -0.921 10.621 2.335 1.00 0.00 N ATOM 570 NH2 ARG A 38 -3.201 10.438 2.516 1.00 0.00 N ATOM 0 H ARG A 38 1.352 4.232 5.266 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.291 3.841 2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.158 6.288 3.807 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.223 5.928 2.094 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.314 5.808 2.107 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.274 6.382 3.763 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.128 8.364 2.895 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.295 7.832 1.279 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.757 7.990 2.486 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.002 10.185 2.262 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.005 11.638 2.340 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.039 9.861 2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.280 11.455 2.521 1.00 0.00 H new ATOM 584 N CYS A 39 1.974 2.302 3.048 1.00 0.00 N ATOM 585 CA CYS A 39 3.116 1.529 2.572 1.00 0.00 C ATOM 586 C CYS A 39 2.983 0.062 2.969 1.00 0.00 C ATOM 587 O CYS A 39 2.102 -0.304 3.747 1.00 0.00 O ATOM 588 CB CYS A 39 4.417 2.106 3.130 1.00 0.00 C ATOM 589 SG CYS A 39 5.845 1.898 2.040 1.00 0.00 S ATOM 0 H CYS A 39 1.314 1.772 3.618 1.00 0.00 H new ATOM 0 HA CYS A 39 3.138 1.591 1.484 1.00 0.00 H new ATOM 0 HB2 CYS A 39 4.276 3.169 3.327 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.632 1.630 4.087 1.00 0.00 H new ATOM 0 HG CYS A 39 6.682 1.060 2.576 1.00 0.00 H new ATOM 595 N LEU A 40 3.864 -0.773 2.428 1.00 0.00 N ATOM 596 CA LEU A 40 3.845 -2.201 2.725 1.00 0.00 C ATOM 597 C LEU A 40 5.253 -2.719 2.998 1.00 0.00 C ATOM 598 O LEU A 40 6.176 -2.480 2.219 1.00 0.00 O ATOM 599 CB LEU A 40 3.220 -2.975 1.562 1.00 0.00 C ATOM 600 CG LEU A 40 3.347 -4.498 1.625 1.00 0.00 C ATOM 601 CD1 LEU A 40 2.777 -5.027 2.932 1.00 0.00 C ATOM 602 CD2 LEU A 40 2.646 -5.140 0.437 1.00 0.00 C ATOM 0 H LEU A 40 4.599 -0.486 1.782 1.00 0.00 H new ATOM 0 HA LEU A 40 3.242 -2.353 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.161 -2.720 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.677 -2.630 0.635 1.00 0.00 H new ATOM 0 HG LEU A 40 4.405 -4.758 1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.876 -6.112 2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.322 -4.592 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.724 -4.757 3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.746 -6.224 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.590 -4.872 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.099 -4.785 -0.488 1.00 0.00 H new ATOM 614 N PHE A 41 5.411 -3.433 4.108 1.00 0.00 N ATOM 615 CA PHE A 41 6.707 -3.987 4.483 1.00 0.00 C ATOM 616 C PHE A 41 6.632 -5.505 4.615 1.00 0.00 C ATOM 617 O PHE A 41 5.593 -6.057 4.980 1.00 0.00 O ATOM 618 CB PHE A 41 7.185 -3.372 5.800 1.00 0.00 C ATOM 619 CG PHE A 41 7.340 -1.879 5.744 1.00 0.00 C ATOM 620 CD1 PHE A 41 6.269 -1.048 6.030 1.00 0.00 C ATOM 621 CD2 PHE A 41 8.555 -1.307 5.404 1.00 0.00 C ATOM 622 CE1 PHE A 41 6.408 0.327 5.980 1.00 0.00 C ATOM 623 CE2 PHE A 41 8.700 0.066 5.352 1.00 0.00 C ATOM 624 CZ PHE A 41 7.624 0.884 5.639 1.00 0.00 C ATOM 0 H PHE A 41 4.658 -3.641 4.763 1.00 0.00 H new ATOM 0 HA PHE A 41 7.420 -3.744 3.696 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.477 -3.626 6.588 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.141 -3.818 6.074 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.315 -1.479 6.295 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.399 -1.942 5.177 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.566 0.964 6.207 1.00 0.00 H new ATOM 0 HE2 PHE A 41 9.653 0.499 5.087 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.734 1.958 5.597 1.00 0.00 H new ATOM 634 N TYR A 42 7.739 -6.174 4.314 1.00 0.00 N ATOM 635 CA TYR A 42 7.799 -7.629 4.395 1.00 0.00 C ATOM 636 C TYR A 42 9.012 -8.079 5.203 1.00 0.00 C ATOM 637 O TYR A 42 10.054 -7.423 5.200 1.00 0.00 O ATOM 638 CB TYR A 42 7.852 -8.237 2.993 1.00 0.00 C ATOM 639 CG TYR A 42 9.122 -7.913 2.240 1.00 0.00 C ATOM 640 CD1 TYR A 42 10.239 -8.733 2.336 1.00 0.00 C ATOM 641 CD2 TYR A 42 9.204 -6.786 1.430 1.00 0.00 C ATOM 642 CE1 TYR A 42 11.402 -8.439 1.650 1.00 0.00 C ATOM 643 CE2 TYR A 42 10.362 -6.486 0.739 1.00 0.00 C ATOM 644 CZ TYR A 42 11.458 -7.315 0.853 1.00 0.00 C ATOM 645 OH TYR A 42 12.614 -7.021 0.167 1.00 0.00 O ATOM 0 H TYR A 42 8.607 -5.732 4.012 1.00 0.00 H new ATOM 0 HA TYR A 42 6.898 -7.977 4.901 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.752 -9.320 3.072 1.00 0.00 H new ATOM 0 HB3 TYR A 42 6.998 -7.879 2.418 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.198 -9.615 2.957 1.00 0.00 H new ATOM 0 HD2 TYR A 42 8.348 -6.134 1.339 1.00 0.00 H new ATOM 0 HE1 TYR A 42 12.262 -9.086 1.738 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.409 -5.607 0.113 1.00 0.00 H new ATOM 0 HH TYR A 42 12.424 -6.351 -0.523 1.00 0.00 H new ATOM 655 N TYR A 43 8.869 -9.205 5.895 1.00 0.00 N ATOM 656 CA TYR A 43 9.951 -9.744 6.709 1.00 0.00 C ATOM 657 C TYR A 43 10.133 -11.237 6.455 1.00 0.00 C ATOM 658 O TYR A 43 9.221 -11.913 5.977 1.00 0.00 O ATOM 659 CB TYR A 43 9.673 -9.498 8.193 1.00 0.00 C ATOM 660 CG TYR A 43 9.066 -8.143 8.478 1.00 0.00 C ATOM 661 CD1 TYR A 43 7.799 -7.814 8.011 1.00 0.00 C ATOM 662 CD2 TYR A 43 9.759 -7.191 9.216 1.00 0.00 C ATOM 663 CE1 TYR A 43 7.242 -6.577 8.269 1.00 0.00 C ATOM 664 CE2 TYR A 43 9.209 -5.951 9.480 1.00 0.00 C ATOM 665 CZ TYR A 43 7.950 -5.649 9.004 1.00 0.00 C ATOM 666 OH TYR A 43 7.397 -4.416 9.264 1.00 0.00 O ATOM 0 H TYR A 43 8.014 -9.761 5.908 1.00 0.00 H new ATOM 0 HA TYR A 43 10.871 -9.232 6.429 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.001 -10.273 8.562 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.605 -9.594 8.750 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.241 -8.538 7.436 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.745 -7.424 9.590 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.257 -6.337 7.897 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.761 -5.223 10.055 1.00 0.00 H new ATOM 0 HH TYR A 43 8.024 -3.881 9.794 1.00 0.00 H new ATOM 676 N LYS A 44 11.316 -11.747 6.780 1.00 0.00 N ATOM 677 CA LYS A 44 11.619 -13.160 6.590 1.00 0.00 C ATOM 678 C LYS A 44 10.468 -14.034 7.079 1.00 0.00 C ATOM 679 O LYS A 44 10.048 -14.965 6.392 1.00 0.00 O ATOM 680 CB LYS A 44 12.906 -13.531 7.331 1.00 0.00 C ATOM 681 CG LYS A 44 14.168 -13.046 6.639 1.00 0.00 C ATOM 682 CD LYS A 44 14.461 -13.853 5.386 1.00 0.00 C ATOM 683 CE LYS A 44 15.179 -15.153 5.715 1.00 0.00 C ATOM 684 NZ LYS A 44 14.231 -16.212 6.161 1.00 0.00 N ATOM 0 H LYS A 44 12.081 -11.202 7.177 1.00 0.00 H new ATOM 0 HA LYS A 44 11.758 -13.336 5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.870 -13.113 8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.954 -14.615 7.438 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.059 -11.993 6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.012 -13.119 7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.528 -14.073 4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.072 -13.261 4.705 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.724 -15.499 4.837 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.917 -14.973 6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.484 -17.116 5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.283 -16.312 7.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.263 -15.949 5.887 1.00 0.00 H new ATOM 698 N ASP A 45 9.963 -13.727 8.269 1.00 0.00 N ATOM 699 CA ASP A 45 8.858 -14.483 8.848 1.00 0.00 C ATOM 700 C ASP A 45 8.028 -13.605 9.779 1.00 0.00 C ATOM 701 O ASP A 45 8.411 -12.477 10.087 1.00 0.00 O ATOM 702 CB ASP A 45 9.389 -15.698 9.611 1.00 0.00 C ATOM 703 CG ASP A 45 10.362 -15.313 10.708 1.00 0.00 C ATOM 704 OD1 ASP A 45 10.968 -14.226 10.609 1.00 0.00 O ATOM 705 OD2 ASP A 45 10.516 -16.100 11.666 1.00 0.00 O ATOM 0 H ASP A 45 10.301 -12.961 8.851 1.00 0.00 H new ATOM 0 HA ASP A 45 8.218 -14.825 8.035 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.552 -16.244 10.047 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.882 -16.375 8.913 1.00 0.00 H new ATOM 710 N GLU A 46 6.891 -14.131 10.223 1.00 0.00 N ATOM 711 CA GLU A 46 6.007 -13.393 11.118 1.00 0.00 C ATOM 712 C GLU A 46 6.800 -12.725 12.237 1.00 0.00 C ATOM 713 O GLU A 46 6.471 -11.622 12.673 1.00 0.00 O ATOM 714 CB GLU A 46 4.952 -14.328 11.713 1.00 0.00 C ATOM 715 CG GLU A 46 5.538 -15.561 12.380 1.00 0.00 C ATOM 716 CD GLU A 46 4.496 -16.369 13.130 1.00 0.00 C ATOM 717 OE1 GLU A 46 3.478 -15.780 13.549 1.00 0.00 O ATOM 718 OE2 GLU A 46 4.700 -17.589 13.299 1.00 0.00 O ATOM 0 H GLU A 46 6.560 -15.064 9.978 1.00 0.00 H new ATOM 0 HA GLU A 46 5.508 -12.617 10.537 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.361 -13.776 12.444 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.270 -14.642 10.923 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.006 -16.191 11.624 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.324 -15.257 13.072 1.00 0.00 H new ATOM 725 N LYS A 47 7.846 -13.402 12.699 1.00 0.00 N ATOM 726 CA LYS A 47 8.687 -12.876 13.767 1.00 0.00 C ATOM 727 C LYS A 47 8.969 -11.391 13.556 1.00 0.00 C ATOM 728 O LYS A 47 9.042 -10.623 14.515 1.00 0.00 O ATOM 729 CB LYS A 47 10.005 -13.651 13.834 1.00 0.00 C ATOM 730 CG LYS A 47 9.865 -15.037 14.440 1.00 0.00 C ATOM 731 CD LYS A 47 11.180 -15.526 15.023 1.00 0.00 C ATOM 732 CE LYS A 47 11.052 -16.934 15.585 1.00 0.00 C ATOM 733 NZ LYS A 47 12.167 -17.264 16.515 1.00 0.00 N ATOM 0 H LYS A 47 8.131 -14.317 12.350 1.00 0.00 H new ATOM 0 HA LYS A 47 8.153 -12.996 14.709 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.414 -13.743 12.828 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.724 -13.078 14.420 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.104 -15.019 15.221 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.522 -15.736 13.677 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.950 -15.510 14.251 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.505 -14.847 15.811 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.101 -17.031 16.109 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.038 -17.652 14.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.043 -18.231 16.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.073 -17.197 16.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.165 -16.595 17.311 1.00 0.00 H new ATOM 747 N GLU A 48 9.124 -10.996 12.297 1.00 0.00 N ATOM 748 CA GLU A 48 9.396 -9.603 11.963 1.00 0.00 C ATOM 749 C GLU A 48 10.673 -9.119 12.645 1.00 0.00 C ATOM 750 O GLU A 48 10.745 -7.984 13.116 1.00 0.00 O ATOM 751 CB GLU A 48 8.218 -8.717 12.373 1.00 0.00 C ATOM 752 CG GLU A 48 7.142 -8.603 11.307 1.00 0.00 C ATOM 753 CD GLU A 48 6.027 -7.654 11.702 1.00 0.00 C ATOM 754 OE1 GLU A 48 5.101 -8.092 12.416 1.00 0.00 O ATOM 755 OE2 GLU A 48 6.081 -6.474 11.298 1.00 0.00 O ATOM 0 H GLU A 48 9.066 -11.620 11.492 1.00 0.00 H new ATOM 0 HA GLU A 48 9.533 -9.535 10.884 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.774 -9.117 13.284 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.589 -7.720 12.610 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.593 -8.260 10.376 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.722 -9.590 11.113 1.00 0.00 H new ATOM 762 N GLU A 49 11.676 -9.989 12.695 1.00 0.00 N ATOM 763 CA GLU A 49 12.949 -9.651 13.321 1.00 0.00 C ATOM 764 C GLU A 49 13.517 -8.360 12.738 1.00 0.00 C ATOM 765 O GLU A 49 13.939 -7.468 13.473 1.00 0.00 O ATOM 766 CB GLU A 49 13.953 -10.792 13.137 1.00 0.00 C ATOM 767 CG GLU A 49 14.025 -11.314 11.712 1.00 0.00 C ATOM 768 CD GLU A 49 14.994 -12.471 11.563 1.00 0.00 C ATOM 769 OE1 GLU A 49 14.904 -13.427 12.361 1.00 0.00 O ATOM 770 OE2 GLU A 49 15.843 -12.419 10.648 1.00 0.00 O ATOM 0 H GLU A 49 11.632 -10.933 12.310 1.00 0.00 H new ATOM 0 HA GLU A 49 12.772 -9.501 14.386 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.942 -10.447 13.439 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.684 -11.612 13.803 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.032 -11.633 11.395 1.00 0.00 H new ATOM 0 HG3 GLU A 49 14.326 -10.504 11.047 1.00 0.00 H new ATOM 777 N SER A 50 13.524 -8.270 11.412 1.00 0.00 N ATOM 778 CA SER A 50 14.043 -7.091 10.729 1.00 0.00 C ATOM 779 C SER A 50 13.363 -6.904 9.376 1.00 0.00 C ATOM 780 O SER A 50 12.776 -7.838 8.829 1.00 0.00 O ATOM 781 CB SER A 50 15.556 -7.211 10.539 1.00 0.00 C ATOM 782 OG SER A 50 16.249 -6.838 11.718 1.00 0.00 O ATOM 0 H SER A 50 13.176 -8.999 10.789 1.00 0.00 H new ATOM 0 HA SER A 50 13.829 -6.219 11.348 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.812 -8.236 10.272 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.873 -6.577 9.711 1.00 0.00 H new ATOM 0 HG SER A 50 15.653 -6.930 12.491 1.00 0.00 H new ATOM 788 N ILE A 51 13.448 -5.690 8.841 1.00 0.00 N ATOM 789 CA ILE A 51 12.842 -5.380 7.552 1.00 0.00 C ATOM 790 C ILE A 51 13.848 -5.544 6.418 1.00 0.00 C ATOM 791 O ILE A 51 14.953 -5.001 6.470 1.00 0.00 O ATOM 792 CB ILE A 51 12.283 -3.945 7.524 1.00 0.00 C ATOM 793 CG1 ILE A 51 11.204 -3.773 8.594 1.00 0.00 C ATOM 794 CG2 ILE A 51 11.726 -3.621 6.146 1.00 0.00 C ATOM 795 CD1 ILE A 51 10.871 -2.328 8.891 1.00 0.00 C ATOM 0 H ILE A 51 13.930 -4.906 9.280 1.00 0.00 H new ATOM 0 HA ILE A 51 12.022 -6.084 7.411 1.00 0.00 H new ATOM 0 HB ILE A 51 13.095 -3.251 7.739 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.299 -4.287 8.271 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.535 -4.257 9.513 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.335 -2.604 6.142 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.519 -3.708 5.403 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.925 -4.319 5.904 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.099 -2.283 9.659 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.765 -1.814 9.245 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.509 -1.844 7.984 1.00 0.00 H new ATOM 807 N LEU A 52 13.459 -6.295 5.394 1.00 0.00 N ATOM 808 CA LEU A 52 14.327 -6.530 4.244 1.00 0.00 C ATOM 809 C LEU A 52 14.132 -5.449 3.186 1.00 0.00 C ATOM 810 O LEU A 52 15.099 -4.880 2.680 1.00 0.00 O ATOM 811 CB LEU A 52 14.045 -7.907 3.641 1.00 0.00 C ATOM 812 CG LEU A 52 14.200 -9.098 4.587 1.00 0.00 C ATOM 813 CD1 LEU A 52 13.340 -10.264 4.122 1.00 0.00 C ATOM 814 CD2 LEU A 52 15.660 -9.516 4.684 1.00 0.00 C ATOM 0 H LEU A 52 12.549 -6.752 5.336 1.00 0.00 H new ATOM 0 HA LEU A 52 15.361 -6.495 4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 52 13.027 -7.909 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.713 -8.053 2.792 1.00 0.00 H new ATOM 0 HG LEU A 52 13.863 -8.796 5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.463 -11.103 4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.293 -9.960 4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.647 -10.566 3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.751 -10.365 5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.024 -9.799 3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 52 16.252 -8.684 5.064 1.00 0.00 H new ATOM 826 N GLY A 53 12.875 -5.169 2.857 1.00 0.00 N ATOM 827 CA GLY A 53 12.577 -4.156 1.862 1.00 0.00 C ATOM 828 C GLY A 53 11.151 -3.649 1.959 1.00 0.00 C ATOM 829 O GLY A 53 10.255 -4.376 2.390 1.00 0.00 O ATOM 0 H GLY A 53 12.058 -5.626 3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.266 -3.320 1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.746 -4.568 0.867 1.00 0.00 H new ATOM 833 N SER A 54 10.940 -2.399 1.560 1.00 0.00 N ATOM 834 CA SER A 54 9.614 -1.794 1.610 1.00 0.00 C ATOM 835 C SER A 54 9.059 -1.587 0.204 1.00 0.00 C ATOM 836 O SER A 54 9.810 -1.358 -0.744 1.00 0.00 O ATOM 837 CB SER A 54 9.668 -0.457 2.352 1.00 0.00 C ATOM 838 OG SER A 54 8.443 0.245 2.227 1.00 0.00 O ATOM 0 H SER A 54 11.670 -1.785 1.198 1.00 0.00 H new ATOM 0 HA SER A 54 8.951 -2.472 2.147 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.885 -0.631 3.406 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.481 0.150 1.955 1.00 0.00 H new ATOM 0 HG SER A 54 8.614 1.209 2.260 1.00 0.00 H new ATOM 844 N ILE A 55 7.739 -1.668 0.079 1.00 0.00 N ATOM 845 CA ILE A 55 7.082 -1.489 -1.210 1.00 0.00 C ATOM 846 C ILE A 55 6.142 -0.288 -1.185 1.00 0.00 C ATOM 847 O ILE A 55 5.168 -0.246 -0.434 1.00 0.00 O ATOM 848 CB ILE A 55 6.284 -2.742 -1.615 1.00 0.00 C ATOM 849 CG1 ILE A 55 7.208 -3.960 -1.689 1.00 0.00 C ATOM 850 CG2 ILE A 55 5.587 -2.519 -2.948 1.00 0.00 C ATOM 851 CD1 ILE A 55 6.492 -5.275 -1.479 1.00 0.00 C ATOM 0 H ILE A 55 7.103 -1.856 0.854 1.00 0.00 H new ATOM 0 HA ILE A 55 7.869 -1.317 -1.944 1.00 0.00 H new ATOM 0 HB ILE A 55 5.524 -2.931 -0.857 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.699 -3.974 -2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.991 -3.858 -0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.027 -3.414 -3.220 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.903 -1.675 -2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.331 -2.308 -3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.208 -6.094 -1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.023 -5.281 -0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.727 -5.399 -2.246 1.00 0.00 H new ATOM 863 N PRO A 56 6.438 0.713 -2.028 1.00 0.00 N ATOM 864 CA PRO A 56 5.630 1.932 -2.124 1.00 0.00 C ATOM 865 C PRO A 56 4.265 1.675 -2.753 1.00 0.00 C ATOM 866 O PRO A 56 4.158 0.993 -3.773 1.00 0.00 O ATOM 867 CB PRO A 56 6.470 2.844 -3.022 1.00 0.00 C ATOM 868 CG PRO A 56 7.300 1.913 -3.837 1.00 0.00 C ATOM 869 CD PRO A 56 7.584 0.730 -2.953 1.00 0.00 C ATOM 0 HA PRO A 56 5.415 2.357 -1.144 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.838 3.468 -3.654 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.093 3.516 -2.432 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.771 1.608 -4.740 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.225 2.393 -4.156 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.651 -0.194 -3.527 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.528 0.843 -2.421 1.00 0.00 H new ATOM 877 N LEU A 57 3.223 2.225 -2.139 1.00 0.00 N ATOM 878 CA LEU A 57 1.863 2.056 -2.640 1.00 0.00 C ATOM 879 C LEU A 57 1.292 3.385 -3.123 1.00 0.00 C ATOM 880 O LEU A 57 0.457 3.422 -4.028 1.00 0.00 O ATOM 881 CB LEU A 57 0.967 1.469 -1.549 1.00 0.00 C ATOM 882 CG LEU A 57 1.127 -0.029 -1.283 1.00 0.00 C ATOM 883 CD1 LEU A 57 0.313 -0.444 -0.067 1.00 0.00 C ATOM 884 CD2 LEU A 57 0.712 -0.835 -2.505 1.00 0.00 C ATOM 0 H LEU A 57 3.294 2.792 -1.294 1.00 0.00 H new ATOM 0 HA LEU A 57 1.895 1.368 -3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.161 2.005 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.072 1.661 -1.817 1.00 0.00 H new ATOM 0 HG LEU A 57 2.178 -0.232 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.439 -1.513 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.657 0.109 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.740 -0.226 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.832 -1.898 -2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.332 -0.627 -2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.338 -0.558 -3.353 1.00 0.00 H new ATOM 896 N LEU A 58 1.748 4.475 -2.516 1.00 0.00 N ATOM 897 CA LEU A 58 1.284 5.808 -2.886 1.00 0.00 C ATOM 898 C LEU A 58 1.063 5.909 -4.392 1.00 0.00 C ATOM 899 O LEU A 58 2.016 6.013 -5.163 1.00 0.00 O ATOM 900 CB LEU A 58 2.294 6.864 -2.435 1.00 0.00 C ATOM 901 CG LEU A 58 1.793 8.309 -2.422 1.00 0.00 C ATOM 902 CD1 LEU A 58 0.743 8.500 -1.339 1.00 0.00 C ATOM 903 CD2 LEU A 58 2.953 9.273 -2.218 1.00 0.00 C ATOM 0 H LEU A 58 2.439 4.462 -1.765 1.00 0.00 H new ATOM 0 HA LEU A 58 0.333 5.987 -2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.633 6.609 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.164 6.808 -3.089 1.00 0.00 H new ATOM 0 HG LEU A 58 1.333 8.523 -3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.398 9.534 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.100 7.835 -1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.177 8.268 -0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.579 10.297 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.441 9.059 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.671 9.155 -3.029 1.00 0.00 H new ATOM 915 N SER A 59 -0.201 5.880 -4.802 1.00 0.00 N ATOM 916 CA SER A 59 -0.547 5.967 -6.216 1.00 0.00 C ATOM 917 C SER A 59 -0.247 4.653 -6.931 1.00 0.00 C ATOM 918 O SER A 59 0.474 4.626 -7.929 1.00 0.00 O ATOM 919 CB SER A 59 0.222 7.110 -6.882 1.00 0.00 C ATOM 920 OG SER A 59 -0.399 7.506 -8.092 1.00 0.00 O ATOM 0 H SER A 59 -1.002 5.797 -4.176 1.00 0.00 H new ATOM 0 HA SER A 59 -1.616 6.166 -6.291 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.276 7.960 -6.202 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.246 6.795 -7.081 1.00 0.00 H new ATOM 0 HG SER A 59 0.111 8.238 -8.497 1.00 0.00 H new ATOM 926 N PHE A 60 -0.807 3.564 -6.413 1.00 0.00 N ATOM 927 CA PHE A 60 -0.599 2.245 -7.000 1.00 0.00 C ATOM 928 C PHE A 60 -1.930 1.606 -7.384 1.00 0.00 C ATOM 929 O PHE A 60 -2.940 1.791 -6.704 1.00 0.00 O ATOM 930 CB PHE A 60 0.150 1.340 -6.020 1.00 0.00 C ATOM 931 CG PHE A 60 1.643 1.496 -6.081 1.00 0.00 C ATOM 932 CD1 PHE A 60 2.225 2.752 -6.005 1.00 0.00 C ATOM 933 CD2 PHE A 60 2.464 0.388 -6.214 1.00 0.00 C ATOM 934 CE1 PHE A 60 3.598 2.898 -6.062 1.00 0.00 C ATOM 935 CE2 PHE A 60 3.838 0.529 -6.271 1.00 0.00 C ATOM 936 CZ PHE A 60 4.405 1.785 -6.194 1.00 0.00 C ATOM 0 H PHE A 60 -1.408 3.569 -5.589 1.00 0.00 H new ATOM 0 HA PHE A 60 0.000 2.366 -7.902 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.189 1.556 -5.007 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.108 0.301 -6.227 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.599 3.626 -5.900 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.026 -0.597 -6.274 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.040 3.882 -6.003 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.467 -0.343 -6.376 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.478 1.897 -6.237 1.00 0.00 H new ATOM 946 N ARG A 61 -1.924 0.853 -8.480 1.00 0.00 N ATOM 947 CA ARG A 61 -3.130 0.188 -8.957 1.00 0.00 C ATOM 948 C ARG A 61 -3.189 -1.253 -8.458 1.00 0.00 C ATOM 949 O ARG A 61 -2.593 -2.152 -9.053 1.00 0.00 O ATOM 950 CB ARG A 61 -3.182 0.213 -10.485 1.00 0.00 C ATOM 951 CG ARG A 61 -4.495 -0.293 -11.059 1.00 0.00 C ATOM 952 CD ARG A 61 -4.521 -0.181 -12.575 1.00 0.00 C ATOM 953 NE ARG A 61 -4.733 1.194 -13.019 1.00 0.00 N ATOM 954 CZ ARG A 61 -5.051 1.523 -14.265 1.00 0.00 C ATOM 955 NH1 ARG A 61 -5.195 0.581 -15.187 1.00 0.00 N ATOM 956 NH2 ARG A 61 -5.228 2.797 -14.592 1.00 0.00 N ATOM 0 H ARG A 61 -1.097 0.689 -9.054 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.992 0.727 -8.563 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.014 1.234 -10.829 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.366 -0.394 -10.878 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.644 -1.333 -10.767 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.322 0.278 -10.637 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.580 -0.552 -12.982 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.313 -0.816 -12.972 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.631 1.943 -12.334 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.061 -0.399 -14.940 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.439 0.837 -16.144 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.120 3.525 -13.885 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.472 3.048 -15.550 1.00 0.00 H new ATOM 970 N VAL A 62 -3.911 -1.466 -7.363 1.00 0.00 N ATOM 971 CA VAL A 62 -4.049 -2.798 -6.785 1.00 0.00 C ATOM 972 C VAL A 62 -5.364 -3.445 -7.203 1.00 0.00 C ATOM 973 O VAL A 62 -6.435 -2.864 -7.034 1.00 0.00 O ATOM 974 CB VAL A 62 -3.978 -2.752 -5.247 1.00 0.00 C ATOM 975 CG1 VAL A 62 -4.031 -4.157 -4.668 1.00 0.00 C ATOM 976 CG2 VAL A 62 -2.720 -2.027 -4.793 1.00 0.00 C ATOM 0 H VAL A 62 -4.410 -0.733 -6.858 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.218 -3.394 -7.162 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.842 -2.199 -4.877 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.980 -4.105 -3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.963 -4.638 -4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.188 -4.737 -5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.686 -2.004 -3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.842 -2.550 -5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.729 -1.007 -5.177 1.00 0.00 H new ATOM 986 N ALA A 63 -5.275 -4.654 -7.749 1.00 0.00 N ATOM 987 CA ALA A 63 -6.458 -5.382 -8.190 1.00 0.00 C ATOM 988 C ALA A 63 -6.093 -6.783 -8.671 1.00 0.00 C ATOM 989 O ALA A 63 -4.960 -7.032 -9.081 1.00 0.00 O ATOM 990 CB ALA A 63 -7.172 -4.613 -9.291 1.00 0.00 C ATOM 0 H ALA A 63 -4.396 -5.149 -7.896 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.131 -5.482 -7.338 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.053 -5.169 -9.610 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.476 -3.636 -8.914 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.499 -4.482 -10.138 1.00 0.00 H new ATOM 996 N ALA A 64 -7.060 -7.693 -8.617 1.00 0.00 N ATOM 997 CA ALA A 64 -6.840 -9.067 -9.049 1.00 0.00 C ATOM 998 C ALA A 64 -6.052 -9.113 -10.354 1.00 0.00 C ATOM 999 O ALA A 64 -6.312 -8.341 -11.276 1.00 0.00 O ATOM 1000 CB ALA A 64 -8.170 -9.790 -9.208 1.00 0.00 C ATOM 0 H ALA A 64 -8.003 -7.503 -8.278 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.253 -9.573 -8.282 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.990 -10.815 -9.531 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.697 -9.797 -8.254 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.777 -9.276 -9.953 1.00 0.00 H new ATOM 1006 N VAL A 65 -5.086 -10.024 -10.425 1.00 0.00 N ATOM 1007 CA VAL A 65 -4.260 -10.171 -11.617 1.00 0.00 C ATOM 1008 C VAL A 65 -5.110 -10.509 -12.836 1.00 0.00 C ATOM 1009 O VAL A 65 -6.337 -10.551 -12.757 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.193 -11.266 -11.429 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -2.266 -10.916 -10.275 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -3.852 -12.618 -11.203 1.00 0.00 C ATOM 0 H VAL A 65 -4.857 -10.671 -9.671 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.763 -9.214 -11.778 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.595 -11.326 -12.338 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.519 -11.701 -10.157 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.768 -9.969 -10.483 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.846 -10.827 -9.357 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.084 -13.380 -11.072 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.475 -12.574 -10.310 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.470 -12.870 -12.065 1.00 0.00 H new ATOM 1022 N GLN A 66 -4.448 -10.750 -13.964 1.00 0.00 N ATOM 1023 CA GLN A 66 -5.144 -11.085 -15.201 1.00 0.00 C ATOM 1024 C GLN A 66 -4.476 -12.264 -15.900 1.00 0.00 C ATOM 1025 O GLN A 66 -3.319 -12.596 -15.640 1.00 0.00 O ATOM 1026 CB GLN A 66 -5.177 -9.874 -16.136 1.00 0.00 C ATOM 1027 CG GLN A 66 -6.396 -8.987 -15.939 1.00 0.00 C ATOM 1028 CD GLN A 66 -6.459 -7.852 -16.942 1.00 0.00 C ATOM 1029 OE1 GLN A 66 -5.954 -7.967 -18.060 1.00 0.00 O ATOM 1030 NE2 GLN A 66 -7.082 -6.748 -16.549 1.00 0.00 N ATOM 0 H GLN A 66 -3.432 -10.719 -14.046 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.166 -11.368 -14.948 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.277 -9.280 -15.980 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.154 -10.222 -17.169 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.299 -9.592 -16.023 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.382 -8.575 -14.930 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -7.486 -6.696 -15.614 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -7.157 -5.952 -17.182 1.00 0.00 H new ATOM 1039 N PRO A 67 -5.219 -12.913 -16.808 1.00 0.00 N ATOM 1040 CA PRO A 67 -4.718 -14.065 -17.563 1.00 0.00 C ATOM 1041 C PRO A 67 -3.647 -13.674 -18.575 1.00 0.00 C ATOM 1042 O PRO A 67 -3.128 -14.521 -19.303 1.00 0.00 O ATOM 1043 CB PRO A 67 -5.965 -14.589 -18.280 1.00 0.00 C ATOM 1044 CG PRO A 67 -6.862 -13.404 -18.394 1.00 0.00 C ATOM 1045 CD PRO A 67 -6.605 -12.571 -17.168 1.00 0.00 C ATOM 0 HA PRO A 67 -4.241 -14.800 -16.915 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.717 -14.994 -19.261 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.439 -15.391 -17.715 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.649 -12.839 -19.301 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.907 -13.709 -18.447 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.715 -11.507 -17.375 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.300 -12.813 -16.364 1.00 0.00 H new ATOM 1053 N SER A 68 -3.320 -12.386 -18.616 1.00 0.00 N ATOM 1054 CA SER A 68 -2.312 -11.883 -19.542 1.00 0.00 C ATOM 1055 C SER A 68 -0.967 -11.715 -18.842 1.00 0.00 C ATOM 1056 O SER A 68 0.076 -11.633 -19.490 1.00 0.00 O ATOM 1057 CB SER A 68 -2.760 -10.547 -20.138 1.00 0.00 C ATOM 1058 OG SER A 68 -3.604 -10.746 -21.259 1.00 0.00 O ATOM 0 H SER A 68 -3.738 -11.672 -18.019 1.00 0.00 H new ATOM 0 HA SER A 68 -2.195 -12.611 -20.345 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.287 -9.966 -19.381 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.887 -9.967 -20.435 1.00 0.00 H new ATOM 0 HG SER A 68 -3.878 -9.877 -21.621 1.00 0.00 H new ATOM 1144 N LYS A 74 -4.209 -18.925 -8.295 1.00 0.00 N ATOM 1145 CA LYS A 74 -5.508 -18.466 -7.815 1.00 0.00 C ATOM 1146 C LYS A 74 -5.347 -17.536 -6.616 1.00 0.00 C ATOM 1147 O LYS A 74 -4.384 -17.646 -5.857 1.00 0.00 O ATOM 1148 CB LYS A 74 -6.384 -19.661 -7.433 1.00 0.00 C ATOM 1149 CG LYS A 74 -7.137 -20.263 -8.607 1.00 0.00 C ATOM 1150 CD LYS A 74 -8.501 -19.618 -8.784 1.00 0.00 C ATOM 1151 CE LYS A 74 -8.428 -18.399 -9.691 1.00 0.00 C ATOM 1152 NZ LYS A 74 -7.752 -18.708 -10.981 1.00 0.00 N ATOM 0 HA LYS A 74 -5.991 -17.912 -8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.758 -20.430 -6.981 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.101 -19.347 -6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.553 -20.137 -9.518 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.258 -21.335 -8.452 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.196 -20.345 -9.205 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.895 -19.326 -7.811 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.435 -18.032 -9.888 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.891 -17.599 -9.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.075 -18.041 -11.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.722 -18.620 -10.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.985 -19.679 -11.271 1.00 0.00 H new ATOM 1166 N HIS A 75 -6.298 -16.622 -6.451 1.00 0.00 N ATOM 1167 CA HIS A 75 -6.263 -15.674 -5.343 1.00 0.00 C ATOM 1168 C HIS A 75 -4.995 -14.827 -5.393 1.00 0.00 C ATOM 1169 O HIS A 75 -4.323 -14.634 -4.379 1.00 0.00 O ATOM 1170 CB HIS A 75 -6.343 -16.415 -4.008 1.00 0.00 C ATOM 1171 CG HIS A 75 -7.196 -17.645 -4.055 1.00 0.00 C ATOM 1172 ND1 HIS A 75 -8.401 -17.699 -4.723 1.00 0.00 N ATOM 1173 CD2 HIS A 75 -7.011 -18.872 -3.515 1.00 0.00 C ATOM 1174 CE1 HIS A 75 -8.922 -18.906 -4.589 1.00 0.00 C ATOM 1175 NE2 HIS A 75 -8.098 -19.637 -3.861 1.00 0.00 N ATOM 0 H HIS A 75 -7.102 -16.518 -7.070 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.125 -15.013 -5.435 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.336 -16.693 -3.695 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -6.737 -15.739 -3.250 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.166 -19.190 -2.922 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.862 -19.238 -5.004 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.245 -20.612 -3.598 1.00 0.00 H new ATOM 1184 N THR A 76 -4.672 -14.322 -6.580 1.00 0.00 N ATOM 1185 CA THR A 76 -3.485 -13.497 -6.763 1.00 0.00 C ATOM 1186 C THR A 76 -3.849 -12.123 -7.313 1.00 0.00 C ATOM 1187 O THR A 76 -4.767 -11.991 -8.123 1.00 0.00 O ATOM 1188 CB THR A 76 -2.476 -14.168 -7.714 1.00 0.00 C ATOM 1189 OG1 THR A 76 -2.260 -15.527 -7.320 1.00 0.00 O ATOM 1190 CG2 THR A 76 -1.152 -13.418 -7.715 1.00 0.00 C ATOM 0 H THR A 76 -5.217 -14.471 -7.429 1.00 0.00 H new ATOM 0 HA THR A 76 -3.026 -13.381 -5.781 1.00 0.00 H new ATOM 0 HB THR A 76 -2.890 -14.144 -8.722 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.619 -15.947 -7.931 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.455 -13.910 -8.394 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.315 -12.392 -8.044 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.735 -13.414 -6.708 1.00 0.00 H new ATOM 1198 N PHE A 77 -3.124 -11.102 -6.869 1.00 0.00 N ATOM 1199 CA PHE A 77 -3.371 -9.737 -7.318 1.00 0.00 C ATOM 1200 C PHE A 77 -2.068 -9.050 -7.715 1.00 0.00 C ATOM 1201 O PHE A 77 -0.983 -9.468 -7.308 1.00 0.00 O ATOM 1202 CB PHE A 77 -4.070 -8.935 -6.218 1.00 0.00 C ATOM 1203 CG PHE A 77 -3.415 -9.066 -4.873 1.00 0.00 C ATOM 1204 CD1 PHE A 77 -3.730 -10.123 -4.034 1.00 0.00 C ATOM 1205 CD2 PHE A 77 -2.484 -8.132 -4.446 1.00 0.00 C ATOM 1206 CE1 PHE A 77 -3.129 -10.248 -2.796 1.00 0.00 C ATOM 1207 CE2 PHE A 77 -1.880 -8.252 -3.209 1.00 0.00 C ATOM 1208 CZ PHE A 77 -2.203 -9.310 -2.382 1.00 0.00 C ATOM 0 H PHE A 77 -2.361 -11.194 -6.199 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.018 -9.781 -8.194 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.090 -7.883 -6.503 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.106 -9.264 -6.142 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.454 -10.858 -4.352 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.228 -7.301 -5.087 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.383 -11.078 -2.153 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.155 -7.518 -2.889 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.733 -9.404 -1.414 1.00 0.00 H new ATOM 1218 N LYS A 78 -2.182 -7.993 -8.512 1.00 0.00 N ATOM 1219 CA LYS A 78 -1.014 -7.246 -8.964 1.00 0.00 C ATOM 1220 C LYS A 78 -1.055 -5.810 -8.451 1.00 0.00 C ATOM 1221 O LYS A 78 -2.127 -5.226 -8.297 1.00 0.00 O ATOM 1222 CB LYS A 78 -0.941 -7.250 -10.493 1.00 0.00 C ATOM 1223 CG LYS A 78 -2.132 -6.584 -11.160 1.00 0.00 C ATOM 1224 CD LYS A 78 -1.917 -6.428 -12.657 1.00 0.00 C ATOM 1225 CE LYS A 78 -2.951 -5.499 -13.274 1.00 0.00 C ATOM 1226 NZ LYS A 78 -2.771 -5.370 -14.747 1.00 0.00 N ATOM 0 H LYS A 78 -3.072 -7.634 -8.858 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.125 -7.732 -8.562 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.029 -6.742 -10.806 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.868 -8.280 -10.842 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.029 -7.176 -10.980 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.301 -5.605 -10.712 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.917 -6.036 -12.843 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.971 -7.405 -13.137 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.951 -5.877 -13.062 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.877 -4.515 -12.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.495 -4.729 -15.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.826 -4.986 -14.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.867 -6.305 -15.192 1.00 0.00 H new ATOM 1240 N ALA A 79 0.120 -5.247 -8.189 1.00 0.00 N ATOM 1241 CA ALA A 79 0.219 -3.878 -7.697 1.00 0.00 C ATOM 1242 C ALA A 79 1.281 -3.095 -8.460 1.00 0.00 C ATOM 1243 O ALA A 79 2.478 -3.295 -8.255 1.00 0.00 O ATOM 1244 CB ALA A 79 0.526 -3.874 -6.206 1.00 0.00 C ATOM 0 H ALA A 79 1.017 -5.718 -8.309 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.741 -3.389 -7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.597 -2.846 -5.852 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.271 -4.388 -5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.472 -4.385 -6.028 1.00 0.00 H new ATOM 1250 N GLU A 80 0.835 -2.205 -9.341 1.00 0.00 N ATOM 1251 CA GLU A 80 1.749 -1.394 -10.136 1.00 0.00 C ATOM 1252 C GLU A 80 1.203 0.019 -10.320 1.00 0.00 C ATOM 1253 O GLU A 80 0.036 0.205 -10.667 1.00 0.00 O ATOM 1254 CB GLU A 80 1.987 -2.043 -11.501 1.00 0.00 C ATOM 1255 CG GLU A 80 0.872 -1.783 -12.500 1.00 0.00 C ATOM 1256 CD GLU A 80 0.759 -2.877 -13.545 1.00 0.00 C ATOM 1257 OE1 GLU A 80 0.286 -3.980 -13.200 1.00 0.00 O ATOM 1258 OE2 GLU A 80 1.145 -2.630 -14.707 1.00 0.00 O ATOM 0 H GLU A 80 -0.153 -2.028 -9.522 1.00 0.00 H new ATOM 0 HA GLU A 80 2.697 -1.332 -9.602 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.926 -1.672 -11.912 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.101 -3.119 -11.368 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.075 -1.695 -11.967 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.049 -0.829 -12.996 1.00 0.00 H new ATOM 1265 N HIS A 81 2.055 1.012 -10.085 1.00 0.00 N ATOM 1266 CA HIS A 81 1.658 2.409 -10.225 1.00 0.00 C ATOM 1267 C HIS A 81 1.554 2.799 -11.696 1.00 0.00 C ATOM 1268 O HIS A 81 0.457 2.972 -12.226 1.00 0.00 O ATOM 1269 CB HIS A 81 2.660 3.319 -9.514 1.00 0.00 C ATOM 1270 CG HIS A 81 2.689 4.716 -10.054 1.00 0.00 C ATOM 1271 ND1 HIS A 81 3.858 5.411 -10.280 1.00 0.00 N ATOM 1272 CD2 HIS A 81 1.683 5.546 -10.415 1.00 0.00 C ATOM 1273 CE1 HIS A 81 3.570 6.610 -10.755 1.00 0.00 C ATOM 1274 NE2 HIS A 81 2.256 6.717 -10.847 1.00 0.00 N ATOM 0 H HIS A 81 3.024 0.876 -9.797 1.00 0.00 H new ATOM 0 HA HIS A 81 0.677 2.531 -9.765 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.417 3.354 -8.452 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.656 2.885 -9.599 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.626 5.328 -10.371 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.286 7.373 -11.022 1.00 0.00 H new ATOM 0 HE2 HIS A 81 1.750 7.536 -11.184 1.00 0.00 H new ATOM 1316 N ARG A 85 6.871 -0.678 -11.364 1.00 0.00 N ATOM 1317 CA ARG A 85 7.053 -2.072 -10.978 1.00 0.00 C ATOM 1318 C ARG A 85 5.716 -2.717 -10.625 1.00 0.00 C ATOM 1319 O ARG A 85 4.852 -2.088 -10.013 1.00 0.00 O ATOM 1320 CB ARG A 85 8.009 -2.173 -9.788 1.00 0.00 C ATOM 1321 CG ARG A 85 8.301 -3.602 -9.360 1.00 0.00 C ATOM 1322 CD ARG A 85 9.363 -3.653 -8.274 1.00 0.00 C ATOM 1323 NE ARG A 85 10.710 -3.749 -8.829 1.00 0.00 N ATOM 1324 CZ ARG A 85 11.804 -3.376 -8.174 1.00 0.00 C ATOM 1325 NH1 ARG A 85 11.710 -2.885 -6.946 1.00 0.00 N ATOM 1326 NH2 ARG A 85 12.995 -3.495 -8.747 1.00 0.00 N ATOM 0 HA ARG A 85 7.482 -2.605 -11.827 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.947 -1.681 -10.044 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.584 -1.630 -8.944 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.385 -4.068 -8.997 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.633 -4.180 -10.222 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.290 -2.760 -7.653 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.177 -4.509 -7.625 1.00 0.00 H new ATOM 0 HE ARG A 85 10.817 -4.123 -9.772 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.796 -2.793 -6.502 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.551 -2.599 -6.445 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.071 -3.873 -9.691 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.834 -3.208 -8.243 1.00 0.00 H new ATOM 1340 N THR A 86 5.551 -3.977 -11.016 1.00 0.00 N ATOM 1341 CA THR A 86 4.319 -4.707 -10.743 1.00 0.00 C ATOM 1342 C THR A 86 4.548 -5.803 -9.708 1.00 0.00 C ATOM 1343 O THR A 86 5.142 -6.839 -10.007 1.00 0.00 O ATOM 1344 CB THR A 86 3.746 -5.339 -12.025 1.00 0.00 C ATOM 1345 OG1 THR A 86 3.669 -4.357 -13.064 1.00 0.00 O ATOM 1346 CG2 THR A 86 2.364 -5.923 -11.769 1.00 0.00 C ATOM 0 H THR A 86 6.255 -4.513 -11.523 1.00 0.00 H new ATOM 0 HA THR A 86 3.603 -3.985 -10.351 1.00 0.00 H new ATOM 0 HB THR A 86 4.412 -6.144 -12.336 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.305 -4.768 -13.876 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.979 -6.364 -12.689 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.431 -6.691 -10.999 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.691 -5.133 -11.436 1.00 0.00 H new ATOM 1354 N TYR A 87 4.071 -5.568 -8.490 1.00 0.00 N ATOM 1355 CA TYR A 87 4.225 -6.535 -7.410 1.00 0.00 C ATOM 1356 C TYR A 87 3.118 -7.584 -7.456 1.00 0.00 C ATOM 1357 O TYR A 87 1.932 -7.254 -7.440 1.00 0.00 O ATOM 1358 CB TYR A 87 4.213 -5.824 -6.056 1.00 0.00 C ATOM 1359 CG TYR A 87 5.312 -4.797 -5.901 1.00 0.00 C ATOM 1360 CD1 TYR A 87 5.175 -3.519 -6.429 1.00 0.00 C ATOM 1361 CD2 TYR A 87 6.488 -5.105 -5.228 1.00 0.00 C ATOM 1362 CE1 TYR A 87 6.176 -2.578 -6.291 1.00 0.00 C ATOM 1363 CE2 TYR A 87 7.494 -4.169 -5.084 1.00 0.00 C ATOM 1364 CZ TYR A 87 7.334 -2.908 -5.617 1.00 0.00 C ATOM 1365 OH TYR A 87 8.334 -1.973 -5.477 1.00 0.00 O ATOM 0 H TYR A 87 3.575 -4.717 -8.227 1.00 0.00 H new ATOM 0 HA TYR A 87 5.183 -7.038 -7.541 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.248 -5.335 -5.921 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.307 -6.567 -5.264 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.270 -3.257 -6.957 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.618 -6.093 -4.811 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.053 -1.589 -6.708 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.401 -4.424 -4.556 1.00 0.00 H new ATOM 0 HH TYR A 87 9.080 -2.365 -4.977 1.00 0.00 H new ATOM 1375 N PHE A 88 3.515 -8.851 -7.513 1.00 0.00 N ATOM 1376 CA PHE A 88 2.558 -9.950 -7.562 1.00 0.00 C ATOM 1377 C PHE A 88 2.453 -10.641 -6.205 1.00 0.00 C ATOM 1378 O PHE A 88 3.463 -10.998 -5.597 1.00 0.00 O ATOM 1379 CB PHE A 88 2.969 -10.964 -8.632 1.00 0.00 C ATOM 1380 CG PHE A 88 2.715 -10.491 -10.035 1.00 0.00 C ATOM 1381 CD1 PHE A 88 1.421 -10.351 -10.509 1.00 0.00 C ATOM 1382 CD2 PHE A 88 3.771 -10.188 -10.879 1.00 0.00 C ATOM 1383 CE1 PHE A 88 1.184 -9.915 -11.799 1.00 0.00 C ATOM 1384 CE2 PHE A 88 3.540 -9.752 -12.170 1.00 0.00 C ATOM 1385 CZ PHE A 88 2.245 -9.616 -12.631 1.00 0.00 C ATOM 0 H PHE A 88 4.493 -9.142 -7.526 1.00 0.00 H new ATOM 0 HA PHE A 88 1.582 -9.538 -7.817 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.029 -11.189 -8.519 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.426 -11.895 -8.467 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.588 -10.585 -9.863 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.786 -10.294 -10.524 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.170 -9.808 -12.156 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.372 -9.518 -12.818 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.063 -9.277 -13.640 1.00 0.00 H new ATOM 1395 N PHE A 89 1.223 -10.824 -5.735 1.00 0.00 N ATOM 1396 CA PHE A 89 0.985 -11.470 -4.450 1.00 0.00 C ATOM 1397 C PHE A 89 -0.147 -12.488 -4.554 1.00 0.00 C ATOM 1398 O PHE A 89 -1.196 -12.209 -5.135 1.00 0.00 O ATOM 1399 CB PHE A 89 0.649 -10.424 -3.384 1.00 0.00 C ATOM 1400 CG PHE A 89 1.663 -9.320 -3.288 1.00 0.00 C ATOM 1401 CD1 PHE A 89 2.923 -9.562 -2.765 1.00 0.00 C ATOM 1402 CD2 PHE A 89 1.356 -8.040 -3.721 1.00 0.00 C ATOM 1403 CE1 PHE A 89 3.857 -8.547 -2.674 1.00 0.00 C ATOM 1404 CE2 PHE A 89 2.286 -7.021 -3.633 1.00 0.00 C ATOM 1405 CZ PHE A 89 3.538 -7.276 -3.110 1.00 0.00 C ATOM 0 H PHE A 89 0.377 -10.534 -6.225 1.00 0.00 H new ATOM 0 HA PHE A 89 1.896 -11.994 -4.161 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.327 -9.992 -3.605 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.567 -10.917 -2.415 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.178 -10.555 -2.425 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.378 -7.836 -4.132 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.835 -8.748 -2.262 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.034 -6.027 -3.973 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.267 -6.482 -3.042 1.00 0.00 H new ATOM 1415 N SER A 90 0.073 -13.669 -3.987 1.00 0.00 N ATOM 1416 CA SER A 90 -0.926 -14.731 -4.019 1.00 0.00 C ATOM 1417 C SER A 90 -1.393 -15.081 -2.610 1.00 0.00 C ATOM 1418 O SER A 90 -0.640 -15.644 -1.816 1.00 0.00 O ATOM 1419 CB SER A 90 -0.356 -15.975 -4.703 1.00 0.00 C ATOM 1420 OG SER A 90 -1.323 -17.009 -4.769 1.00 0.00 O ATOM 0 H SER A 90 0.934 -13.915 -3.500 1.00 0.00 H new ATOM 0 HA SER A 90 -1.784 -14.372 -4.588 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.022 -15.720 -5.709 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.519 -16.326 -4.156 1.00 0.00 H new ATOM 0 HG SER A 90 -1.924 -16.847 -5.526 1.00 0.00 H new ATOM 1426 N ALA A 91 -2.642 -14.741 -2.306 1.00 0.00 N ATOM 1427 CA ALA A 91 -3.211 -15.020 -0.993 1.00 0.00 C ATOM 1428 C ALA A 91 -3.530 -16.504 -0.837 1.00 0.00 C ATOM 1429 O ALA A 91 -4.067 -17.131 -1.749 1.00 0.00 O ATOM 1430 CB ALA A 91 -4.463 -14.184 -0.772 1.00 0.00 C ATOM 0 H ALA A 91 -3.278 -14.272 -2.951 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.470 -14.753 -0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.877 -14.402 0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.209 -13.126 -0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.201 -14.424 -1.538 1.00 0.00 H new ATOM 1436 N GLU A 92 -3.193 -17.057 0.324 1.00 0.00 N ATOM 1437 CA GLU A 92 -3.443 -18.468 0.597 1.00 0.00 C ATOM 1438 C GLU A 92 -4.909 -18.818 0.357 1.00 0.00 C ATOM 1439 O GLU A 92 -5.224 -19.868 -0.201 1.00 0.00 O ATOM 1440 CB GLU A 92 -3.055 -18.807 2.038 1.00 0.00 C ATOM 1441 CG GLU A 92 -1.589 -18.555 2.349 1.00 0.00 C ATOM 1442 CD GLU A 92 -1.058 -19.470 3.436 1.00 0.00 C ATOM 1443 OE1 GLU A 92 -1.002 -20.695 3.206 1.00 0.00 O ATOM 1444 OE2 GLU A 92 -0.698 -18.958 4.517 1.00 0.00 O ATOM 0 H GLU A 92 -2.747 -16.551 1.089 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.831 -19.058 -0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.669 -18.217 2.719 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.283 -19.855 2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.000 -18.694 1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.460 -17.518 2.657 1.00 0.00 H new ATOM 1451 N SER A 93 -5.800 -17.929 0.784 1.00 0.00 N ATOM 1452 CA SER A 93 -7.233 -18.145 0.621 1.00 0.00 C ATOM 1453 C SER A 93 -7.864 -17.014 -0.186 1.00 0.00 C ATOM 1454 O SER A 93 -7.339 -15.903 -0.263 1.00 0.00 O ATOM 1455 CB SER A 93 -7.913 -18.253 1.987 1.00 0.00 C ATOM 1456 OG SER A 93 -7.697 -19.528 2.565 1.00 0.00 O ATOM 0 H SER A 93 -5.555 -17.053 1.245 1.00 0.00 H new ATOM 0 HA SER A 93 -7.375 -19.079 0.078 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.527 -17.479 2.651 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.983 -18.076 1.879 1.00 0.00 H new ATOM 0 HG SER A 93 -8.140 -19.571 3.438 1.00 0.00 H new ATOM 1462 N PRO A 94 -9.019 -17.303 -0.804 1.00 0.00 N ATOM 1463 CA PRO A 94 -9.748 -16.324 -1.617 1.00 0.00 C ATOM 1464 C PRO A 94 -10.364 -15.213 -0.772 1.00 0.00 C ATOM 1465 O PRO A 94 -10.703 -14.148 -1.286 1.00 0.00 O ATOM 1466 CB PRO A 94 -10.844 -17.161 -2.281 1.00 0.00 C ATOM 1467 CG PRO A 94 -11.048 -18.316 -1.362 1.00 0.00 C ATOM 1468 CD PRO A 94 -9.703 -18.606 -0.757 1.00 0.00 C ATOM 0 HA PRO A 94 -9.095 -15.814 -2.325 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.762 -16.586 -2.404 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.541 -17.494 -3.274 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -11.780 -18.076 -0.590 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.428 -19.183 -1.903 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -9.793 -18.976 0.264 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -9.163 -19.364 -1.324 1.00 0.00 H new ATOM 1476 N GLU A 95 -10.504 -15.470 0.524 1.00 0.00 N ATOM 1477 CA GLU A 95 -11.079 -14.491 1.439 1.00 0.00 C ATOM 1478 C GLU A 95 -10.106 -13.342 1.689 1.00 0.00 C ATOM 1479 O GLU A 95 -10.512 -12.187 1.810 1.00 0.00 O ATOM 1480 CB GLU A 95 -11.451 -15.156 2.765 1.00 0.00 C ATOM 1481 CG GLU A 95 -10.267 -15.770 3.492 1.00 0.00 C ATOM 1482 CD GLU A 95 -10.663 -16.432 4.798 1.00 0.00 C ATOM 1483 OE1 GLU A 95 -11.647 -15.979 5.418 1.00 0.00 O ATOM 1484 OE2 GLU A 95 -9.987 -17.402 5.199 1.00 0.00 O ATOM 0 H GLU A 95 -10.227 -16.348 0.964 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.980 -14.087 0.978 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.921 -14.416 3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.193 -15.932 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.791 -16.507 2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.527 -14.995 3.692 1.00 0.00 H new ATOM 1491 N GLU A 96 -8.820 -13.670 1.765 1.00 0.00 N ATOM 1492 CA GLU A 96 -7.789 -12.667 2.002 1.00 0.00 C ATOM 1493 C GLU A 96 -7.488 -11.885 0.727 1.00 0.00 C ATOM 1494 O GLU A 96 -7.433 -10.655 0.740 1.00 0.00 O ATOM 1495 CB GLU A 96 -6.511 -13.329 2.522 1.00 0.00 C ATOM 1496 CG GLU A 96 -6.463 -13.456 4.035 1.00 0.00 C ATOM 1497 CD GLU A 96 -6.845 -12.169 4.741 1.00 0.00 C ATOM 1498 OE1 GLU A 96 -5.999 -11.254 4.806 1.00 0.00 O ATOM 1499 OE2 GLU A 96 -7.992 -12.079 5.228 1.00 0.00 O ATOM 0 H GLU A 96 -8.468 -14.622 1.666 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.161 -11.972 2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.420 -14.321 2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.650 -12.750 2.187 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.137 -14.253 4.351 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.458 -13.749 4.340 1.00 0.00 H new ATOM 1506 N GLN A 97 -7.293 -12.607 -0.371 1.00 0.00 N ATOM 1507 CA GLN A 97 -6.996 -11.981 -1.654 1.00 0.00 C ATOM 1508 C GLN A 97 -7.736 -10.655 -1.797 1.00 0.00 C ATOM 1509 O GLN A 97 -7.127 -9.620 -2.065 1.00 0.00 O ATOM 1510 CB GLN A 97 -7.377 -12.918 -2.803 1.00 0.00 C ATOM 1511 CG GLN A 97 -7.131 -12.322 -4.180 1.00 0.00 C ATOM 1512 CD GLN A 97 -8.095 -12.850 -5.224 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -9.059 -13.545 -4.901 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -7.840 -12.523 -6.485 1.00 0.00 N ATOM 0 H GLN A 97 -7.335 -13.626 -0.398 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.925 -11.784 -1.695 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.809 -13.844 -2.710 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.431 -13.181 -2.713 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.221 -11.237 -4.124 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.109 -12.542 -4.490 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.030 -11.945 -6.708 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.454 -12.850 -7.231 1.00 0.00 H new ATOM 1523 N GLU A 98 -9.053 -10.695 -1.618 1.00 0.00 N ATOM 1524 CA GLU A 98 -9.875 -9.496 -1.728 1.00 0.00 C ATOM 1525 C GLU A 98 -9.551 -8.510 -0.610 1.00 0.00 C ATOM 1526 O GLU A 98 -9.374 -7.316 -0.852 1.00 0.00 O ATOM 1527 CB GLU A 98 -11.359 -9.863 -1.686 1.00 0.00 C ATOM 1528 CG GLU A 98 -11.810 -10.714 -2.862 1.00 0.00 C ATOM 1529 CD GLU A 98 -13.304 -10.630 -3.104 1.00 0.00 C ATOM 1530 OE1 GLU A 98 -14.056 -11.367 -2.431 1.00 0.00 O ATOM 1531 OE2 GLU A 98 -13.723 -9.828 -3.965 1.00 0.00 O ATOM 0 H GLU A 98 -9.573 -11.544 -1.396 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.653 -9.020 -2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.566 -10.399 -0.760 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -11.950 -8.948 -1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.282 -10.395 -3.760 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.533 -11.753 -2.681 1.00 0.00 H new ATOM 1538 N ALA A 99 -9.477 -9.018 0.616 1.00 0.00 N ATOM 1539 CA ALA A 99 -9.174 -8.183 1.772 1.00 0.00 C ATOM 1540 C ALA A 99 -7.971 -7.286 1.501 1.00 0.00 C ATOM 1541 O ALA A 99 -8.004 -6.087 1.780 1.00 0.00 O ATOM 1542 CB ALA A 99 -8.923 -9.050 2.997 1.00 0.00 C ATOM 0 H ALA A 99 -9.623 -10.004 0.834 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.035 -7.543 1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.698 -8.414 3.853 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -9.811 -9.644 3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.080 -9.714 2.806 1.00 0.00 H new ATOM 1548 N TRP A 100 -6.911 -7.873 0.957 1.00 0.00 N ATOM 1549 CA TRP A 100 -5.697 -7.126 0.649 1.00 0.00 C ATOM 1550 C TRP A 100 -5.955 -6.094 -0.444 1.00 0.00 C ATOM 1551 O TRP A 100 -5.801 -4.893 -0.224 1.00 0.00 O ATOM 1552 CB TRP A 100 -4.583 -8.080 0.215 1.00 0.00 C ATOM 1553 CG TRP A 100 -3.913 -8.773 1.362 1.00 0.00 C ATOM 1554 CD1 TRP A 100 -4.179 -10.029 1.829 1.00 0.00 C ATOM 1555 CD2 TRP A 100 -2.869 -8.248 2.189 1.00 0.00 C ATOM 1556 NE1 TRP A 100 -3.362 -10.316 2.896 1.00 0.00 N ATOM 1557 CE2 TRP A 100 -2.549 -9.241 3.136 1.00 0.00 C ATOM 1558 CE3 TRP A 100 -2.171 -7.038 2.220 1.00 0.00 C ATOM 1559 CZ2 TRP A 100 -1.563 -9.057 4.102 1.00 0.00 C ATOM 1560 CZ3 TRP A 100 -1.194 -6.857 3.180 1.00 0.00 C ATOM 1561 CH2 TRP A 100 -0.896 -7.862 4.109 1.00 0.00 C ATOM 0 H TRP A 100 -6.868 -8.864 0.720 1.00 0.00 H new ATOM 0 HA TRP A 100 -5.384 -6.601 1.551 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.998 -8.829 -0.460 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.836 -7.522 -0.349 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -4.922 -10.698 1.420 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.361 -11.189 3.424 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -2.391 -6.258 1.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -1.333 -9.830 4.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.651 -5.924 3.215 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.125 -7.691 4.845 1.00 0.00 H new ATOM 1572 N ILE A 101 -6.349 -6.571 -1.620 1.00 0.00 N ATOM 1573 CA ILE A 101 -6.629 -5.688 -2.746 1.00 0.00 C ATOM 1574 C ILE A 101 -7.274 -4.388 -2.278 1.00 0.00 C ATOM 1575 O ILE A 101 -7.056 -3.330 -2.866 1.00 0.00 O ATOM 1576 CB ILE A 101 -7.554 -6.365 -3.775 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -6.849 -7.561 -4.418 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -7.987 -5.365 -4.836 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -7.770 -8.436 -5.239 1.00 0.00 C ATOM 0 H ILE A 101 -6.481 -7.563 -1.818 1.00 0.00 H new ATOM 0 HA ILE A 101 -5.672 -5.466 -3.219 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.444 -6.726 -3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.043 -7.198 -5.055 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.389 -8.165 -3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.640 -5.858 -5.556 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.524 -4.542 -4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.108 -4.977 -5.350 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.202 -9.263 -5.664 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.562 -8.829 -4.602 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.210 -7.847 -6.043 1.00 0.00 H new ATOM 1591 N GLN A 102 -8.066 -4.476 -1.214 1.00 0.00 N ATOM 1592 CA GLN A 102 -8.741 -3.305 -0.666 1.00 0.00 C ATOM 1593 C GLN A 102 -7.894 -2.646 0.417 1.00 0.00 C ATOM 1594 O GLN A 102 -7.713 -1.429 0.422 1.00 0.00 O ATOM 1595 CB GLN A 102 -10.105 -3.697 -0.096 1.00 0.00 C ATOM 1596 CG GLN A 102 -11.007 -4.396 -1.101 1.00 0.00 C ATOM 1597 CD GLN A 102 -12.478 -4.148 -0.836 1.00 0.00 C ATOM 1598 OE1 GLN A 102 -12.995 -4.488 0.229 1.00 0.00 O ATOM 1599 NE2 GLN A 102 -13.163 -3.553 -1.806 1.00 0.00 N ATOM 0 H GLN A 102 -8.256 -5.345 -0.715 1.00 0.00 H new ATOM 0 HA GLN A 102 -8.886 -2.588 -1.474 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -9.956 -4.352 0.763 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -10.608 -2.801 0.269 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -10.760 -4.053 -2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -10.813 -5.468 -1.074 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -12.695 -3.288 -2.673 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -14.157 -3.361 -1.684 1.00 0.00 H new ATOM 1608 N ALA A 103 -7.378 -3.458 1.334 1.00 0.00 N ATOM 1609 CA ALA A 103 -6.549 -2.953 2.421 1.00 0.00 C ATOM 1610 C ALA A 103 -5.360 -2.164 1.884 1.00 0.00 C ATOM 1611 O ALA A 103 -5.140 -1.016 2.269 1.00 0.00 O ATOM 1612 CB ALA A 103 -6.070 -4.102 3.297 1.00 0.00 C ATOM 0 H ALA A 103 -7.520 -4.468 1.346 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.156 -2.279 3.025 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.452 -3.710 4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.931 -4.622 3.718 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.484 -4.798 2.696 1.00 0.00 H new ATOM 1618 N MET A 104 -4.595 -2.787 0.993 1.00 0.00 N ATOM 1619 CA MET A 104 -3.428 -2.141 0.403 1.00 0.00 C ATOM 1620 C MET A 104 -3.838 -1.221 -0.743 1.00 0.00 C ATOM 1621 O MET A 104 -3.200 -0.199 -0.989 1.00 0.00 O ATOM 1622 CB MET A 104 -2.437 -3.192 -0.100 1.00 0.00 C ATOM 1623 CG MET A 104 -2.942 -3.980 -1.298 1.00 0.00 C ATOM 1624 SD MET A 104 -2.318 -5.671 -1.331 1.00 0.00 S ATOM 1625 CE MET A 104 -0.551 -5.381 -1.267 1.00 0.00 C ATOM 0 H MET A 104 -4.762 -3.738 0.664 1.00 0.00 H new ATOM 0 HA MET A 104 -2.947 -1.539 1.174 1.00 0.00 H new ATOM 0 HB2 MET A 104 -1.502 -2.699 -0.368 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.212 -3.884 0.711 1.00 0.00 H new ATOM 0 HG2 MET A 104 -4.032 -3.999 -1.282 1.00 0.00 H new ATOM 0 HG3 MET A 104 -2.646 -3.470 -2.215 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.028 -6.334 -1.191 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.234 -4.865 -2.173 1.00 0.00 H new ATOM 0 HE3 MET A 104 -0.314 -4.767 -0.398 1.00 0.00 H new ATOM 1635 N GLY A 105 -4.906 -1.593 -1.442 1.00 0.00 N ATOM 1636 CA GLY A 105 -5.381 -0.791 -2.554 1.00 0.00 C ATOM 1637 C GLY A 105 -5.869 0.576 -2.116 1.00 0.00 C ATOM 1638 O GLY A 105 -5.637 1.573 -2.799 1.00 0.00 O ATOM 0 H GLY A 105 -5.451 -2.436 -1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.578 -0.671 -3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.191 -1.318 -3.058 1.00 0.00 H new ATOM 1642 N GLU A 106 -6.549 0.622 -0.974 1.00 0.00 N ATOM 1643 CA GLU A 106 -7.074 1.877 -0.449 1.00 0.00 C ATOM 1644 C GLU A 106 -5.940 2.843 -0.115 1.00 0.00 C ATOM 1645 O GLU A 106 -6.002 4.027 -0.445 1.00 0.00 O ATOM 1646 CB GLU A 106 -7.922 1.618 0.798 1.00 0.00 C ATOM 1647 CG GLU A 106 -7.124 1.638 2.092 1.00 0.00 C ATOM 1648 CD GLU A 106 -8.006 1.551 3.322 1.00 0.00 C ATOM 1649 OE1 GLU A 106 -9.045 0.861 3.261 1.00 0.00 O ATOM 1650 OE2 GLU A 106 -7.656 2.173 4.347 1.00 0.00 O ATOM 0 H GLU A 106 -6.749 -0.194 -0.396 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.700 2.330 -1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.709 2.370 0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.413 0.650 0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.421 0.805 2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.534 2.553 2.137 1.00 0.00 H new ATOM 1657 N ALA A 107 -4.906 2.328 0.542 1.00 0.00 N ATOM 1658 CA ALA A 107 -3.758 3.143 0.920 1.00 0.00 C ATOM 1659 C ALA A 107 -3.142 3.821 -0.299 1.00 0.00 C ATOM 1660 O ALA A 107 -2.610 4.927 -0.204 1.00 0.00 O ATOM 1661 CB ALA A 107 -2.719 2.293 1.635 1.00 0.00 C ATOM 0 H ALA A 107 -4.840 1.350 0.824 1.00 0.00 H new ATOM 0 HA ALA A 107 -4.104 3.921 1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.868 2.915 1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -3.159 1.860 2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.385 1.494 0.973 1.00 0.00 H new ATOM 1667 N ALA A 108 -3.217 3.151 -1.444 1.00 0.00 N ATOM 1668 CA ALA A 108 -2.667 3.689 -2.682 1.00 0.00 C ATOM 1669 C ALA A 108 -3.392 4.965 -3.095 1.00 0.00 C ATOM 1670 O ALA A 108 -2.762 5.959 -3.458 1.00 0.00 O ATOM 1671 CB ALA A 108 -2.748 2.651 -3.791 1.00 0.00 C ATOM 0 H ALA A 108 -3.654 2.234 -1.540 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.620 3.937 -2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.334 3.067 -4.709 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.179 1.767 -3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.790 2.375 -3.955 1.00 0.00 H new ATOM 1677 N ARG A 109 -4.720 4.931 -3.039 1.00 0.00 N ATOM 1678 CA ARG A 109 -5.530 6.084 -3.409 1.00 0.00 C ATOM 1679 C ARG A 109 -4.933 7.372 -2.848 1.00 0.00 C ATOM 1680 O ARG A 109 -4.111 7.339 -1.933 1.00 0.00 O ATOM 1681 CB ARG A 109 -6.963 5.911 -2.902 1.00 0.00 C ATOM 1682 CG ARG A 109 -7.851 5.115 -3.845 1.00 0.00 C ATOM 1683 CD ARG A 109 -8.928 4.355 -3.087 1.00 0.00 C ATOM 1684 NE ARG A 109 -10.014 5.230 -2.655 1.00 0.00 N ATOM 1685 CZ ARG A 109 -10.844 4.935 -1.660 1.00 0.00 C ATOM 1686 NH1 ARG A 109 -10.711 3.794 -0.998 1.00 0.00 N ATOM 1687 NH2 ARG A 109 -11.808 5.783 -1.325 1.00 0.00 N ATOM 0 H ARG A 109 -5.257 4.117 -2.741 1.00 0.00 H new ATOM 0 HA ARG A 109 -5.542 6.153 -4.497 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -6.939 5.413 -1.933 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -7.405 6.895 -2.744 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -8.317 5.789 -4.564 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -7.242 4.413 -4.415 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.330 3.565 -3.722 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -8.485 3.870 -2.217 1.00 0.00 H new ATOM 0 HE ARG A 109 -10.143 6.116 -3.144 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -9.970 3.140 -1.252 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.349 3.570 -0.235 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -11.913 6.662 -1.831 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -12.445 5.556 -0.561 1.00 0.00 H new