USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 824 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 66 ASN :FLIP amide:sc= -0.289 F(o=-1.3!,f=0.82) USER MOD Set 1.2: A 85 SER OG : rot 78:sc= 1.11 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.767 X(o=-0.77,f=-1.1!) USER MOD Single : A 17 CYS SG : rot -103:sc= 1.05 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 32:sc= 0.256 USER MOD Single : A 21 LYS NZ :NH3+ -123:sc= 0.665 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 25 GLN : amide:sc= -0.185 K(o=-0.19,f=-2.4!) USER MOD Single : A 26 ASN : amide:sc= -0.0555 K(o=-0.055,f=-1.2!) USER MOD Single : A 27 TYR OH : rot 40:sc= 0.908 USER MOD Single : A 35 LYS NZ :NH3+ 167:sc=-0.00169 (180deg=-0.092) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 49 SER OG : rot -94:sc= 0.712 USER MOD Single : A 53 LYS NZ :NH3+ -154:sc= -0.102 (180deg=-0.619) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.0891 X(o=-0.089,f=-0.072) USER MOD Single : A 77 GLN :FLIP amide:sc= 1.17 F(o=-0.36,f=1.2) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 10:sc= 0.329! USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 143:sc= 0.028 (180deg=-0.0241) USER MOD Single : A 114 GLN : amide:sc= -1.9! C(o=-1.9!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 104 N THR A 11 -9.742 -12.563 8.502 1.00 0.00 N ATOM 105 CA THR A 11 -9.684 -11.201 7.987 1.00 0.00 C ATOM 106 C THR A 11 -8.893 -10.293 8.922 1.00 0.00 C ATOM 107 O THR A 11 -8.933 -10.456 10.142 1.00 0.00 O ATOM 108 CB THR A 11 -11.094 -10.613 7.792 1.00 0.00 C ATOM 109 OG1 THR A 11 -11.002 -9.268 7.310 1.00 0.00 O ATOM 110 CG2 THR A 11 -11.876 -10.637 9.096 1.00 0.00 C ATOM 0 HA THR A 11 -9.182 -11.250 7.021 1.00 0.00 H new ATOM 0 HB THR A 11 -11.620 -11.226 7.060 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.903 -8.902 7.187 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.868 -10.217 8.933 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.970 -11.665 9.445 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.351 -10.046 9.846 1.00 0.00 H new ATOM 118 N PHE A 12 -8.174 -9.337 8.344 1.00 0.00 N ATOM 119 CA PHE A 12 -7.373 -8.403 9.126 1.00 0.00 C ATOM 120 C PHE A 12 -7.884 -6.975 8.959 1.00 0.00 C ATOM 121 O PHE A 12 -8.589 -6.666 8.000 1.00 0.00 O ATOM 122 CB PHE A 12 -5.903 -8.484 8.707 1.00 0.00 C ATOM 123 CG PHE A 12 -5.353 -9.881 8.715 1.00 0.00 C ATOM 124 CD1 PHE A 12 -5.594 -10.741 7.656 1.00 0.00 C ATOM 125 CD2 PHE A 12 -4.594 -10.334 9.782 1.00 0.00 C ATOM 126 CE1 PHE A 12 -5.089 -12.028 7.662 1.00 0.00 C ATOM 127 CE2 PHE A 12 -4.086 -11.620 9.794 1.00 0.00 C ATOM 128 CZ PHE A 12 -4.334 -12.467 8.731 1.00 0.00 C ATOM 0 H PHE A 12 -8.130 -9.189 7.336 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.460 -8.680 10.177 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.795 -8.066 7.706 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.308 -7.864 9.377 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.183 -10.402 6.816 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.397 -9.675 10.614 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.285 -12.689 6.831 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.497 -11.961 10.632 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.938 -13.472 8.736 1.00 0.00 H new ATOM 138 N ASN A 13 -7.522 -6.110 9.900 1.00 0.00 N ATOM 139 CA ASN A 13 -7.944 -4.714 9.859 1.00 0.00 C ATOM 140 C ASN A 13 -6.790 -3.809 9.441 1.00 0.00 C ATOM 141 O ASN A 13 -6.023 -3.317 10.269 1.00 0.00 O ATOM 142 CB ASN A 13 -8.479 -4.281 11.225 1.00 0.00 C ATOM 143 CG ASN A 13 -7.623 -4.790 12.369 1.00 0.00 C ATOM 144 OD1 ASN A 13 -6.400 -4.869 12.256 1.00 0.00 O ATOM 145 ND2 ASN A 13 -8.265 -5.138 13.478 1.00 0.00 N ATOM 0 H ASN A 13 -6.937 -6.350 10.701 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.740 -4.622 9.120 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.525 -3.193 11.266 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.498 -4.648 11.346 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.743 -5.488 14.281 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.281 -5.056 13.527 1.00 0.00 H new ATOM 152 N PRO A 14 -6.662 -3.582 8.125 1.00 0.00 N ATOM 153 CA PRO A 14 -5.604 -2.733 7.568 1.00 0.00 C ATOM 154 C PRO A 14 -5.807 -1.259 7.902 1.00 0.00 C ATOM 155 O PRO A 14 -6.937 -0.801 8.070 1.00 0.00 O ATOM 156 CB PRO A 14 -5.726 -2.961 6.059 1.00 0.00 C ATOM 157 CG PRO A 14 -7.144 -3.368 5.850 1.00 0.00 C ATOM 158 CD PRO A 14 -7.540 -4.135 7.081 1.00 0.00 C ATOM 0 HA PRO A 14 -4.624 -2.983 7.974 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.488 -2.055 5.501 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.038 -3.735 5.719 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.784 -2.497 5.711 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.246 -3.984 4.957 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.593 -3.990 7.323 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.387 -5.207 6.953 1.00 0.00 H new ATOM 166 N ARG A 15 -4.706 -0.522 7.997 1.00 0.00 N ATOM 167 CA ARG A 15 -4.763 0.900 8.311 1.00 0.00 C ATOM 168 C ARG A 15 -4.753 1.740 7.037 1.00 0.00 C ATOM 169 O ARG A 15 -4.034 1.434 6.087 1.00 0.00 O ATOM 170 CB ARG A 15 -3.585 1.295 9.204 1.00 0.00 C ATOM 171 CG ARG A 15 -3.741 0.853 10.650 1.00 0.00 C ATOM 172 CD ARG A 15 -2.397 0.769 11.355 1.00 0.00 C ATOM 173 NE ARG A 15 -2.000 2.052 11.930 1.00 0.00 N ATOM 174 CZ ARG A 15 -0.746 2.362 12.240 1.00 0.00 C ATOM 175 NH1 ARG A 15 0.228 1.487 12.030 1.00 0.00 N ATOM 176 NH2 ARG A 15 -0.464 3.550 12.760 1.00 0.00 N ATOM 0 H ARG A 15 -3.763 -0.886 7.861 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.694 1.091 8.844 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.671 0.862 8.797 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.465 2.378 9.175 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.387 1.554 11.178 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.232 -0.120 10.683 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.448 0.018 12.144 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.637 0.438 10.648 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.725 2.748 12.103 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.015 0.573 11.630 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.190 1.728 12.269 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.210 4.226 12.922 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.499 3.787 12.998 1.00 0.00 H new ATOM 190 N GLU A 16 -5.557 2.799 7.027 1.00 0.00 N ATOM 191 CA GLU A 16 -5.641 3.681 5.869 1.00 0.00 C ATOM 192 C GLU A 16 -4.781 4.926 6.069 1.00 0.00 C ATOM 193 O GLU A 16 -4.643 5.424 7.187 1.00 0.00 O ATOM 194 CB GLU A 16 -7.094 4.088 5.614 1.00 0.00 C ATOM 195 CG GLU A 16 -7.326 4.691 4.239 1.00 0.00 C ATOM 196 CD GLU A 16 -8.597 5.514 4.169 1.00 0.00 C ATOM 197 OE1 GLU A 16 -8.539 6.723 4.479 1.00 0.00 O ATOM 198 OE2 GLU A 16 -9.650 4.950 3.806 1.00 0.00 O ATOM 0 H GLU A 16 -6.158 3.066 7.806 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.266 3.136 5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.733 3.213 5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.399 4.808 6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.476 5.320 3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.374 3.892 3.499 1.00 0.00 H new ATOM 205 N CYS A 17 -4.205 5.421 4.980 1.00 0.00 N ATOM 206 CA CYS A 17 -3.357 6.607 5.035 1.00 0.00 C ATOM 207 C CYS A 17 -3.772 7.622 3.975 1.00 0.00 C ATOM 208 O CYS A 17 -4.059 7.262 2.833 1.00 0.00 O ATOM 209 CB CYS A 17 -1.891 6.219 4.841 1.00 0.00 C ATOM 210 SG CYS A 17 -1.086 5.602 6.338 1.00 0.00 S ATOM 0 H CYS A 17 -4.309 5.020 4.048 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.478 7.065 6.017 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.828 5.455 4.066 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.342 7.087 4.478 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.326 6.531 6.837 1.00 0.00 H new ATOM 216 N LYS A 18 -3.803 8.893 4.361 1.00 0.00 N ATOM 217 CA LYS A 18 -4.183 9.962 3.445 1.00 0.00 C ATOM 218 C LYS A 18 -3.016 10.915 3.207 1.00 0.00 C ATOM 219 O LYS A 18 -2.642 11.688 4.090 1.00 0.00 O ATOM 220 CB LYS A 18 -5.381 10.735 3.999 1.00 0.00 C ATOM 221 CG LYS A 18 -6.721 10.110 3.651 1.00 0.00 C ATOM 222 CD LYS A 18 -7.765 10.397 4.718 1.00 0.00 C ATOM 223 CE LYS A 18 -9.116 9.805 4.350 1.00 0.00 C ATOM 224 NZ LYS A 18 -9.935 9.500 5.556 1.00 0.00 N ATOM 0 H LYS A 18 -3.569 9.208 5.303 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.460 9.509 2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.291 10.801 5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.354 11.755 3.615 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.065 10.496 2.691 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.602 9.032 3.537 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.434 9.986 5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.863 11.474 4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.657 10.503 3.711 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.968 8.893 3.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.848 9.098 5.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.431 8.814 6.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.099 10.374 6.095 1.00 0.00 H new ATOM 238 N LEU A 19 -2.445 10.857 2.009 1.00 0.00 N ATOM 239 CA LEU A 19 -1.321 11.716 1.654 1.00 0.00 C ATOM 240 C LEU A 19 -1.792 12.927 0.854 1.00 0.00 C ATOM 241 O LEU A 19 -2.658 12.811 -0.013 1.00 0.00 O ATOM 242 CB LEU A 19 -0.286 10.929 0.848 1.00 0.00 C ATOM 243 CG LEU A 19 0.805 10.230 1.659 1.00 0.00 C ATOM 244 CD1 LEU A 19 0.327 8.867 2.134 1.00 0.00 C ATOM 245 CD2 LEU A 19 2.077 10.092 0.834 1.00 0.00 C ATOM 0 H LEU A 19 -2.742 10.224 1.267 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.861 12.070 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.810 10.177 0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.192 11.611 0.145 1.00 0.00 H new ATOM 0 HG LEU A 19 1.027 10.840 2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.117 8.385 2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.556 8.989 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.077 8.249 1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.843 9.592 1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.869 9.504 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.431 11.081 0.543 1.00 0.00 H new ATOM 257 N SER A 20 -1.215 14.087 1.151 1.00 0.00 N ATOM 258 CA SER A 20 -1.577 15.319 0.460 1.00 0.00 C ATOM 259 C SER A 20 -0.334 16.134 0.116 1.00 0.00 C ATOM 260 O SER A 20 0.502 16.407 0.977 1.00 0.00 O ATOM 261 CB SER A 20 -2.524 16.153 1.325 1.00 0.00 C ATOM 262 OG SER A 20 -1.918 16.500 2.558 1.00 0.00 O ATOM 0 H SER A 20 -0.495 14.199 1.865 1.00 0.00 H new ATOM 0 HA SER A 20 -2.083 15.052 -0.468 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.809 17.058 0.789 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.440 15.592 1.512 1.00 0.00 H new ATOM 0 HG SER A 20 -0.953 16.608 2.429 1.00 0.00 H new ATOM 268 N LYS A 21 -0.219 16.519 -1.150 1.00 0.00 N ATOM 269 CA LYS A 21 0.920 17.304 -1.612 1.00 0.00 C ATOM 270 C LYS A 21 0.471 18.403 -2.570 1.00 0.00 C ATOM 271 O LYS A 21 -0.704 18.485 -2.927 1.00 0.00 O ATOM 272 CB LYS A 21 1.943 16.399 -2.301 1.00 0.00 C ATOM 273 CG LYS A 21 1.510 15.930 -3.679 1.00 0.00 C ATOM 274 CD LYS A 21 2.692 15.434 -4.496 1.00 0.00 C ATOM 275 CE LYS A 21 2.425 15.552 -5.989 1.00 0.00 C ATOM 276 NZ LYS A 21 1.770 14.330 -6.533 1.00 0.00 N ATOM 0 H LYS A 21 -0.902 16.300 -1.876 1.00 0.00 H new ATOM 0 HA LYS A 21 1.384 17.771 -0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.888 16.935 -2.389 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.128 15.528 -1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.775 15.131 -3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.020 16.749 -4.206 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.581 16.009 -4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.900 14.394 -4.243 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.791 16.418 -6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.365 15.725 -6.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.349 13.940 -7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.676 13.621 -5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.827 14.575 -6.898 1.00 0.00 H new ATOM 290 N GLN A 22 1.414 19.244 -2.982 1.00 0.00 N ATOM 291 CA GLN A 22 1.114 20.337 -3.899 1.00 0.00 C ATOM 292 C GLN A 22 1.288 19.895 -5.348 1.00 0.00 C ATOM 293 O GLN A 22 1.758 18.790 -5.617 1.00 0.00 O ATOM 294 CB GLN A 22 2.017 21.537 -3.608 1.00 0.00 C ATOM 295 CG GLN A 22 1.930 22.031 -2.173 1.00 0.00 C ATOM 296 CD GLN A 22 0.779 22.993 -1.955 1.00 0.00 C ATOM 297 OE1 GLN A 22 -0.384 22.646 -2.168 1.00 0.00 O ATOM 298 NE2 GLN A 22 1.096 24.209 -1.529 1.00 0.00 N ATOM 0 H GLN A 22 2.391 19.189 -2.696 1.00 0.00 H new ATOM 0 HA GLN A 22 0.074 20.628 -3.749 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.050 21.266 -3.828 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.751 22.352 -4.281 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.816 21.177 -1.505 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.865 22.523 -1.905 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.073 24.454 -1.365 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.363 24.899 -1.365 1.00 0.00 H new ATOM 307 N GLU A 23 0.904 20.765 -6.277 1.00 0.00 N ATOM 308 CA GLU A 23 1.016 20.462 -7.699 1.00 0.00 C ATOM 309 C GLU A 23 2.425 20.753 -8.208 1.00 0.00 C ATOM 310 O GLU A 23 2.819 21.910 -8.351 1.00 0.00 O ATOM 311 CB GLU A 23 -0.004 21.275 -8.499 1.00 0.00 C ATOM 312 CG GLU A 23 0.374 21.459 -9.959 1.00 0.00 C ATOM 313 CD GLU A 23 0.270 20.173 -10.755 1.00 0.00 C ATOM 314 OE1 GLU A 23 0.717 19.123 -10.249 1.00 0.00 O ATOM 315 OE2 GLU A 23 -0.260 20.218 -11.885 1.00 0.00 O ATOM 0 H GLU A 23 0.513 21.684 -6.071 1.00 0.00 H new ATOM 0 HA GLU A 23 0.811 19.400 -7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.974 20.781 -8.443 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.118 22.255 -8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.275 22.212 -10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.394 21.839 -10.021 1.00 0.00 H new ATOM 322 N GLY A 24 3.181 19.693 -8.479 1.00 0.00 N ATOM 323 CA GLY A 24 4.538 19.855 -8.967 1.00 0.00 C ATOM 324 C GLY A 24 5.572 19.320 -7.996 1.00 0.00 C ATOM 325 O GLY A 24 6.590 18.766 -8.408 1.00 0.00 O ATOM 0 H GLY A 24 2.878 18.725 -8.369 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.641 19.340 -9.922 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.730 20.912 -9.152 1.00 0.00 H new ATOM 329 N GLN A 25 5.310 19.487 -6.704 1.00 0.00 N ATOM 330 CA GLN A 25 6.227 19.018 -5.672 1.00 0.00 C ATOM 331 C GLN A 25 6.060 17.521 -5.434 1.00 0.00 C ATOM 332 O GLN A 25 5.010 16.950 -5.726 1.00 0.00 O ATOM 333 CB GLN A 25 5.995 19.783 -4.368 1.00 0.00 C ATOM 334 CG GLN A 25 7.244 19.918 -3.512 1.00 0.00 C ATOM 335 CD GLN A 25 6.932 19.985 -2.030 1.00 0.00 C ATOM 336 OE1 GLN A 25 5.842 19.609 -1.596 1.00 0.00 O ATOM 337 NE2 GLN A 25 7.888 20.466 -1.244 1.00 0.00 N ATOM 0 H GLN A 25 4.471 19.943 -6.347 1.00 0.00 H new ATOM 0 HA GLN A 25 7.245 19.201 -6.016 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.616 20.778 -4.602 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.222 19.275 -3.791 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.904 19.071 -3.703 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.786 20.817 -3.806 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.776 20.766 -1.646 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.734 20.535 -0.238 1.00 0.00 H new ATOM 346 N ASN A 26 7.103 16.891 -4.903 1.00 0.00 N ATOM 347 CA ASN A 26 7.071 15.459 -4.627 1.00 0.00 C ATOM 348 C ASN A 26 6.404 15.179 -3.284 1.00 0.00 C ATOM 349 O ASN A 26 6.139 16.097 -2.507 1.00 0.00 O ATOM 350 CB ASN A 26 8.490 14.886 -4.633 1.00 0.00 C ATOM 351 CG ASN A 26 9.014 14.656 -6.038 1.00 0.00 C ATOM 352 OD1 ASN A 26 8.256 14.319 -6.948 1.00 0.00 O ATOM 353 ND2 ASN A 26 10.317 14.837 -6.220 1.00 0.00 N ATOM 0 H ASN A 26 7.980 17.349 -4.655 1.00 0.00 H new ATOM 0 HA ASN A 26 6.487 14.976 -5.411 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.157 15.569 -4.106 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.501 13.944 -4.085 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.727 14.697 -7.143 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.907 15.117 -5.437 1.00 0.00 H new ATOM 360 N TYR A 27 6.135 13.906 -3.018 1.00 0.00 N ATOM 361 CA TYR A 27 5.497 13.504 -1.770 1.00 0.00 C ATOM 362 C TYR A 27 6.528 13.341 -0.658 1.00 0.00 C ATOM 363 O TYR A 27 6.405 13.936 0.412 1.00 0.00 O ATOM 364 CB TYR A 27 4.728 12.196 -1.963 1.00 0.00 C ATOM 365 CG TYR A 27 3.290 12.395 -2.387 1.00 0.00 C ATOM 366 CD1 TYR A 27 2.383 13.038 -1.554 1.00 0.00 C ATOM 367 CD2 TYR A 27 2.840 11.942 -3.621 1.00 0.00 C ATOM 368 CE1 TYR A 27 1.068 13.221 -1.936 1.00 0.00 C ATOM 369 CE2 TYR A 27 1.527 12.122 -4.012 1.00 0.00 C ATOM 370 CZ TYR A 27 0.645 12.762 -3.167 1.00 0.00 C ATOM 371 OH TYR A 27 -0.663 12.944 -3.552 1.00 0.00 O ATOM 0 H TYR A 27 6.349 13.134 -3.650 1.00 0.00 H new ATOM 0 HA TYR A 27 4.798 14.289 -1.481 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.239 11.592 -2.713 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.748 11.632 -1.031 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.711 13.401 -0.591 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.528 11.441 -4.286 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.375 13.720 -1.275 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.193 11.763 -4.974 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.966 13.832 -3.270 1.00 0.00 H new ATOM 381 N GLY A 28 7.548 12.529 -0.920 1.00 0.00 N ATOM 382 CA GLY A 28 8.588 12.302 0.066 1.00 0.00 C ATOM 383 C GLY A 28 8.978 10.841 0.171 1.00 0.00 C ATOM 384 O GLY A 28 10.113 10.517 0.523 1.00 0.00 O ATOM 0 H GLY A 28 7.672 12.024 -1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.467 12.892 -0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.245 12.654 1.039 1.00 0.00 H new ATOM 388 N PHE A 29 8.036 9.955 -0.135 1.00 0.00 N ATOM 389 CA PHE A 29 8.286 8.520 -0.071 1.00 0.00 C ATOM 390 C PHE A 29 8.348 7.915 -1.470 1.00 0.00 C ATOM 391 O PHE A 29 7.608 8.321 -2.367 1.00 0.00 O ATOM 392 CB PHE A 29 7.196 7.826 0.749 1.00 0.00 C ATOM 393 CG PHE A 29 6.005 7.412 -0.067 1.00 0.00 C ATOM 394 CD1 PHE A 29 5.140 8.362 -0.587 1.00 0.00 C ATOM 395 CD2 PHE A 29 5.750 6.073 -0.314 1.00 0.00 C ATOM 396 CE1 PHE A 29 4.043 7.984 -1.338 1.00 0.00 C ATOM 397 CE2 PHE A 29 4.655 5.689 -1.065 1.00 0.00 C ATOM 398 CZ PHE A 29 3.800 6.646 -1.577 1.00 0.00 C ATOM 0 H PHE A 29 7.092 10.206 -0.430 1.00 0.00 H new ATOM 0 HA PHE A 29 9.250 8.367 0.415 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.620 6.945 1.231 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.867 8.497 1.543 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.325 9.410 -0.403 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.414 5.321 0.085 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.377 8.734 -1.737 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.468 4.642 -1.251 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.943 6.348 -2.163 1.00 0.00 H new ATOM 408 N PHE A 30 9.236 6.944 -1.650 1.00 0.00 N ATOM 409 CA PHE A 30 9.397 6.284 -2.941 1.00 0.00 C ATOM 410 C PHE A 30 9.028 4.806 -2.846 1.00 0.00 C ATOM 411 O PHE A 30 9.308 4.148 -1.843 1.00 0.00 O ATOM 412 CB PHE A 30 10.836 6.431 -3.437 1.00 0.00 C ATOM 413 CG PHE A 30 11.227 7.851 -3.732 1.00 0.00 C ATOM 414 CD1 PHE A 30 11.025 8.392 -4.992 1.00 0.00 C ATOM 415 CD2 PHE A 30 11.795 8.645 -2.749 1.00 0.00 C ATOM 416 CE1 PHE A 30 11.383 9.698 -5.266 1.00 0.00 C ATOM 417 CE2 PHE A 30 12.155 9.953 -3.017 1.00 0.00 C ATOM 418 CZ PHE A 30 11.949 10.479 -4.278 1.00 0.00 C ATOM 0 H PHE A 30 9.856 6.596 -0.918 1.00 0.00 H new ATOM 0 HA PHE A 30 8.724 6.763 -3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.514 6.025 -2.686 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.964 5.833 -4.339 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.583 7.786 -5.769 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.958 8.238 -1.762 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.220 10.108 -6.252 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.596 10.562 -2.242 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.230 11.500 -4.491 1.00 0.00 H new ATOM 428 N LEU A 31 8.398 4.291 -3.895 1.00 0.00 N ATOM 429 CA LEU A 31 7.989 2.891 -3.931 1.00 0.00 C ATOM 430 C LEU A 31 9.077 2.022 -4.554 1.00 0.00 C ATOM 431 O LEU A 31 9.165 1.901 -5.776 1.00 0.00 O ATOM 432 CB LEU A 31 6.687 2.739 -4.719 1.00 0.00 C ATOM 433 CG LEU A 31 5.442 3.359 -4.082 1.00 0.00 C ATOM 434 CD1 LEU A 31 4.445 3.774 -5.153 1.00 0.00 C ATOM 435 CD2 LEU A 31 4.802 2.384 -3.105 1.00 0.00 C ATOM 0 H LEU A 31 8.159 4.822 -4.733 1.00 0.00 H new ATOM 0 HA LEU A 31 7.827 2.560 -2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.827 3.185 -5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.501 1.676 -4.874 1.00 0.00 H new ATOM 0 HG LEU A 31 5.744 4.250 -3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.566 4.213 -4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.906 4.507 -5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.148 2.900 -5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.918 2.841 -2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.514 1.475 -3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.515 2.136 -2.319 1.00 0.00 H new ATOM 447 N ARG A 32 9.903 1.419 -3.706 1.00 0.00 N ATOM 448 CA ARG A 32 10.985 0.560 -4.174 1.00 0.00 C ATOM 449 C ARG A 32 10.750 -0.888 -3.754 1.00 0.00 C ATOM 450 O ARG A 32 10.343 -1.158 -2.623 1.00 0.00 O ATOM 451 CB ARG A 32 12.327 1.050 -3.625 1.00 0.00 C ATOM 452 CG ARG A 32 12.522 0.761 -2.146 1.00 0.00 C ATOM 453 CD ARG A 32 13.193 -0.586 -1.925 1.00 0.00 C ATOM 454 NE ARG A 32 14.330 -0.784 -2.820 1.00 0.00 N ATOM 455 CZ ARG A 32 15.475 -0.120 -2.712 1.00 0.00 C ATOM 456 NH1 ARG A 32 15.635 0.780 -1.751 1.00 0.00 N ATOM 457 NH2 ARG A 32 16.464 -0.357 -3.565 1.00 0.00 N ATOM 0 H ARG A 32 9.844 1.509 -2.692 1.00 0.00 H new ATOM 0 HA ARG A 32 11.007 0.605 -5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.134 0.580 -4.188 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.407 2.124 -3.790 1.00 0.00 H new ATOM 0 HG2 ARG A 32 13.128 1.548 -1.697 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.556 0.775 -1.641 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.529 -0.658 -0.891 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.466 -1.383 -2.081 1.00 0.00 H new ATOM 0 HE ARG A 32 14.240 -1.470 -3.569 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.878 0.963 -1.093 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.515 1.289 -1.670 1.00 0.00 H new ATOM 0 HH21 ARG A 32 16.345 -1.050 -4.304 1.00 0.00 H new ATOM 0 HH22 ARG A 32 17.343 0.154 -3.481 1.00 0.00 H new ATOM 471 N ILE A 33 11.008 -1.814 -4.671 1.00 0.00 N ATOM 472 CA ILE A 33 10.825 -3.233 -4.396 1.00 0.00 C ATOM 473 C ILE A 33 12.127 -3.875 -3.928 1.00 0.00 C ATOM 474 O ILE A 33 13.211 -3.494 -4.369 1.00 0.00 O ATOM 475 CB ILE A 33 10.312 -3.986 -5.637 1.00 0.00 C ATOM 476 CG1 ILE A 33 11.294 -3.826 -6.800 1.00 0.00 C ATOM 477 CG2 ILE A 33 8.931 -3.482 -6.030 1.00 0.00 C ATOM 478 CD1 ILE A 33 11.182 -4.918 -7.841 1.00 0.00 C ATOM 0 H ILE A 33 11.345 -1.607 -5.611 1.00 0.00 H new ATOM 0 HA ILE A 33 10.081 -3.307 -3.603 1.00 0.00 H new ATOM 0 HB ILE A 33 10.235 -5.046 -5.394 1.00 0.00 H new ATOM 0 HG12 ILE A 33 11.124 -2.861 -7.278 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.311 -3.813 -6.407 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.582 -4.024 -6.909 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.237 -3.643 -5.205 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.983 -2.417 -6.258 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.908 -4.740 -8.635 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.381 -5.884 -7.378 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.177 -4.918 -8.262 1.00 0.00 H new ATOM 490 N GLU A 34 12.011 -4.851 -3.033 1.00 0.00 N ATOM 491 CA GLU A 34 13.180 -5.546 -2.506 1.00 0.00 C ATOM 492 C GLU A 34 13.233 -6.984 -3.016 1.00 0.00 C ATOM 493 O GLU A 34 12.242 -7.515 -3.517 1.00 0.00 O ATOM 494 CB GLU A 34 13.160 -5.537 -0.976 1.00 0.00 C ATOM 495 CG GLU A 34 13.564 -4.203 -0.371 1.00 0.00 C ATOM 496 CD GLU A 34 15.068 -4.033 -0.284 1.00 0.00 C ATOM 497 OE1 GLU A 34 15.781 -5.059 -0.279 1.00 0.00 O ATOM 498 OE2 GLU A 34 15.533 -2.876 -0.222 1.00 0.00 O ATOM 0 H GLU A 34 11.121 -5.178 -2.658 1.00 0.00 H new ATOM 0 HA GLU A 34 14.070 -5.022 -2.854 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.158 -5.794 -0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.832 -6.312 -0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.145 -3.395 -0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.134 -4.116 0.627 1.00 0.00 H new ATOM 505 N LYS A 35 14.399 -7.608 -2.885 1.00 0.00 N ATOM 506 CA LYS A 35 14.584 -8.984 -3.330 1.00 0.00 C ATOM 507 C LYS A 35 14.013 -9.967 -2.314 1.00 0.00 C ATOM 508 O LYS A 35 14.268 -9.853 -1.115 1.00 0.00 O ATOM 509 CB LYS A 35 16.070 -9.273 -3.555 1.00 0.00 C ATOM 510 CG LYS A 35 16.568 -8.864 -4.931 1.00 0.00 C ATOM 511 CD LYS A 35 16.693 -7.354 -5.052 1.00 0.00 C ATOM 512 CE LYS A 35 17.949 -6.842 -4.365 1.00 0.00 C ATOM 513 NZ LYS A 35 19.178 -7.169 -5.140 1.00 0.00 N ATOM 0 H LYS A 35 15.230 -7.182 -2.474 1.00 0.00 H new ATOM 0 HA LYS A 35 14.048 -9.110 -4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.652 -8.749 -2.797 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.249 -10.339 -3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 35 17.536 -9.327 -5.121 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.882 -9.236 -5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 35 16.713 -7.073 -6.105 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.817 -6.879 -4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.878 -5.762 -4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.021 -7.278 -3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.980 -6.624 -4.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 19.381 -8.186 -5.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.032 -6.927 -6.141 1.00 0.00 H new ATOM 527 N ASP A 36 13.240 -10.932 -2.801 1.00 0.00 N ATOM 528 CA ASP A 36 12.634 -11.937 -1.934 1.00 0.00 C ATOM 529 C ASP A 36 11.655 -11.293 -0.957 1.00 0.00 C ATOM 530 O ASP A 36 11.633 -11.628 0.228 1.00 0.00 O ATOM 531 CB ASP A 36 13.716 -12.697 -1.165 1.00 0.00 C ATOM 532 CG ASP A 36 14.657 -13.452 -2.083 1.00 0.00 C ATOM 533 OD1 ASP A 36 14.180 -14.005 -3.097 1.00 0.00 O ATOM 534 OD2 ASP A 36 15.869 -13.490 -1.789 1.00 0.00 O ATOM 0 H ASP A 36 13.018 -11.040 -3.791 1.00 0.00 H new ATOM 0 HA ASP A 36 12.084 -12.639 -2.561 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.289 -11.994 -0.560 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.244 -13.398 -0.477 1.00 0.00 H new ATOM 539 N THR A 37 10.847 -10.366 -1.462 1.00 0.00 N ATOM 540 CA THR A 37 9.867 -9.674 -0.634 1.00 0.00 C ATOM 541 C THR A 37 8.615 -9.331 -1.434 1.00 0.00 C ATOM 542 O THR A 37 8.697 -8.738 -2.510 1.00 0.00 O ATOM 543 CB THR A 37 10.451 -8.379 -0.037 1.00 0.00 C ATOM 544 OG1 THR A 37 11.640 -8.675 0.704 1.00 0.00 O ATOM 545 CG2 THR A 37 9.438 -7.697 0.870 1.00 0.00 C ATOM 0 H THR A 37 10.852 -10.077 -2.440 1.00 0.00 H new ATOM 0 HA THR A 37 9.602 -10.353 0.177 1.00 0.00 H new ATOM 0 HB THR A 37 10.693 -7.703 -0.857 1.00 0.00 H new ATOM 0 HG1 THR A 37 12.006 -7.847 1.079 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.872 -6.785 1.280 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.546 -7.448 0.296 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.169 -8.369 1.685 1.00 0.00 H new ATOM 553 N ASP A 38 7.458 -9.708 -0.902 1.00 0.00 N ATOM 554 CA ASP A 38 6.188 -9.439 -1.566 1.00 0.00 C ATOM 555 C ASP A 38 5.629 -8.084 -1.143 1.00 0.00 C ATOM 556 O ASP A 38 5.975 -7.563 -0.083 1.00 0.00 O ATOM 557 CB ASP A 38 5.178 -10.543 -1.248 1.00 0.00 C ATOM 558 CG ASP A 38 5.558 -11.872 -1.870 1.00 0.00 C ATOM 559 OD1 ASP A 38 6.563 -12.468 -1.428 1.00 0.00 O ATOM 560 OD2 ASP A 38 4.851 -12.317 -2.797 1.00 0.00 O ATOM 0 H ASP A 38 7.373 -10.201 -0.013 1.00 0.00 H new ATOM 0 HA ASP A 38 6.366 -9.418 -2.641 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.100 -10.660 -0.167 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.193 -10.245 -1.608 1.00 0.00 H new ATOM 565 N GLY A 39 4.765 -7.518 -1.979 1.00 0.00 N ATOM 566 CA GLY A 39 4.174 -6.228 -1.675 1.00 0.00 C ATOM 567 C GLY A 39 5.171 -5.092 -1.787 1.00 0.00 C ATOM 568 O GLY A 39 6.380 -5.307 -1.698 1.00 0.00 O ATOM 0 H GLY A 39 4.463 -7.930 -2.862 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.341 -6.044 -2.354 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.764 -6.249 -0.665 1.00 0.00 H new ATOM 572 N HIS A 40 4.665 -3.879 -1.986 1.00 0.00 N ATOM 573 CA HIS A 40 5.520 -2.705 -2.112 1.00 0.00 C ATOM 574 C HIS A 40 5.891 -2.153 -0.739 1.00 0.00 C ATOM 575 O HIS A 40 5.034 -1.995 0.131 1.00 0.00 O ATOM 576 CB HIS A 40 4.820 -1.624 -2.936 1.00 0.00 C ATOM 577 CG HIS A 40 4.859 -1.878 -4.412 1.00 0.00 C ATOM 578 ND1 HIS A 40 5.830 -1.356 -5.240 1.00 0.00 N ATOM 579 CD2 HIS A 40 4.039 -2.604 -5.207 1.00 0.00 C ATOM 580 CE1 HIS A 40 5.605 -1.749 -6.481 1.00 0.00 C ATOM 581 NE2 HIS A 40 4.524 -2.508 -6.488 1.00 0.00 N ATOM 0 H HIS A 40 3.667 -3.684 -2.063 1.00 0.00 H new ATOM 0 HA HIS A 40 6.435 -3.006 -2.623 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.781 -1.550 -2.616 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.287 -0.661 -2.729 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.166 -3.156 -4.892 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.203 -1.493 -7.343 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.116 -2.951 -7.311 1.00 0.00 H new ATOM 590 N LEU A 41 7.174 -1.862 -0.551 1.00 0.00 N ATOM 591 CA LEU A 41 7.659 -1.328 0.717 1.00 0.00 C ATOM 592 C LEU A 41 7.957 0.163 0.602 1.00 0.00 C ATOM 593 O LEU A 41 8.474 0.626 -0.415 1.00 0.00 O ATOM 594 CB LEU A 41 8.917 -2.078 1.161 1.00 0.00 C ATOM 595 CG LEU A 41 8.706 -3.512 1.649 1.00 0.00 C ATOM 596 CD1 LEU A 41 9.996 -4.309 1.533 1.00 0.00 C ATOM 597 CD2 LEU A 41 8.200 -3.518 3.084 1.00 0.00 C ATOM 0 H LEU A 41 7.897 -1.987 -1.260 1.00 0.00 H new ATOM 0 HA LEU A 41 6.877 -1.467 1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.617 -2.099 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.392 -1.509 1.961 1.00 0.00 H new ATOM 0 HG LEU A 41 7.953 -3.984 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.828 -5.327 1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.316 -4.333 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.770 -3.839 2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.055 -4.547 3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.930 -3.029 3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.252 -2.983 3.138 1.00 0.00 H new ATOM 609 N ILE A 42 7.628 0.910 1.651 1.00 0.00 N ATOM 610 CA ILE A 42 7.863 2.348 1.669 1.00 0.00 C ATOM 611 C ILE A 42 9.220 2.676 2.283 1.00 0.00 C ATOM 612 O ILE A 42 9.432 2.488 3.481 1.00 0.00 O ATOM 613 CB ILE A 42 6.764 3.089 2.453 1.00 0.00 C ATOM 614 CG1 ILE A 42 5.454 3.086 1.664 1.00 0.00 C ATOM 615 CG2 ILE A 42 7.201 4.513 2.760 1.00 0.00 C ATOM 616 CD1 ILE A 42 4.585 1.878 1.940 1.00 0.00 C ATOM 0 H ILE A 42 7.198 0.542 2.500 1.00 0.00 H new ATOM 0 HA ILE A 42 7.846 2.683 0.632 1.00 0.00 H new ATOM 0 HB ILE A 42 6.598 2.569 3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.893 3.989 1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.681 3.125 0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.414 5.024 3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.112 4.493 3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.391 5.044 1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.673 1.943 1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.128 0.971 1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.328 1.849 2.999 1.00 0.00 H new ATOM 628 N ARG A 43 10.135 3.169 1.455 1.00 0.00 N ATOM 629 CA ARG A 43 11.471 3.524 1.917 1.00 0.00 C ATOM 630 C ARG A 43 11.832 4.945 1.496 1.00 0.00 C ATOM 631 O ARG A 43 11.139 5.559 0.684 1.00 0.00 O ATOM 632 CB ARG A 43 12.504 2.539 1.364 1.00 0.00 C ATOM 633 CG ARG A 43 13.712 2.353 2.267 1.00 0.00 C ATOM 634 CD ARG A 43 14.470 1.079 1.928 1.00 0.00 C ATOM 635 NE ARG A 43 13.959 -0.074 2.665 1.00 0.00 N ATOM 636 CZ ARG A 43 14.288 -0.347 3.922 1.00 0.00 C ATOM 637 NH1 ARG A 43 15.123 0.446 4.580 1.00 0.00 N ATOM 638 NH2 ARG A 43 13.781 -1.415 4.525 1.00 0.00 N ATOM 0 H ARG A 43 9.975 3.332 0.461 1.00 0.00 H new ATOM 0 HA ARG A 43 11.477 3.473 3.006 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.025 1.572 1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.841 2.889 0.388 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.377 3.211 2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.388 2.319 3.307 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.396 0.887 0.858 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.527 1.215 2.155 1.00 0.00 H new ATOM 0 HE ARG A 43 13.314 -0.704 2.188 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.514 1.268 4.120 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.374 0.234 5.546 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.138 -2.027 4.023 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.034 -1.624 5.491 1.00 0.00 H new ATOM 652 N VAL A 44 12.922 5.464 2.054 1.00 0.00 N ATOM 653 CA VAL A 44 13.375 6.813 1.736 1.00 0.00 C ATOM 654 C VAL A 44 12.392 7.859 2.251 1.00 0.00 C ATOM 655 O VAL A 44 11.923 8.709 1.494 1.00 0.00 O ATOM 656 CB VAL A 44 13.560 7.000 0.219 1.00 0.00 C ATOM 657 CG1 VAL A 44 14.194 8.350 -0.079 1.00 0.00 C ATOM 658 CG2 VAL A 44 14.396 5.869 -0.359 1.00 0.00 C ATOM 0 H VAL A 44 13.507 4.971 2.728 1.00 0.00 H new ATOM 0 HA VAL A 44 14.337 6.949 2.231 1.00 0.00 H new ATOM 0 HB VAL A 44 12.579 6.974 -0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.317 8.464 -1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.552 9.145 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.168 8.409 0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.517 6.017 -1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.376 5.860 0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.896 4.918 -0.178 1.00 0.00 H new ATOM 668 N ILE A 45 12.086 7.790 3.542 1.00 0.00 N ATOM 669 CA ILE A 45 11.159 8.732 4.158 1.00 0.00 C ATOM 670 C ILE A 45 11.905 9.899 4.795 1.00 0.00 C ATOM 671 O ILE A 45 12.565 9.740 5.821 1.00 0.00 O ATOM 672 CB ILE A 45 10.289 8.048 5.228 1.00 0.00 C ATOM 673 CG1 ILE A 45 9.560 6.843 4.631 1.00 0.00 C ATOM 674 CG2 ILE A 45 9.295 9.038 5.815 1.00 0.00 C ATOM 675 CD1 ILE A 45 8.894 5.964 5.667 1.00 0.00 C ATOM 0 H ILE A 45 12.466 7.092 4.182 1.00 0.00 H new ATOM 0 HA ILE A 45 10.514 9.106 3.363 1.00 0.00 H new ATOM 0 HB ILE A 45 10.937 7.695 6.030 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.806 7.197 3.928 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.271 6.244 4.061 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.687 8.539 6.570 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.835 9.867 6.273 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.650 9.419 5.023 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.397 5.130 5.171 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.646 5.580 6.356 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.158 6.548 6.221 1.00 0.00 H new ATOM 687 N GLU A 46 11.795 11.072 4.179 1.00 0.00 N ATOM 688 CA GLU A 46 12.458 12.267 4.688 1.00 0.00 C ATOM 689 C GLU A 46 11.705 12.840 5.885 1.00 0.00 C ATOM 690 O GLU A 46 10.510 12.600 6.052 1.00 0.00 O ATOM 691 CB GLU A 46 12.568 13.324 3.587 1.00 0.00 C ATOM 692 CG GLU A 46 13.395 14.535 3.986 1.00 0.00 C ATOM 693 CD GLU A 46 14.843 14.184 4.267 1.00 0.00 C ATOM 694 OE1 GLU A 46 15.615 14.026 3.298 1.00 0.00 O ATOM 695 OE2 GLU A 46 15.205 14.069 5.457 1.00 0.00 O ATOM 0 H GLU A 46 11.253 11.220 3.327 1.00 0.00 H new ATOM 0 HA GLU A 46 13.460 11.985 5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.010 12.869 2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.567 13.654 3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.353 15.278 3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.957 14.993 4.873 1.00 0.00 H new ATOM 702 N GLU A 47 12.415 13.598 6.715 1.00 0.00 N ATOM 703 CA GLU A 47 11.814 14.204 7.898 1.00 0.00 C ATOM 704 C GLU A 47 11.094 15.500 7.538 1.00 0.00 C ATOM 705 O GLU A 47 11.674 16.397 6.928 1.00 0.00 O ATOM 706 CB GLU A 47 12.884 14.478 8.957 1.00 0.00 C ATOM 707 CG GLU A 47 12.314 14.793 10.330 1.00 0.00 C ATOM 708 CD GLU A 47 13.351 15.370 11.274 1.00 0.00 C ATOM 709 OE1 GLU A 47 13.908 16.442 10.960 1.00 0.00 O ATOM 710 OE2 GLU A 47 13.605 14.748 12.327 1.00 0.00 O ATOM 0 H GLU A 47 13.406 13.807 6.590 1.00 0.00 H new ATOM 0 HA GLU A 47 11.084 13.504 8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.537 13.609 9.035 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.502 15.314 8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.491 15.500 10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.899 13.884 10.764 1.00 0.00 H new ATOM 717 N GLY A 48 9.824 15.590 7.922 1.00 0.00 N ATOM 718 CA GLY A 48 9.044 16.779 7.631 1.00 0.00 C ATOM 719 C GLY A 48 8.402 16.731 6.259 1.00 0.00 C ATOM 720 O GLY A 48 8.202 17.765 5.622 1.00 0.00 O ATOM 0 H GLY A 48 9.322 14.861 8.429 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.268 16.895 8.388 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.687 17.657 7.697 1.00 0.00 H new ATOM 724 N SER A 49 8.079 15.525 5.801 1.00 0.00 N ATOM 725 CA SER A 49 7.460 15.345 4.493 1.00 0.00 C ATOM 726 C SER A 49 5.991 14.960 4.635 1.00 0.00 C ATOM 727 O SER A 49 5.569 14.376 5.633 1.00 0.00 O ATOM 728 CB SER A 49 8.206 14.272 3.696 1.00 0.00 C ATOM 729 OG SER A 49 8.172 13.024 4.366 1.00 0.00 O ATOM 0 H SER A 49 8.236 14.659 6.316 1.00 0.00 H new ATOM 0 HA SER A 49 7.519 16.292 3.957 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.757 14.170 2.708 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.241 14.580 3.546 1.00 0.00 H new ATOM 0 HG SER A 49 8.976 12.927 4.917 1.00 0.00 H new ATOM 735 N PRO A 50 5.191 15.294 3.611 1.00 0.00 N ATOM 736 CA PRO A 50 3.756 14.994 3.597 1.00 0.00 C ATOM 737 C PRO A 50 3.478 13.501 3.455 1.00 0.00 C ATOM 738 O PRO A 50 2.340 13.056 3.596 1.00 0.00 O ATOM 739 CB PRO A 50 3.247 15.752 2.369 1.00 0.00 C ATOM 740 CG PRO A 50 4.435 15.872 1.478 1.00 0.00 C ATOM 741 CD PRO A 50 5.625 15.992 2.389 1.00 0.00 C ATOM 0 HA PRO A 50 3.269 15.287 4.527 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.437 15.212 1.878 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.857 16.732 2.643 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.526 15.001 0.830 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.350 16.744 0.830 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.511 15.529 1.955 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.875 17.034 2.589 1.00 0.00 H new ATOM 749 N ALA A 51 4.526 12.733 3.174 1.00 0.00 N ATOM 750 CA ALA A 51 4.394 11.290 3.015 1.00 0.00 C ATOM 751 C ALA A 51 4.441 10.582 4.365 1.00 0.00 C ATOM 752 O ALA A 51 3.927 9.474 4.512 1.00 0.00 O ATOM 753 CB ALA A 51 5.488 10.758 2.100 1.00 0.00 C ATOM 0 H ALA A 51 5.475 13.086 3.052 1.00 0.00 H new ATOM 0 HA ALA A 51 3.424 11.087 2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.378 9.679 1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.407 11.233 1.122 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.464 10.981 2.532 1.00 0.00 H new ATOM 759 N GLU A 52 5.060 11.230 5.346 1.00 0.00 N ATOM 760 CA GLU A 52 5.175 10.661 6.684 1.00 0.00 C ATOM 761 C GLU A 52 4.023 11.122 7.572 1.00 0.00 C ATOM 762 O GLU A 52 3.467 10.340 8.345 1.00 0.00 O ATOM 763 CB GLU A 52 6.511 11.054 7.318 1.00 0.00 C ATOM 764 CG GLU A 52 6.812 10.315 8.611 1.00 0.00 C ATOM 765 CD GLU A 52 8.288 10.326 8.958 1.00 0.00 C ATOM 766 OE1 GLU A 52 8.877 11.426 9.008 1.00 0.00 O ATOM 767 OE2 GLU A 52 8.854 9.235 9.180 1.00 0.00 O ATOM 0 H GLU A 52 5.490 12.149 5.240 1.00 0.00 H new ATOM 0 HA GLU A 52 5.130 9.576 6.594 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.312 10.862 6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.509 12.126 7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.248 10.770 9.425 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.471 9.284 8.524 1.00 0.00 H new ATOM 774 N LYS A 53 3.668 12.397 7.456 1.00 0.00 N ATOM 775 CA LYS A 53 2.583 12.965 8.247 1.00 0.00 C ATOM 776 C LYS A 53 1.384 12.022 8.282 1.00 0.00 C ATOM 777 O LYS A 53 0.563 12.081 9.196 1.00 0.00 O ATOM 778 CB LYS A 53 2.162 14.320 7.674 1.00 0.00 C ATOM 779 CG LYS A 53 1.459 14.221 6.331 1.00 0.00 C ATOM 780 CD LYS A 53 0.687 15.490 6.010 1.00 0.00 C ATOM 781 CE LYS A 53 -0.723 15.442 6.577 1.00 0.00 C ATOM 782 NZ LYS A 53 -1.540 14.370 5.943 1.00 0.00 N ATOM 0 H LYS A 53 4.117 13.057 6.821 1.00 0.00 H new ATOM 0 HA LYS A 53 2.944 13.104 9.266 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.501 14.816 8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.045 14.950 7.567 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.194 14.033 5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.777 13.371 6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.215 16.352 6.418 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.642 15.626 4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.676 15.274 7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.208 16.406 6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.547 14.622 5.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.264 14.267 4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.380 13.471 6.441 1.00 0.00 H new ATOM 796 N ALA A 54 1.293 11.151 7.282 1.00 0.00 N ATOM 797 CA ALA A 54 0.197 10.193 7.200 1.00 0.00 C ATOM 798 C ALA A 54 0.535 8.909 7.949 1.00 0.00 C ATOM 799 O ALA A 54 0.089 7.825 7.574 1.00 0.00 O ATOM 800 CB ALA A 54 -0.131 9.889 5.746 1.00 0.00 C ATOM 0 H ALA A 54 1.965 11.089 6.517 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.679 10.638 7.672 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.951 9.172 5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.424 10.808 5.239 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.747 9.468 5.255 1.00 0.00 H new ATOM 806 N GLY A 55 1.326 9.037 9.010 1.00 0.00 N ATOM 807 CA GLY A 55 1.711 7.878 9.793 1.00 0.00 C ATOM 808 C GLY A 55 2.474 6.854 8.977 1.00 0.00 C ATOM 809 O GLY A 55 2.602 5.697 9.381 1.00 0.00 O ATOM 0 H GLY A 55 1.707 9.923 9.341 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.326 8.199 10.634 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.818 7.413 10.211 1.00 0.00 H new ATOM 813 N LEU A 56 2.980 7.276 7.824 1.00 0.00 N ATOM 814 CA LEU A 56 3.733 6.387 6.947 1.00 0.00 C ATOM 815 C LEU A 56 5.119 6.104 7.518 1.00 0.00 C ATOM 816 O LEU A 56 5.947 7.007 7.644 1.00 0.00 O ATOM 817 CB LEU A 56 3.860 7.001 5.552 1.00 0.00 C ATOM 818 CG LEU A 56 3.951 6.012 4.389 1.00 0.00 C ATOM 819 CD1 LEU A 56 2.584 5.416 4.087 1.00 0.00 C ATOM 820 CD2 LEU A 56 4.523 6.692 3.154 1.00 0.00 C ATOM 0 H LEU A 56 2.882 8.229 7.474 1.00 0.00 H new ATOM 0 HA LEU A 56 3.190 5.444 6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.001 7.651 5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.747 7.634 5.535 1.00 0.00 H new ATOM 0 HG LEU A 56 4.622 5.203 4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.668 4.715 3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.213 4.892 4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.891 6.213 3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.580 5.973 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.878 7.521 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.521 7.070 3.376 1.00 0.00 H new ATOM 832 N LEU A 57 5.366 4.844 7.861 1.00 0.00 N ATOM 833 CA LEU A 57 6.653 4.441 8.417 1.00 0.00 C ATOM 834 C LEU A 57 7.435 3.593 7.420 1.00 0.00 C ATOM 835 O LEU A 57 6.884 3.119 6.426 1.00 0.00 O ATOM 836 CB LEU A 57 6.448 3.661 9.717 1.00 0.00 C ATOM 837 CG LEU A 57 6.272 4.500 10.983 1.00 0.00 C ATOM 838 CD1 LEU A 57 7.510 5.345 11.240 1.00 0.00 C ATOM 839 CD2 LEU A 57 5.037 5.382 10.871 1.00 0.00 C ATOM 0 H LEU A 57 4.692 4.084 7.764 1.00 0.00 H new ATOM 0 HA LEU A 57 7.228 5.343 8.629 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.570 3.026 9.601 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.303 3.000 9.859 1.00 0.00 H new ATOM 0 HG LEU A 57 6.136 3.824 11.827 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.366 5.935 12.145 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.375 4.694 11.365 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.677 6.012 10.394 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.928 5.972 11.781 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.143 6.050 10.016 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.154 4.757 10.736 1.00 0.00 H new ATOM 851 N ASP A 58 8.722 3.404 7.693 1.00 0.00 N ATOM 852 CA ASP A 58 9.580 2.609 6.821 1.00 0.00 C ATOM 853 C ASP A 58 9.402 1.119 7.095 1.00 0.00 C ATOM 854 O ASP A 58 9.545 0.665 8.229 1.00 0.00 O ATOM 855 CB ASP A 58 11.044 3.005 7.014 1.00 0.00 C ATOM 856 CG ASP A 58 11.704 2.246 8.148 1.00 0.00 C ATOM 857 OD1 ASP A 58 11.440 2.585 9.321 1.00 0.00 O ATOM 858 OD2 ASP A 58 12.486 1.314 7.864 1.00 0.00 O ATOM 0 H ASP A 58 9.194 3.790 8.511 1.00 0.00 H new ATOM 0 HA ASP A 58 9.291 2.806 5.789 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.592 2.821 6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.105 4.075 7.213 1.00 0.00 H new ATOM 863 N GLY A 59 9.087 0.363 6.047 1.00 0.00 N ATOM 864 CA GLY A 59 8.894 -1.067 6.196 1.00 0.00 C ATOM 865 C GLY A 59 7.432 -1.464 6.136 1.00 0.00 C ATOM 866 O GLY A 59 7.056 -2.546 6.586 1.00 0.00 O ATOM 0 H GLY A 59 8.962 0.716 5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.441 -1.588 5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.316 -1.390 7.147 1.00 0.00 H new ATOM 870 N ASP A 60 6.605 -0.586 5.579 1.00 0.00 N ATOM 871 CA ASP A 60 5.175 -0.849 5.462 1.00 0.00 C ATOM 872 C ASP A 60 4.839 -1.419 4.088 1.00 0.00 C ATOM 873 O ASP A 60 5.466 -1.067 3.089 1.00 0.00 O ATOM 874 CB ASP A 60 4.377 0.432 5.706 1.00 0.00 C ATOM 875 CG ASP A 60 4.559 0.969 7.112 1.00 0.00 C ATOM 876 OD1 ASP A 60 4.901 0.173 8.012 1.00 0.00 O ATOM 877 OD2 ASP A 60 4.360 2.185 7.313 1.00 0.00 O ATOM 0 H ASP A 60 6.900 0.314 5.201 1.00 0.00 H new ATOM 0 HA ASP A 60 4.903 -1.586 6.218 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.686 1.191 4.988 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.319 0.237 5.529 1.00 0.00 H new ATOM 882 N ARG A 61 3.846 -2.302 4.046 1.00 0.00 N ATOM 883 CA ARG A 61 3.428 -2.922 2.795 1.00 0.00 C ATOM 884 C ARG A 61 2.053 -2.415 2.369 1.00 0.00 C ATOM 885 O ARG A 61 1.099 -2.448 3.147 1.00 0.00 O ATOM 886 CB ARG A 61 3.398 -4.445 2.941 1.00 0.00 C ATOM 887 CG ARG A 61 4.761 -5.099 2.779 1.00 0.00 C ATOM 888 CD ARG A 61 5.489 -5.204 4.110 1.00 0.00 C ATOM 889 NE ARG A 61 6.586 -6.167 4.059 1.00 0.00 N ATOM 890 CZ ARG A 61 7.505 -6.286 5.011 1.00 0.00 C ATOM 891 NH1 ARG A 61 7.459 -5.505 6.082 1.00 0.00 N ATOM 892 NH2 ARG A 61 8.472 -7.187 4.893 1.00 0.00 N ATOM 0 H ARG A 61 3.317 -2.604 4.864 1.00 0.00 H new ATOM 0 HA ARG A 61 4.151 -2.651 2.026 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.996 -4.700 3.922 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.715 -4.859 2.199 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.640 -6.093 2.350 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.363 -4.520 2.078 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.879 -4.225 4.388 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.784 -5.499 4.887 1.00 0.00 H new ATOM 0 HE ARG A 61 6.650 -6.782 3.248 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.717 -4.811 6.176 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.166 -5.598 6.812 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.510 -7.789 4.071 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.177 -7.277 5.625 1.00 0.00 H new ATOM 906 N VAL A 62 1.959 -1.945 1.129 1.00 0.00 N ATOM 907 CA VAL A 62 0.702 -1.431 0.599 1.00 0.00 C ATOM 908 C VAL A 62 -0.056 -2.512 -0.163 1.00 0.00 C ATOM 909 O VAL A 62 0.466 -3.103 -1.108 1.00 0.00 O ATOM 910 CB VAL A 62 0.936 -0.228 -0.335 1.00 0.00 C ATOM 911 CG1 VAL A 62 2.092 -0.507 -1.284 1.00 0.00 C ATOM 912 CG2 VAL A 62 -0.332 0.100 -1.108 1.00 0.00 C ATOM 0 H VAL A 62 2.739 -1.910 0.473 1.00 0.00 H new ATOM 0 HA VAL A 62 0.107 -1.108 1.453 1.00 0.00 H new ATOM 0 HB VAL A 62 1.197 0.638 0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.243 0.353 -1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.999 -0.690 -0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.863 -1.385 -1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.149 0.952 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.626 -0.762 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.131 0.345 -0.409 1.00 0.00 H new ATOM 922 N LEU A 63 -1.291 -2.766 0.255 1.00 0.00 N ATOM 923 CA LEU A 63 -2.124 -3.776 -0.389 1.00 0.00 C ATOM 924 C LEU A 63 -2.762 -3.227 -1.661 1.00 0.00 C ATOM 925 O LEU A 63 -2.573 -3.773 -2.748 1.00 0.00 O ATOM 926 CB LEU A 63 -3.211 -4.258 0.574 1.00 0.00 C ATOM 927 CG LEU A 63 -2.721 -4.910 1.867 1.00 0.00 C ATOM 928 CD1 LEU A 63 -3.720 -4.681 2.991 1.00 0.00 C ATOM 929 CD2 LEU A 63 -2.482 -6.398 1.658 1.00 0.00 C ATOM 0 H LEU A 63 -1.738 -2.287 1.037 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.487 -4.618 -0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.840 -3.407 0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.844 -4.972 0.048 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.775 -4.448 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.355 -5.152 3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.841 -3.611 3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.681 -5.116 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.134 -6.845 2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.412 -6.876 1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.729 -6.540 0.883 1.00 0.00 H new ATOM 941 N ARG A 64 -3.516 -2.142 -1.517 1.00 0.00 N ATOM 942 CA ARG A 64 -4.181 -1.518 -2.655 1.00 0.00 C ATOM 943 C ARG A 64 -3.814 -0.040 -2.755 1.00 0.00 C ATOM 944 O ARG A 64 -3.670 0.644 -1.741 1.00 0.00 O ATOM 945 CB ARG A 64 -5.698 -1.670 -2.532 1.00 0.00 C ATOM 946 CG ARG A 64 -6.156 -3.113 -2.393 1.00 0.00 C ATOM 947 CD ARG A 64 -7.541 -3.318 -2.987 1.00 0.00 C ATOM 948 NE ARG A 64 -8.000 -4.697 -2.843 1.00 0.00 N ATOM 949 CZ ARG A 64 -8.908 -5.256 -3.635 1.00 0.00 C ATOM 950 NH1 ARG A 64 -9.451 -4.557 -4.623 1.00 0.00 N ATOM 951 NH2 ARG A 64 -9.274 -6.516 -3.440 1.00 0.00 N ATOM 0 H ARG A 64 -3.682 -1.677 -0.624 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.844 -2.021 -3.562 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.043 -1.103 -1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.171 -1.230 -3.410 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.444 -3.771 -2.891 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.166 -3.393 -1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.248 -2.648 -2.498 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.526 -3.050 -4.043 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.601 -5.262 -2.093 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.171 -3.588 -4.776 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.148 -4.988 -5.230 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.858 -7.056 -2.681 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.971 -6.945 -4.049 1.00 0.00 H new ATOM 965 N ILE A 65 -3.664 0.445 -3.983 1.00 0.00 N ATOM 966 CA ILE A 65 -3.315 1.841 -4.215 1.00 0.00 C ATOM 967 C ILE A 65 -4.513 2.628 -4.734 1.00 0.00 C ATOM 968 O ILE A 65 -5.172 2.218 -5.689 1.00 0.00 O ATOM 969 CB ILE A 65 -2.155 1.971 -5.220 1.00 0.00 C ATOM 970 CG1 ILE A 65 -1.339 3.233 -4.930 1.00 0.00 C ATOM 971 CG2 ILE A 65 -2.688 1.994 -6.645 1.00 0.00 C ATOM 972 CD1 ILE A 65 -2.161 4.503 -4.957 1.00 0.00 C ATOM 0 H ILE A 65 -3.779 -0.108 -4.832 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.002 2.252 -3.255 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.501 1.105 -5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.869 3.135 -3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.536 3.314 -5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.856 2.086 -7.343 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.230 1.070 -6.846 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.361 2.843 -6.768 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.518 5.357 -4.743 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.610 4.625 -5.943 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.947 4.443 -4.205 1.00 0.00 H new ATOM 984 N ASN A 66 -4.788 3.763 -4.100 1.00 0.00 N ATOM 985 CA ASN A 66 -5.906 4.610 -4.499 1.00 0.00 C ATOM 986 C ASN A 66 -7.147 3.771 -4.788 1.00 0.00 C ATOM 987 O ASN A 66 -7.987 4.148 -5.604 1.00 0.00 O ATOM 988 CB ASN A 66 -5.535 5.434 -5.733 1.00 0.00 C ATOM 989 CG ASN A 66 -6.381 6.685 -5.870 1.00 0.00 C ATOM 990 OD1 ASN A 66 -6.019 7.727 -5.130 1.00 0.00 O flip ATOM 991 ND2 ASN A 66 -7.348 6.713 -6.631 1.00 0.00 N flip ATOM 0 H ASN A 66 -4.252 4.117 -3.308 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.130 5.286 -3.674 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.483 5.715 -5.676 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.653 4.820 -6.626 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.589 5.888 -7.180 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.909 7.561 -6.712 1.00 0.00 H new ATOM 998 N GLY A 67 -7.256 2.632 -4.112 1.00 0.00 N ATOM 999 CA GLY A 67 -8.397 1.758 -4.309 1.00 0.00 C ATOM 1000 C GLY A 67 -8.207 0.811 -5.478 1.00 0.00 C ATOM 1001 O GLY A 67 -9.145 0.545 -6.230 1.00 0.00 O ATOM 0 H GLY A 67 -6.574 2.299 -3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.569 1.180 -3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.289 2.362 -4.476 1.00 0.00 H new ATOM 1005 N VAL A 68 -6.989 0.301 -5.632 1.00 0.00 N ATOM 1006 CA VAL A 68 -6.678 -0.621 -6.718 1.00 0.00 C ATOM 1007 C VAL A 68 -5.680 -1.682 -6.269 1.00 0.00 C ATOM 1008 O VAL A 68 -4.551 -1.367 -5.891 1.00 0.00 O ATOM 1009 CB VAL A 68 -6.106 0.122 -7.939 1.00 0.00 C ATOM 1010 CG1 VAL A 68 -5.705 -0.864 -9.025 1.00 0.00 C ATOM 1011 CG2 VAL A 68 -7.115 1.130 -8.469 1.00 0.00 C ATOM 0 H VAL A 68 -6.202 0.511 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.614 -1.103 -7.001 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.213 0.664 -7.627 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.303 -0.320 -9.880 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.946 -1.543 -8.637 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.578 -1.436 -9.337 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.695 1.646 -9.332 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.027 0.611 -8.765 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.348 1.856 -7.690 1.00 0.00 H new ATOM 1021 N PHE A 69 -6.102 -2.941 -6.313 1.00 0.00 N ATOM 1022 CA PHE A 69 -5.245 -4.050 -5.910 1.00 0.00 C ATOM 1023 C PHE A 69 -3.942 -4.047 -6.705 1.00 0.00 C ATOM 1024 O PHE A 69 -3.936 -4.299 -7.910 1.00 0.00 O ATOM 1025 CB PHE A 69 -5.972 -5.382 -6.106 1.00 0.00 C ATOM 1026 CG PHE A 69 -5.406 -6.501 -5.280 1.00 0.00 C ATOM 1027 CD1 PHE A 69 -5.485 -6.468 -3.897 1.00 0.00 C ATOM 1028 CD2 PHE A 69 -4.796 -7.587 -5.887 1.00 0.00 C ATOM 1029 CE1 PHE A 69 -4.964 -7.496 -3.135 1.00 0.00 C ATOM 1030 CE2 PHE A 69 -4.273 -8.619 -5.129 1.00 0.00 C ATOM 1031 CZ PHE A 69 -4.359 -8.573 -3.752 1.00 0.00 C ATOM 0 H PHE A 69 -7.033 -3.219 -6.624 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.006 -3.927 -4.854 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.025 -5.252 -5.855 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.927 -5.660 -7.159 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.959 -5.629 -3.409 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.728 -7.628 -6.964 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.030 -7.457 -2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.798 -9.459 -5.614 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.953 -9.379 -3.158 1.00 0.00 H new ATOM 1041 N VAL A 70 -2.840 -3.759 -6.021 1.00 0.00 N ATOM 1042 CA VAL A 70 -1.530 -3.723 -6.661 1.00 0.00 C ATOM 1043 C VAL A 70 -0.573 -4.716 -6.012 1.00 0.00 C ATOM 1044 O VAL A 70 0.573 -4.384 -5.711 1.00 0.00 O ATOM 1045 CB VAL A 70 -0.912 -2.314 -6.596 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -1.764 -1.320 -7.370 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -0.744 -1.872 -5.150 1.00 0.00 C ATOM 0 H VAL A 70 -2.828 -3.547 -5.023 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.681 -3.998 -7.705 1.00 0.00 H new ATOM 0 HB VAL A 70 0.074 -2.348 -7.059 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.311 -0.330 -7.312 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.827 -1.630 -8.413 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.765 -1.287 -6.940 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.306 -0.874 -5.123 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.717 -1.854 -4.659 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.088 -2.570 -4.630 1.00 0.00 H new ATOM 1057 N ASP A 71 -1.052 -5.937 -5.799 1.00 0.00 N ATOM 1058 CA ASP A 71 -0.239 -6.981 -5.187 1.00 0.00 C ATOM 1059 C ASP A 71 0.725 -7.586 -6.203 1.00 0.00 C ATOM 1060 O ASP A 71 1.919 -7.726 -5.937 1.00 0.00 O ATOM 1061 CB ASP A 71 -1.132 -8.075 -4.600 1.00 0.00 C ATOM 1062 CG ASP A 71 -0.336 -9.252 -4.072 1.00 0.00 C ATOM 1063 OD1 ASP A 71 0.370 -9.898 -4.875 1.00 0.00 O ATOM 1064 OD2 ASP A 71 -0.419 -9.528 -2.857 1.00 0.00 O ATOM 0 H ASP A 71 -1.999 -6.228 -6.041 1.00 0.00 H new ATOM 0 HA ASP A 71 0.344 -6.529 -4.385 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.733 -7.655 -3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.825 -8.423 -5.365 1.00 0.00 H new ATOM 1069 N LYS A 72 0.199 -7.944 -7.369 1.00 0.00 N ATOM 1070 CA LYS A 72 1.011 -8.534 -8.427 1.00 0.00 C ATOM 1071 C LYS A 72 1.445 -7.474 -9.435 1.00 0.00 C ATOM 1072 O LYS A 72 2.426 -7.655 -10.155 1.00 0.00 O ATOM 1073 CB LYS A 72 0.231 -9.642 -9.140 1.00 0.00 C ATOM 1074 CG LYS A 72 0.245 -10.968 -8.399 1.00 0.00 C ATOM 1075 CD LYS A 72 1.528 -11.739 -8.662 1.00 0.00 C ATOM 1076 CE LYS A 72 1.528 -12.365 -10.049 1.00 0.00 C ATOM 1077 NZ LYS A 72 2.907 -12.680 -10.515 1.00 0.00 N ATOM 0 H LYS A 72 -0.787 -7.836 -7.606 1.00 0.00 H new ATOM 0 HA LYS A 72 1.903 -8.963 -7.970 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.802 -9.320 -9.273 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.650 -9.787 -10.136 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.139 -10.789 -7.329 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.611 -11.568 -8.708 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.383 -11.070 -8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.646 -12.519 -7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.932 -13.277 -10.036 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.053 -11.684 -10.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.864 -13.105 -11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.469 -11.806 -10.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.352 -13.350 -9.855 1.00 0.00 H new ATOM 1091 N GLU A 73 0.708 -6.369 -9.479 1.00 0.00 N ATOM 1092 CA GLU A 73 1.018 -5.281 -10.398 1.00 0.00 C ATOM 1093 C GLU A 73 2.483 -4.869 -10.279 1.00 0.00 C ATOM 1094 O GLU A 73 3.071 -4.937 -9.200 1.00 0.00 O ATOM 1095 CB GLU A 73 0.115 -4.077 -10.123 1.00 0.00 C ATOM 1096 CG GLU A 73 -1.337 -4.305 -10.507 1.00 0.00 C ATOM 1097 CD GLU A 73 -1.493 -4.800 -11.932 1.00 0.00 C ATOM 1098 OE1 GLU A 73 -1.539 -3.956 -12.851 1.00 0.00 O ATOM 1099 OE2 GLU A 73 -1.570 -6.031 -12.128 1.00 0.00 O ATOM 0 H GLU A 73 -0.108 -6.204 -8.889 1.00 0.00 H new ATOM 0 HA GLU A 73 0.839 -5.636 -11.413 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.167 -3.829 -9.063 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.496 -3.215 -10.671 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.780 -5.030 -9.824 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.891 -3.374 -10.387 1.00 0.00 H new ATOM 1106 N GLU A 74 3.065 -4.443 -11.396 1.00 0.00 N ATOM 1107 CA GLU A 74 4.461 -4.022 -11.417 1.00 0.00 C ATOM 1108 C GLU A 74 4.603 -2.585 -10.923 1.00 0.00 C ATOM 1109 O GLU A 74 3.610 -1.884 -10.725 1.00 0.00 O ATOM 1110 CB GLU A 74 5.033 -4.146 -12.831 1.00 0.00 C ATOM 1111 CG GLU A 74 4.915 -5.543 -13.415 1.00 0.00 C ATOM 1112 CD GLU A 74 5.346 -6.621 -12.439 1.00 0.00 C ATOM 1113 OE1 GLU A 74 6.560 -6.720 -12.162 1.00 0.00 O ATOM 1114 OE2 GLU A 74 4.469 -7.366 -11.953 1.00 0.00 O ATOM 0 H GLU A 74 2.592 -4.380 -12.297 1.00 0.00 H new ATOM 0 HA GLU A 74 5.021 -4.675 -10.748 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.517 -3.443 -13.485 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.083 -3.855 -12.816 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.882 -5.721 -13.715 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.525 -5.609 -14.316 1.00 0.00 H new ATOM 1121 N HIS A 75 5.845 -2.154 -10.725 1.00 0.00 N ATOM 1122 CA HIS A 75 6.118 -0.801 -10.253 1.00 0.00 C ATOM 1123 C HIS A 75 5.581 0.235 -11.236 1.00 0.00 C ATOM 1124 O HIS A 75 5.045 1.267 -10.833 1.00 0.00 O ATOM 1125 CB HIS A 75 7.621 -0.601 -10.055 1.00 0.00 C ATOM 1126 CG HIS A 75 8.028 0.838 -9.971 1.00 0.00 C ATOM 1127 ND1 HIS A 75 7.481 1.723 -9.066 1.00 0.00 N ATOM 1128 CD2 HIS A 75 8.936 1.544 -10.684 1.00 0.00 C ATOM 1129 CE1 HIS A 75 8.033 2.912 -9.228 1.00 0.00 C ATOM 1130 NE2 HIS A 75 8.920 2.830 -10.203 1.00 0.00 N ATOM 0 H HIS A 75 6.678 -2.722 -10.884 1.00 0.00 H new ATOM 0 HA HIS A 75 5.612 -0.667 -9.297 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.930 -1.111 -9.143 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.154 -1.073 -10.880 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.557 1.166 -11.483 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.799 3.800 -8.660 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.499 3.597 -10.543 1.00 0.00 H new ATOM 1139 N ALA A 76 5.728 -0.047 -12.526 1.00 0.00 N ATOM 1140 CA ALA A 76 5.257 0.860 -13.565 1.00 0.00 C ATOM 1141 C ALA A 76 3.740 1.010 -13.516 1.00 0.00 C ATOM 1142 O ALA A 76 3.201 2.065 -13.849 1.00 0.00 O ATOM 1143 CB ALA A 76 5.696 0.366 -14.935 1.00 0.00 C ATOM 0 H ALA A 76 6.170 -0.897 -12.877 1.00 0.00 H new ATOM 0 HA ALA A 76 5.699 1.840 -13.385 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.337 1.053 -15.702 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.784 0.317 -14.972 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.281 -0.626 -15.114 1.00 0.00 H new ATOM 1149 N GLN A 77 3.058 -0.052 -13.100 1.00 0.00 N ATOM 1150 CA GLN A 77 1.603 -0.038 -13.009 1.00 0.00 C ATOM 1151 C GLN A 77 1.139 0.828 -11.842 1.00 0.00 C ATOM 1152 O GLN A 77 0.234 1.650 -11.987 1.00 0.00 O ATOM 1153 CB GLN A 77 1.067 -1.461 -12.848 1.00 0.00 C ATOM 1154 CG GLN A 77 1.122 -2.280 -14.128 1.00 0.00 C ATOM 1155 CD GLN A 77 -0.007 -1.946 -15.083 1.00 0.00 C ATOM 1156 OE1 GLN A 77 0.313 -1.218 -16.147 1.00 0.00 O flip ATOM 1157 NE2 GLN A 77 -1.154 -2.338 -14.868 1.00 0.00 N flip ATOM 0 H GLN A 77 3.490 -0.933 -12.821 1.00 0.00 H new ATOM 0 HA GLN A 77 1.211 0.388 -13.932 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.641 -1.971 -12.075 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.035 -1.415 -12.500 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.077 -2.107 -14.625 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.080 -3.340 -13.879 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.355 -2.895 -14.038 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.903 -2.106 -15.520 1.00 0.00 H new ATOM 1166 N VAL A 78 1.764 0.637 -10.684 1.00 0.00 N ATOM 1167 CA VAL A 78 1.415 1.400 -9.492 1.00 0.00 C ATOM 1168 C VAL A 78 1.799 2.867 -9.648 1.00 0.00 C ATOM 1169 O VAL A 78 0.946 3.753 -9.594 1.00 0.00 O ATOM 1170 CB VAL A 78 2.106 0.830 -8.239 1.00 0.00 C ATOM 1171 CG1 VAL A 78 1.761 1.664 -7.014 1.00 0.00 C ATOM 1172 CG2 VAL A 78 1.715 -0.625 -8.031 1.00 0.00 C ATOM 0 H VAL A 78 2.515 -0.040 -10.547 1.00 0.00 H new ATOM 0 HA VAL A 78 0.335 1.321 -9.370 1.00 0.00 H new ATOM 0 HB VAL A 78 3.185 0.875 -8.388 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.258 1.247 -6.138 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.095 2.690 -7.166 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.682 1.653 -6.859 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.212 -1.012 -7.141 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.635 -0.697 -7.903 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.017 -1.211 -8.899 1.00 0.00 H new ATOM 1182 N VAL A 79 3.090 3.118 -9.842 1.00 0.00 N ATOM 1183 CA VAL A 79 3.588 4.479 -10.007 1.00 0.00 C ATOM 1184 C VAL A 79 2.581 5.346 -10.753 1.00 0.00 C ATOM 1185 O VAL A 79 2.324 6.486 -10.369 1.00 0.00 O ATOM 1186 CB VAL A 79 4.928 4.498 -10.767 1.00 0.00 C ATOM 1187 CG1 VAL A 79 4.742 3.987 -12.188 1.00 0.00 C ATOM 1188 CG2 VAL A 79 5.519 5.899 -10.769 1.00 0.00 C ATOM 0 H VAL A 79 3.810 2.397 -9.889 1.00 0.00 H new ATOM 0 HA VAL A 79 3.740 4.884 -9.006 1.00 0.00 H new ATOM 0 HB VAL A 79 5.626 3.835 -10.256 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.699 4.007 -12.710 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.365 2.965 -12.161 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.029 4.623 -12.713 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.465 5.894 -11.310 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.826 6.585 -11.256 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.690 6.223 -9.742 1.00 0.00 H new ATOM 1198 N GLU A 80 2.012 4.797 -11.822 1.00 0.00 N ATOM 1199 CA GLU A 80 1.032 5.521 -12.622 1.00 0.00 C ATOM 1200 C GLU A 80 -0.236 5.790 -11.817 1.00 0.00 C ATOM 1201 O GLU A 80 -0.694 6.930 -11.720 1.00 0.00 O ATOM 1202 CB GLU A 80 0.688 4.731 -13.887 1.00 0.00 C ATOM 1203 CG GLU A 80 -0.422 5.357 -14.713 1.00 0.00 C ATOM 1204 CD GLU A 80 -0.706 4.587 -15.988 1.00 0.00 C ATOM 1205 OE1 GLU A 80 0.206 4.486 -16.835 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -1.840 4.085 -16.139 1.00 0.00 O ATOM 0 H GLU A 80 2.213 3.854 -12.153 1.00 0.00 H new ATOM 0 HA GLU A 80 1.470 6.477 -12.908 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.582 4.642 -14.504 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.393 3.720 -13.605 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.331 5.408 -14.114 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.149 6.382 -14.965 1.00 0.00 H new ATOM 1213 N LEU A 81 -0.800 4.734 -11.242 1.00 0.00 N ATOM 1214 CA LEU A 81 -2.016 4.854 -10.445 1.00 0.00 C ATOM 1215 C LEU A 81 -1.864 5.935 -9.379 1.00 0.00 C ATOM 1216 O LEU A 81 -2.799 6.687 -9.105 1.00 0.00 O ATOM 1217 CB LEU A 81 -2.351 3.515 -9.785 1.00 0.00 C ATOM 1218 CG LEU A 81 -2.699 2.368 -10.734 1.00 0.00 C ATOM 1219 CD1 LEU A 81 -2.296 1.033 -10.128 1.00 0.00 C ATOM 1220 CD2 LEU A 81 -4.185 2.379 -11.063 1.00 0.00 C ATOM 0 H LEU A 81 -0.435 3.784 -11.313 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.831 5.138 -11.111 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.500 3.210 -9.175 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.191 3.667 -9.107 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.141 2.507 -11.660 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.551 0.228 -10.818 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.222 1.026 -9.945 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.826 0.886 -9.187 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.414 1.556 -11.740 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.762 2.266 -10.145 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.445 3.324 -11.540 1.00 0.00 H new ATOM 1232 N VAL A 82 -0.678 6.008 -8.783 1.00 0.00 N ATOM 1233 CA VAL A 82 -0.402 6.999 -7.750 1.00 0.00 C ATOM 1234 C VAL A 82 -0.366 8.407 -8.334 1.00 0.00 C ATOM 1235 O VAL A 82 -0.750 9.373 -7.675 1.00 0.00 O ATOM 1236 CB VAL A 82 0.936 6.714 -7.042 1.00 0.00 C ATOM 1237 CG1 VAL A 82 1.116 7.638 -5.847 1.00 0.00 C ATOM 1238 CG2 VAL A 82 1.013 5.256 -6.615 1.00 0.00 C ATOM 0 H VAL A 82 0.107 5.393 -8.998 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.211 6.931 -7.023 1.00 0.00 H new ATOM 0 HB VAL A 82 1.747 6.906 -7.745 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.067 7.422 -5.360 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.109 8.675 -6.184 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.302 7.481 -5.140 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.965 5.073 -6.117 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.195 5.034 -5.929 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.934 4.615 -7.493 1.00 0.00 H new ATOM 1248 N ARG A 83 0.098 8.515 -9.575 1.00 0.00 N ATOM 1249 CA ARG A 83 0.185 9.805 -10.248 1.00 0.00 C ATOM 1250 C ARG A 83 -1.202 10.317 -10.624 1.00 0.00 C ATOM 1251 O ARG A 83 -1.601 11.411 -10.225 1.00 0.00 O ATOM 1252 CB ARG A 83 1.055 9.692 -11.502 1.00 0.00 C ATOM 1253 CG ARG A 83 1.714 11.001 -11.906 1.00 0.00 C ATOM 1254 CD ARG A 83 0.827 11.803 -12.846 1.00 0.00 C ATOM 1255 NE ARG A 83 1.348 13.148 -13.074 1.00 0.00 N ATOM 1256 CZ ARG A 83 1.395 14.087 -12.135 1.00 0.00 C ATOM 1257 NH1 ARG A 83 0.955 13.829 -10.912 1.00 0.00 N ATOM 1258 NH2 ARG A 83 1.884 15.288 -12.420 1.00 0.00 N ATOM 0 H ARG A 83 0.419 7.725 -10.134 1.00 0.00 H new ATOM 0 HA ARG A 83 0.642 10.516 -9.559 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.828 8.943 -11.331 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.441 9.334 -12.329 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.930 11.591 -11.015 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.668 10.795 -12.391 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.742 11.280 -13.799 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.178 11.869 -12.428 1.00 0.00 H new ATOM 0 HE ARG A 83 1.695 13.379 -14.005 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.579 12.907 -10.689 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.992 14.552 -10.193 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.224 15.490 -13.360 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.920 16.008 -11.699 1.00 0.00 H new ATOM 1272 N LYS A 84 -1.934 9.518 -11.393 1.00 0.00 N ATOM 1273 CA LYS A 84 -3.277 9.888 -11.823 1.00 0.00 C ATOM 1274 C LYS A 84 -4.146 10.266 -10.627 1.00 0.00 C ATOM 1275 O LYS A 84 -4.980 11.167 -10.714 1.00 0.00 O ATOM 1276 CB LYS A 84 -3.925 8.735 -12.593 1.00 0.00 C ATOM 1277 CG LYS A 84 -4.217 7.518 -11.733 1.00 0.00 C ATOM 1278 CD LYS A 84 -4.759 6.366 -12.563 1.00 0.00 C ATOM 1279 CE LYS A 84 -6.256 6.502 -12.795 1.00 0.00 C ATOM 1280 NZ LYS A 84 -6.815 5.325 -13.516 1.00 0.00 N ATOM 0 H LYS A 84 -1.619 8.609 -11.732 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.195 10.754 -12.480 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.855 9.085 -13.040 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.268 8.442 -13.412 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.306 7.204 -11.224 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.939 7.782 -10.960 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.243 6.333 -13.522 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.552 5.423 -12.057 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.763 6.615 -11.837 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.454 7.407 -13.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.837 5.456 -13.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.349 5.231 -14.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.649 4.464 -12.956 1.00 0.00 H new ATOM 1294 N SER A 85 -3.944 9.572 -9.512 1.00 0.00 N ATOM 1295 CA SER A 85 -4.710 9.834 -8.299 1.00 0.00 C ATOM 1296 C SER A 85 -4.966 11.329 -8.130 1.00 0.00 C ATOM 1297 O SER A 85 -6.101 11.757 -7.926 1.00 0.00 O ATOM 1298 CB SER A 85 -3.971 9.290 -7.076 1.00 0.00 C ATOM 1299 OG SER A 85 -3.902 7.875 -7.109 1.00 0.00 O ATOM 0 H SER A 85 -3.256 8.824 -9.423 1.00 0.00 H new ATOM 0 HA SER A 85 -5.671 9.327 -8.389 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.964 9.706 -7.041 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.480 9.611 -6.167 1.00 0.00 H new ATOM 0 HG SER A 85 -3.203 7.596 -7.736 1.00 0.00 H new ATOM 1305 N GLY A 86 -3.900 12.119 -8.217 1.00 0.00 N ATOM 1306 CA GLY A 86 -4.028 13.557 -8.071 1.00 0.00 C ATOM 1307 C GLY A 86 -3.258 14.090 -6.879 1.00 0.00 C ATOM 1308 O GLY A 86 -2.132 13.669 -6.621 1.00 0.00 O ATOM 0 H GLY A 86 -2.950 11.788 -8.386 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.670 14.044 -8.978 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.081 13.816 -7.964 1.00 0.00 H new ATOM 1312 N ASN A 87 -3.867 15.021 -6.151 1.00 0.00 N ATOM 1313 CA ASN A 87 -3.230 15.614 -4.981 1.00 0.00 C ATOM 1314 C ASN A 87 -3.393 14.715 -3.759 1.00 0.00 C ATOM 1315 O ASN A 87 -2.453 14.523 -2.988 1.00 0.00 O ATOM 1316 CB ASN A 87 -3.825 16.994 -4.696 1.00 0.00 C ATOM 1317 CG ASN A 87 -3.789 17.901 -5.911 1.00 0.00 C ATOM 1318 OD1 ASN A 87 -4.786 18.050 -6.617 1.00 0.00 O ATOM 1319 ND2 ASN A 87 -2.637 18.512 -6.159 1.00 0.00 N ATOM 0 H ASN A 87 -4.800 15.381 -6.351 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.166 15.721 -5.192 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.856 16.880 -4.361 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.275 17.462 -3.880 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.553 19.135 -6.962 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.836 18.359 -5.546 1.00 0.00 H new ATOM 1326 N SER A 88 -4.592 14.168 -3.589 1.00 0.00 N ATOM 1327 CA SER A 88 -4.880 13.292 -2.460 1.00 0.00 C ATOM 1328 C SER A 88 -4.901 11.830 -2.897 1.00 0.00 C ATOM 1329 O SER A 88 -5.594 11.464 -3.847 1.00 0.00 O ATOM 1330 CB SER A 88 -6.221 13.666 -1.825 1.00 0.00 C ATOM 1331 OG SER A 88 -7.304 13.212 -2.618 1.00 0.00 O ATOM 0 H SER A 88 -5.380 14.316 -4.219 1.00 0.00 H new ATOM 0 HA SER A 88 -4.088 13.421 -1.722 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.289 13.231 -0.828 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.282 14.748 -1.706 1.00 0.00 H new ATOM 0 HG SER A 88 -6.968 12.619 -3.322 1.00 0.00 H new ATOM 1337 N VAL A 89 -4.137 10.998 -2.197 1.00 0.00 N ATOM 1338 CA VAL A 89 -4.068 9.576 -2.510 1.00 0.00 C ATOM 1339 C VAL A 89 -4.236 8.728 -1.255 1.00 0.00 C ATOM 1340 O VAL A 89 -3.689 9.045 -0.199 1.00 0.00 O ATOM 1341 CB VAL A 89 -2.732 9.215 -3.186 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -2.782 7.802 -3.747 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -2.398 10.220 -4.278 1.00 0.00 C ATOM 0 H VAL A 89 -3.557 11.285 -1.409 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.885 9.363 -3.200 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.943 9.254 -2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.829 7.565 -4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.971 7.096 -2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.582 7.731 -4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.451 9.949 -4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.187 10.216 -5.030 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.316 11.216 -3.843 1.00 0.00 H new ATOM 1353 N THR A 90 -4.998 7.645 -1.377 1.00 0.00 N ATOM 1354 CA THR A 90 -5.239 6.750 -0.252 1.00 0.00 C ATOM 1355 C THR A 90 -4.404 5.480 -0.371 1.00 0.00 C ATOM 1356 O THR A 90 -4.277 4.906 -1.453 1.00 0.00 O ATOM 1357 CB THR A 90 -6.727 6.364 -0.151 1.00 0.00 C ATOM 1358 OG1 THR A 90 -7.540 7.542 -0.147 1.00 0.00 O ATOM 1359 CG2 THR A 90 -6.992 5.555 1.110 1.00 0.00 C ATOM 0 H THR A 90 -5.459 7.367 -2.244 1.00 0.00 H new ATOM 0 HA THR A 90 -4.948 7.290 0.649 1.00 0.00 H new ATOM 0 HB THR A 90 -6.980 5.752 -1.017 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.484 7.288 -0.084 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.049 5.294 1.159 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.394 4.644 1.090 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.723 6.147 1.985 1.00 0.00 H new ATOM 1367 N LEU A 91 -3.835 5.045 0.749 1.00 0.00 N ATOM 1368 CA LEU A 91 -3.011 3.842 0.771 1.00 0.00 C ATOM 1369 C LEU A 91 -3.387 2.946 1.947 1.00 0.00 C ATOM 1370 O LEU A 91 -3.608 3.426 3.060 1.00 0.00 O ATOM 1371 CB LEU A 91 -1.530 4.215 0.851 1.00 0.00 C ATOM 1372 CG LEU A 91 -0.989 5.069 -0.296 1.00 0.00 C ATOM 1373 CD1 LEU A 91 0.390 5.611 0.045 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -0.943 4.261 -1.585 1.00 0.00 C ATOM 0 H LEU A 91 -3.930 5.508 1.653 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.190 3.292 -0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.361 4.749 1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.947 3.296 0.899 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.662 5.914 -0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.758 6.216 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.328 6.225 0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.074 4.781 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.556 4.884 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.293 3.397 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.948 3.923 -1.839 1.00 0.00 H new ATOM 1386 N LEU A 92 -3.455 1.644 1.694 1.00 0.00 N ATOM 1387 CA LEU A 92 -3.801 0.680 2.733 1.00 0.00 C ATOM 1388 C LEU A 92 -2.577 -0.123 3.161 1.00 0.00 C ATOM 1389 O LEU A 92 -2.092 -0.978 2.420 1.00 0.00 O ATOM 1390 CB LEU A 92 -4.896 -0.265 2.235 1.00 0.00 C ATOM 1391 CG LEU A 92 -6.308 0.320 2.168 1.00 0.00 C ATOM 1392 CD1 LEU A 92 -7.243 -0.626 1.430 1.00 0.00 C ATOM 1393 CD2 LEU A 92 -6.833 0.608 3.567 1.00 0.00 C ATOM 0 H LEU A 92 -3.275 1.231 0.779 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.171 1.232 3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.621 -0.615 1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.917 -1.139 2.885 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.266 1.260 1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.243 -0.193 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.876 -0.782 0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.281 -1.582 1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.838 1.024 3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.860 -0.317 4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -6.177 1.324 4.062 1.00 0.00 H new ATOM 1405 N VAL A 93 -2.082 0.158 4.363 1.00 0.00 N ATOM 1406 CA VAL A 93 -0.917 -0.541 4.892 1.00 0.00 C ATOM 1407 C VAL A 93 -1.321 -1.565 5.946 1.00 0.00 C ATOM 1408 O VAL A 93 -2.132 -1.279 6.827 1.00 0.00 O ATOM 1409 CB VAL A 93 0.094 0.444 5.509 1.00 0.00 C ATOM 1410 CG1 VAL A 93 0.579 1.438 4.465 1.00 0.00 C ATOM 1411 CG2 VAL A 93 -0.523 1.165 6.698 1.00 0.00 C ATOM 0 H VAL A 93 -2.470 0.865 4.988 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.448 -1.055 4.053 1.00 0.00 H new ATOM 0 HB VAL A 93 0.956 -0.122 5.863 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.292 2.125 4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.063 0.901 3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.270 2.001 4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.205 1.857 7.122 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.403 1.719 6.371 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.814 0.436 7.455 1.00 0.00 H new ATOM 1421 N LEU A 94 -0.750 -2.761 5.850 1.00 0.00 N ATOM 1422 CA LEU A 94 -1.050 -3.830 6.796 1.00 0.00 C ATOM 1423 C LEU A 94 0.148 -4.111 7.698 1.00 0.00 C ATOM 1424 O LEU A 94 1.294 -3.877 7.315 1.00 0.00 O ATOM 1425 CB LEU A 94 -1.449 -5.103 6.047 1.00 0.00 C ATOM 1426 CG LEU A 94 -2.093 -6.204 6.891 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -3.543 -5.862 7.197 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -1.997 -7.546 6.180 1.00 0.00 C ATOM 0 H LEU A 94 -0.077 -3.015 5.127 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.883 -3.507 7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.142 -4.830 5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.560 -5.513 5.568 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.552 -6.276 7.834 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.985 -6.656 7.798 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.587 -4.923 7.748 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.098 -5.761 6.264 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.460 -8.318 6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.513 -7.488 5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.949 -7.795 6.013 1.00 0.00 H new ATOM 1440 N ASP A 95 -0.126 -4.615 8.896 1.00 0.00 N ATOM 1441 CA ASP A 95 0.929 -4.932 9.851 1.00 0.00 C ATOM 1442 C ASP A 95 1.701 -6.174 9.417 1.00 0.00 C ATOM 1443 O ASP A 95 1.115 -7.225 9.165 1.00 0.00 O ATOM 1444 CB ASP A 95 0.337 -5.146 11.245 1.00 0.00 C ATOM 1445 CG ASP A 95 -0.310 -3.891 11.799 1.00 0.00 C ATOM 1446 OD1 ASP A 95 -1.391 -3.513 11.301 1.00 0.00 O ATOM 1447 OD2 ASP A 95 0.266 -3.288 12.728 1.00 0.00 O ATOM 0 H ASP A 95 -1.070 -4.813 9.229 1.00 0.00 H new ATOM 0 HA ASP A 95 1.620 -4.090 9.883 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.403 -5.945 11.203 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.124 -5.476 11.924 1.00 0.00 H new ATOM 1452 N GLY A 96 3.022 -6.044 9.331 1.00 0.00 N ATOM 1453 CA GLY A 96 3.853 -7.162 8.926 1.00 0.00 C ATOM 1454 C GLY A 96 3.372 -8.480 9.501 1.00 0.00 C ATOM 1455 O GLY A 96 3.285 -9.481 8.789 1.00 0.00 O ATOM 0 H GLY A 96 3.531 -5.184 9.535 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.865 -7.227 7.838 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.879 -6.982 9.246 1.00 0.00 H new ATOM 1459 N ASP A 97 3.061 -8.481 10.792 1.00 0.00 N ATOM 1460 CA ASP A 97 2.587 -9.686 11.463 1.00 0.00 C ATOM 1461 C ASP A 97 1.390 -10.282 10.729 1.00 0.00 C ATOM 1462 O ASP A 97 1.385 -11.464 10.385 1.00 0.00 O ATOM 1463 CB ASP A 97 2.208 -9.373 12.912 1.00 0.00 C ATOM 1464 CG ASP A 97 3.420 -9.090 13.778 1.00 0.00 C ATOM 1465 OD1 ASP A 97 4.443 -9.786 13.612 1.00 0.00 O ATOM 1466 OD2 ASP A 97 3.344 -8.173 14.623 1.00 0.00 O ATOM 0 H ASP A 97 3.128 -7.661 11.395 1.00 0.00 H new ATOM 0 HA ASP A 97 3.395 -10.417 11.456 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.541 -8.511 12.932 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.655 -10.214 13.330 1.00 0.00 H new ATOM 1471 N SER A 98 0.375 -9.456 10.493 1.00 0.00 N ATOM 1472 CA SER A 98 -0.830 -9.902 9.804 1.00 0.00 C ATOM 1473 C SER A 98 -0.502 -10.386 8.395 1.00 0.00 C ATOM 1474 O SER A 98 -0.913 -11.473 7.989 1.00 0.00 O ATOM 1475 CB SER A 98 -1.856 -8.769 9.740 1.00 0.00 C ATOM 1476 OG SER A 98 -2.319 -8.427 11.035 1.00 0.00 O ATOM 0 H SER A 98 0.364 -8.474 10.769 1.00 0.00 H new ATOM 0 HA SER A 98 -1.253 -10.734 10.367 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.408 -7.895 9.268 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.698 -9.071 9.117 1.00 0.00 H new ATOM 0 HG SER A 98 -2.972 -7.700 10.967 1.00 0.00 H new ATOM 1482 N TYR A 99 0.241 -9.572 7.654 1.00 0.00 N ATOM 1483 CA TYR A 99 0.622 -9.914 6.289 1.00 0.00 C ATOM 1484 C TYR A 99 1.297 -11.282 6.239 1.00 0.00 C ATOM 1485 O TYR A 99 0.815 -12.199 5.576 1.00 0.00 O ATOM 1486 CB TYR A 99 1.560 -8.850 5.717 1.00 0.00 C ATOM 1487 CG TYR A 99 1.624 -8.849 4.206 1.00 0.00 C ATOM 1488 CD1 TYR A 99 2.179 -9.917 3.514 1.00 0.00 C ATOM 1489 CD2 TYR A 99 1.128 -7.778 3.471 1.00 0.00 C ATOM 1490 CE1 TYR A 99 2.240 -9.920 2.134 1.00 0.00 C ATOM 1491 CE2 TYR A 99 1.183 -7.773 2.091 1.00 0.00 C ATOM 1492 CZ TYR A 99 1.741 -8.846 1.427 1.00 0.00 C ATOM 1493 OH TYR A 99 1.799 -8.845 0.052 1.00 0.00 O ATOM 0 H TYR A 99 0.592 -8.670 7.976 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.284 -9.953 5.685 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.234 -7.868 6.059 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.562 -9.009 6.115 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.570 -10.760 4.064 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.692 -6.936 3.988 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.676 -10.759 1.612 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.791 -6.934 1.535 1.00 0.00 H new ATOM 0 HH TYR A 99 1.404 -8.016 -0.291 1.00 0.00 H new ATOM 1503 N GLU A 100 2.415 -11.409 6.947 1.00 0.00 N ATOM 1504 CA GLU A 100 3.156 -12.664 6.984 1.00 0.00 C ATOM 1505 C GLU A 100 2.243 -13.825 7.368 1.00 0.00 C ATOM 1506 O GLU A 100 2.214 -14.856 6.696 1.00 0.00 O ATOM 1507 CB GLU A 100 4.319 -12.567 7.974 1.00 0.00 C ATOM 1508 CG GLU A 100 5.354 -11.520 7.596 1.00 0.00 C ATOM 1509 CD GLU A 100 6.595 -11.587 8.465 1.00 0.00 C ATOM 1510 OE1 GLU A 100 6.563 -11.042 9.588 1.00 0.00 O ATOM 1511 OE2 GLU A 100 7.598 -12.184 8.022 1.00 0.00 O ATOM 0 H GLU A 100 2.827 -10.659 7.502 1.00 0.00 H new ATOM 0 HA GLU A 100 3.552 -12.851 5.986 1.00 0.00 H new ATOM 0 HB2 GLU A 100 3.925 -12.335 8.963 1.00 0.00 H new ATOM 0 HB3 GLU A 100 4.807 -13.539 8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.638 -11.655 6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 100 4.910 -10.528 7.679 1.00 0.00 H new ATOM 1518 N LYS A 101 1.498 -13.649 8.455 1.00 0.00 N ATOM 1519 CA LYS A 101 0.583 -14.680 8.930 1.00 0.00 C ATOM 1520 C LYS A 101 -0.364 -15.121 7.818 1.00 0.00 C ATOM 1521 O LYS A 101 -0.399 -16.295 7.450 1.00 0.00 O ATOM 1522 CB LYS A 101 -0.222 -14.164 10.125 1.00 0.00 C ATOM 1523 CG LYS A 101 -0.751 -15.268 11.024 1.00 0.00 C ATOM 1524 CD LYS A 101 -0.957 -14.777 12.447 1.00 0.00 C ATOM 1525 CE LYS A 101 0.370 -14.543 13.153 1.00 0.00 C ATOM 1526 NZ LYS A 101 0.260 -14.749 14.624 1.00 0.00 N ATOM 0 H LYS A 101 1.510 -12.802 9.023 1.00 0.00 H new ATOM 0 HA LYS A 101 1.175 -15.541 9.242 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.406 -13.496 10.715 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.061 -13.572 9.759 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -1.695 -15.641 10.627 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.052 -16.105 11.024 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.532 -13.851 12.434 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.543 -15.508 13.004 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.122 -15.220 12.747 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.714 -13.528 12.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.185 -14.580 15.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.439 -14.086 15.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.043 -15.725 14.816 1.00 0.00 H new ATOM 1540 N ALA A 102 -1.129 -14.173 7.288 1.00 0.00 N ATOM 1541 CA ALA A 102 -2.073 -14.464 6.216 1.00 0.00 C ATOM 1542 C ALA A 102 -1.427 -15.320 5.132 1.00 0.00 C ATOM 1543 O ALA A 102 -1.917 -16.400 4.804 1.00 0.00 O ATOM 1544 CB ALA A 102 -2.611 -13.171 5.620 1.00 0.00 C ATOM 0 H ALA A 102 -1.114 -13.197 7.583 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.903 -15.028 6.641 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.315 -13.404 4.821 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -3.119 -12.597 6.395 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.785 -12.585 5.217 1.00 0.00 H new ATOM 1550 N VAL A 103 -0.323 -14.829 4.577 1.00 0.00 N ATOM 1551 CA VAL A 103 0.392 -15.549 3.530 1.00 0.00 C ATOM 1552 C VAL A 103 0.546 -17.024 3.884 1.00 0.00 C ATOM 1553 O VAL A 103 0.334 -17.900 3.046 1.00 0.00 O ATOM 1554 CB VAL A 103 1.786 -14.943 3.284 1.00 0.00 C ATOM 1555 CG1 VAL A 103 2.556 -15.771 2.267 1.00 0.00 C ATOM 1556 CG2 VAL A 103 1.665 -13.498 2.824 1.00 0.00 C ATOM 0 H VAL A 103 0.095 -13.935 4.835 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.202 -15.457 2.620 1.00 0.00 H new ATOM 0 HB VAL A 103 2.340 -14.957 4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.539 -15.328 2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.674 -16.788 2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.008 -15.791 1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.660 -13.085 2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.093 -13.458 1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.155 -12.914 3.590 1.00 0.00 H new ATOM 1566 N LYS A 104 0.915 -17.292 5.132 1.00 0.00 N ATOM 1567 CA LYS A 104 1.097 -18.661 5.599 1.00 0.00 C ATOM 1568 C LYS A 104 -0.221 -19.428 5.560 1.00 0.00 C ATOM 1569 O LYS A 104 -0.279 -20.556 5.072 1.00 0.00 O ATOM 1570 CB LYS A 104 1.659 -18.665 7.022 1.00 0.00 C ATOM 1571 CG LYS A 104 1.742 -20.051 7.639 1.00 0.00 C ATOM 1572 CD LYS A 104 3.079 -20.712 7.347 1.00 0.00 C ATOM 1573 CE LYS A 104 3.129 -21.267 5.932 1.00 0.00 C ATOM 1574 NZ LYS A 104 4.046 -22.435 5.827 1.00 0.00 N ATOM 0 H LYS A 104 1.094 -16.578 5.839 1.00 0.00 H new ATOM 0 HA LYS A 104 1.805 -19.155 4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.654 -18.221 7.012 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.034 -18.033 7.652 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.598 -19.980 8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 104 0.935 -20.672 7.250 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.882 -19.987 7.483 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.252 -21.517 8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.127 -21.563 5.622 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.456 -20.485 5.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.052 -22.784 4.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.008 -22.147 6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.719 -23.191 6.462 1.00 0.00 H new ATOM 1588 N ASN A 105 -1.278 -18.808 6.075 1.00 0.00 N ATOM 1589 CA ASN A 105 -2.595 -19.433 6.098 1.00 0.00 C ATOM 1590 C ASN A 105 -3.329 -19.202 4.780 1.00 0.00 C ATOM 1591 O ASN A 105 -4.552 -19.322 4.711 1.00 0.00 O ATOM 1592 CB ASN A 105 -3.424 -18.881 7.259 1.00 0.00 C ATOM 1593 CG ASN A 105 -2.667 -18.907 8.573 1.00 0.00 C ATOM 1594 OD1 ASN A 105 -2.453 -19.968 9.159 1.00 0.00 O ATOM 1595 ND2 ASN A 105 -2.257 -17.734 9.042 1.00 0.00 N ATOM 0 H ASN A 105 -1.248 -17.873 6.482 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.459 -20.506 6.235 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.722 -17.857 7.035 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.339 -19.465 7.358 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -1.742 -17.688 9.921 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -2.457 -16.879 8.523 1.00 0.00 H new ATOM 1602 N GLN A 106 -2.573 -18.871 3.738 1.00 0.00 N ATOM 1603 CA GLN A 106 -3.152 -18.624 2.423 1.00 0.00 C ATOM 1604 C GLN A 106 -4.526 -17.972 2.547 1.00 0.00 C ATOM 1605 O GLN A 106 -5.497 -18.428 1.943 1.00 0.00 O ATOM 1606 CB GLN A 106 -3.264 -19.932 1.637 1.00 0.00 C ATOM 1607 CG GLN A 106 -1.952 -20.383 1.017 1.00 0.00 C ATOM 1608 CD GLN A 106 -2.116 -21.596 0.122 1.00 0.00 C ATOM 1609 OE1 GLN A 106 -2.248 -21.470 -1.095 1.00 0.00 O ATOM 1610 NE2 GLN A 106 -2.108 -22.780 0.723 1.00 0.00 N ATOM 0 H GLN A 106 -1.559 -18.768 3.779 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.493 -17.942 1.886 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.631 -20.715 2.301 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.006 -19.810 0.848 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -1.528 -19.563 0.437 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -1.241 -20.615 1.810 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -1.996 -22.837 1.735 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -2.214 -23.632 0.172 1.00 0.00 H new ATOM 1619 N VAL A 107 -4.599 -16.903 3.333 1.00 0.00 N ATOM 1620 CA VAL A 107 -5.853 -16.188 3.535 1.00 0.00 C ATOM 1621 C VAL A 107 -6.043 -15.102 2.482 1.00 0.00 C ATOM 1622 O VAL A 107 -5.118 -14.349 2.178 1.00 0.00 O ATOM 1623 CB VAL A 107 -5.914 -15.547 4.935 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -7.159 -14.684 5.073 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -5.876 -16.619 6.013 1.00 0.00 C ATOM 0 H VAL A 107 -3.805 -16.513 3.840 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.654 -16.922 3.444 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.041 -14.906 5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -7.185 -14.240 6.068 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -7.139 -13.893 4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -8.047 -15.300 4.927 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.920 -16.149 6.995 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.729 -17.287 5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.952 -17.191 5.925 1.00 0.00 H new ATOM 1635 N ASP A 108 -7.249 -15.026 1.929 1.00 0.00 N ATOM 1636 CA ASP A 108 -7.561 -14.031 0.910 1.00 0.00 C ATOM 1637 C ASP A 108 -7.185 -12.631 1.385 1.00 0.00 C ATOM 1638 O ASP A 108 -7.657 -12.168 2.424 1.00 0.00 O ATOM 1639 CB ASP A 108 -9.049 -14.081 0.557 1.00 0.00 C ATOM 1640 CG ASP A 108 -9.576 -15.500 0.473 1.00 0.00 C ATOM 1641 OD1 ASP A 108 -9.524 -16.088 -0.628 1.00 0.00 O ATOM 1642 OD2 ASP A 108 -10.041 -16.022 1.508 1.00 0.00 O ATOM 0 H ASP A 108 -8.026 -15.641 2.169 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.976 -14.262 0.020 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.616 -13.530 1.307 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.210 -13.579 -0.397 1.00 0.00 H new ATOM 1647 N LEU A 109 -6.331 -11.962 0.618 1.00 0.00 N ATOM 1648 CA LEU A 109 -5.890 -10.614 0.960 1.00 0.00 C ATOM 1649 C LEU A 109 -6.751 -9.566 0.263 1.00 0.00 C ATOM 1650 O LEU A 109 -7.048 -8.513 0.829 1.00 0.00 O ATOM 1651 CB LEU A 109 -4.422 -10.423 0.573 1.00 0.00 C ATOM 1652 CG LEU A 109 -3.399 -11.159 1.439 1.00 0.00 C ATOM 1653 CD1 LEU A 109 -2.023 -11.117 0.792 1.00 0.00 C ATOM 1654 CD2 LEU A 109 -3.352 -10.559 2.836 1.00 0.00 C ATOM 0 H LEU A 109 -5.930 -12.331 -0.244 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.996 -10.486 2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.294 -10.747 -0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.195 -9.357 0.603 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.706 -12.201 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.308 -11.646 1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.066 -11.595 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.707 -10.080 0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.619 -11.096 3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.070 -9.508 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.334 -10.643 3.301 1.00 0.00 H new ATOM 1666 N LYS A 110 -7.153 -9.861 -0.969 1.00 0.00 N ATOM 1667 CA LYS A 110 -7.984 -8.946 -1.743 1.00 0.00 C ATOM 1668 C LYS A 110 -9.156 -8.439 -0.910 1.00 0.00 C ATOM 1669 O LYS A 110 -9.553 -7.280 -1.022 1.00 0.00 O ATOM 1670 CB LYS A 110 -8.503 -9.640 -3.004 1.00 0.00 C ATOM 1671 CG LYS A 110 -7.541 -9.568 -4.178 1.00 0.00 C ATOM 1672 CD LYS A 110 -8.150 -10.166 -5.435 1.00 0.00 C ATOM 1673 CE LYS A 110 -7.131 -10.250 -6.562 1.00 0.00 C ATOM 1674 NZ LYS A 110 -6.148 -11.345 -6.340 1.00 0.00 N ATOM 0 H LYS A 110 -6.917 -10.727 -1.453 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.370 -8.093 -2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.706 -10.686 -2.775 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -9.451 -9.187 -3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.269 -8.529 -4.363 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -6.622 -10.099 -3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.535 -11.162 -5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.998 -9.560 -5.754 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.648 -10.412 -7.508 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.603 -9.300 -6.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.913 -11.790 -7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.284 -10.955 -5.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.559 -12.056 -5.702 1.00 0.00 H new ATOM 1688 N GLU A 111 -9.705 -9.315 -0.074 1.00 0.00 N ATOM 1689 CA GLU A 111 -10.832 -8.953 0.779 1.00 0.00 C ATOM 1690 C GLU A 111 -10.480 -7.768 1.673 1.00 0.00 C ATOM 1691 O GLU A 111 -11.324 -6.918 1.958 1.00 0.00 O ATOM 1692 CB GLU A 111 -11.254 -10.147 1.638 1.00 0.00 C ATOM 1693 CG GLU A 111 -11.651 -11.370 0.828 1.00 0.00 C ATOM 1694 CD GLU A 111 -12.454 -12.370 1.637 1.00 0.00 C ATOM 1695 OE1 GLU A 111 -12.061 -12.655 2.787 1.00 0.00 O ATOM 1696 OE2 GLU A 111 -13.476 -12.866 1.119 1.00 0.00 O ATOM 0 H GLU A 111 -9.388 -10.279 0.031 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.664 -8.665 0.136 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.433 -10.413 2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.092 -9.852 2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.235 -11.055 -0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.753 -11.855 0.446 1.00 0.00 H new ATOM 1703 N LEU A 112 -9.227 -7.719 2.113 1.00 0.00 N ATOM 1704 CA LEU A 112 -8.762 -6.638 2.976 1.00 0.00 C ATOM 1705 C LEU A 112 -9.191 -5.281 2.429 1.00 0.00 C ATOM 1706 O LEU A 112 -8.574 -4.749 1.506 1.00 0.00 O ATOM 1707 CB LEU A 112 -7.239 -6.688 3.112 1.00 0.00 C ATOM 1708 CG LEU A 112 -6.648 -8.026 3.557 1.00 0.00 C ATOM 1709 CD1 LEU A 112 -5.170 -8.100 3.207 1.00 0.00 C ATOM 1710 CD2 LEU A 112 -6.855 -8.230 5.051 1.00 0.00 C ATOM 0 H LEU A 112 -8.516 -8.414 1.887 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.213 -6.771 3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.800 -6.421 2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.933 -5.923 3.826 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.166 -8.825 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.767 -9.059 3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.046 -8.000 2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.636 -7.293 3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.428 -9.187 5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.364 -7.426 5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.922 -8.223 5.275 1.00 0.00 H new ATOM 1722 N ASP A 113 -10.252 -4.725 3.005 1.00 0.00 N ATOM 1723 CA ASP A 113 -10.762 -3.428 2.578 1.00 0.00 C ATOM 1724 C ASP A 113 -11.484 -2.724 3.722 1.00 0.00 C ATOM 1725 O ASP A 113 -12.591 -3.109 4.100 1.00 0.00 O ATOM 1726 CB ASP A 113 -11.708 -3.595 1.387 1.00 0.00 C ATOM 1727 CG ASP A 113 -12.740 -4.681 1.616 1.00 0.00 C ATOM 1728 OD1 ASP A 113 -12.879 -5.135 2.772 1.00 0.00 O ATOM 1729 OD2 ASP A 113 -13.410 -5.077 0.640 1.00 0.00 O ATOM 0 H ASP A 113 -10.775 -5.153 3.769 1.00 0.00 H new ATOM 0 HA ASP A 113 -9.914 -2.814 2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.216 -2.650 1.195 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -11.127 -3.832 0.496 1.00 0.00 H new ATOM 1734 N GLN A 114 -10.850 -1.692 4.270 1.00 0.00 N ATOM 1735 CA GLN A 114 -11.432 -0.937 5.373 1.00 0.00 C ATOM 1736 C GLN A 114 -12.944 -0.815 5.211 1.00 0.00 C ATOM 1737 O GLN A 114 -13.620 -0.205 6.040 1.00 0.00 O ATOM 1738 CB GLN A 114 -10.803 0.455 5.454 1.00 0.00 C ATOM 1739 CG GLN A 114 -11.280 1.403 4.366 1.00 0.00 C ATOM 1740 CD GLN A 114 -11.329 0.747 3.000 1.00 0.00 C ATOM 1741 OE1 GLN A 114 -10.318 0.252 2.500 1.00 0.00 O ATOM 1742 NE2 GLN A 114 -12.507 0.741 2.387 1.00 0.00 N ATOM 0 H GLN A 114 -9.934 -1.360 3.968 1.00 0.00 H new ATOM 0 HA GLN A 114 -11.226 -1.476 6.298 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -11.028 0.890 6.428 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -9.719 0.359 5.391 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -12.272 1.774 4.622 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -10.617 2.267 4.326 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -13.319 1.163 2.838 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -12.600 0.315 1.465 1.00 0.00 H new