USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 656 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 81 THR OG1 : rot -113:sc= -0.0799 USER MOD Set 1.2: A 83 THR OG1 : rot -150:sc= 0.545 USER MOD Set 1.3: A 86 TYR OH : rot 126:sc= 0.469 USER MOD Set 2.1: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 49 LYS NZ :NH3+ 163:sc= 1.11 (180deg=0.554) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 17 TYR OH : rot 99:sc= 0.296 USER MOD Single : A 18 THR OG1 : rot 48:sc= 1.29 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= 0.55 (180deg=0.544) USER MOD Single : A 27 HIS : no HD1:sc= -4.37! K(o=-4.4!,f=-2.2) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -27:sc= 0.195 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.0473 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0682 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 41 ASN : amide:sc= -0.173 K(o=-0.17,f=-4.1!) USER MOD Single : A 54 SER OG : rot 180:sc=-0.00409 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0.328 K(o=0.33,f=-2.1!) USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl 177:sc= -0.435 (180deg=-0.46) USER MOD Single : A 91 ASN : amide:sc= -3.17! C(o=-3.2!,f=-5.7!) USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 10 -3.841 3.048 7.939 1.00 0.00 N ATOM 100 CA LYS A 10 -3.774 1.653 7.523 1.00 0.00 C ATOM 101 C LYS A 10 -2.356 1.110 7.664 1.00 0.00 C ATOM 102 O LYS A 10 -1.382 1.826 7.431 1.00 0.00 O ATOM 103 CB LYS A 10 -4.245 1.508 6.074 1.00 0.00 C ATOM 104 CG LYS A 10 -4.468 0.067 5.648 1.00 0.00 C ATOM 105 CD LYS A 10 -5.893 -0.383 5.923 1.00 0.00 C ATOM 106 CE LYS A 10 -5.996 -1.899 5.990 1.00 0.00 C ATOM 107 NZ LYS A 10 -5.694 -2.416 7.353 1.00 0.00 N ATOM 0 HA LYS A 10 -4.432 1.075 8.172 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.174 2.064 5.945 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.507 1.963 5.414 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.252 -0.036 4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.772 -0.582 6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.237 0.048 6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.552 -0.007 5.140 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.000 -2.208 5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.305 -2.342 5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.775 -3.453 7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.727 -2.143 7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.369 -2.014 8.034 1.00 0.00 H new ATOM 121 N GLU A 11 -2.247 -0.159 8.046 1.00 0.00 N ATOM 122 CA GLU A 11 -0.947 -0.796 8.217 1.00 0.00 C ATOM 123 C GLU A 11 -1.080 -2.316 8.208 1.00 0.00 C ATOM 124 O GLU A 11 -2.148 -2.858 8.489 1.00 0.00 O ATOM 125 CB GLU A 11 -0.298 -0.337 9.524 1.00 0.00 C ATOM 126 CG GLU A 11 -1.023 -0.825 10.768 1.00 0.00 C ATOM 127 CD GLU A 11 -2.522 -0.613 10.689 1.00 0.00 C ATOM 128 OE1 GLU A 11 -2.959 0.557 10.711 1.00 0.00 O ATOM 129 OE2 GLU A 11 -3.259 -1.618 10.605 1.00 0.00 O ATOM 0 H GLU A 11 -3.043 -0.765 8.243 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.313 -0.500 7.381 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.733 -0.691 9.552 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.261 0.752 9.539 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.817 -1.886 10.912 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.631 -0.303 11.641 1.00 0.00 H new ATOM 136 N GLY A 12 0.013 -2.998 7.882 1.00 0.00 N ATOM 137 CA GLY A 12 -0.002 -4.449 7.841 1.00 0.00 C ATOM 138 C GLY A 12 0.974 -5.011 6.826 1.00 0.00 C ATOM 139 O GLY A 12 1.438 -4.295 5.939 1.00 0.00 O ATOM 0 H GLY A 12 0.909 -2.572 7.645 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.241 -4.840 8.829 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.008 -4.792 7.601 1.00 0.00 H new ATOM 143 N TRP A 13 1.287 -6.295 6.957 1.00 0.00 N ATOM 144 CA TRP A 13 2.216 -6.952 6.045 1.00 0.00 C ATOM 145 C TRP A 13 1.591 -7.125 4.665 1.00 0.00 C ATOM 146 O TRP A 13 0.498 -7.674 4.533 1.00 0.00 O ATOM 147 CB TRP A 13 2.635 -8.313 6.603 1.00 0.00 C ATOM 148 CG TRP A 13 3.604 -8.214 7.743 1.00 0.00 C ATOM 149 CD1 TRP A 13 3.309 -8.258 9.075 1.00 0.00 C ATOM 150 CD2 TRP A 13 5.023 -8.054 7.648 1.00 0.00 C ATOM 151 NE1 TRP A 13 4.460 -8.134 9.816 1.00 0.00 N ATOM 152 CE2 TRP A 13 5.525 -8.009 8.964 1.00 0.00 C ATOM 153 CE3 TRP A 13 5.919 -7.946 6.582 1.00 0.00 C ATOM 154 CZ2 TRP A 13 6.882 -7.859 9.238 1.00 0.00 C ATOM 155 CZ3 TRP A 13 7.266 -7.798 6.855 1.00 0.00 C ATOM 156 CH2 TRP A 13 7.737 -7.756 8.174 1.00 0.00 C ATOM 0 H TRP A 13 0.911 -6.902 7.686 1.00 0.00 H new ATOM 0 HA TRP A 13 3.099 -6.321 5.948 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.747 -8.850 6.936 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.084 -8.903 5.804 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.317 -8.373 9.486 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.512 -8.135 10.835 1.00 0.00 H new ATOM 0 HE3 TRP A 13 5.566 -7.978 5.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 7.247 -7.825 10.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.967 -7.713 6.038 1.00 0.00 H new ATOM 0 HH2 TRP A 13 8.795 -7.640 8.355 1.00 0.00 H new ATOM 167 N MET A 14 2.293 -6.654 3.639 1.00 0.00 N ATOM 168 CA MET A 14 1.807 -6.760 2.268 1.00 0.00 C ATOM 169 C MET A 14 2.943 -7.113 1.314 1.00 0.00 C ATOM 170 O MET A 14 4.112 -6.856 1.602 1.00 0.00 O ATOM 171 CB MET A 14 1.151 -5.447 1.835 1.00 0.00 C ATOM 172 CG MET A 14 0.384 -5.554 0.527 1.00 0.00 C ATOM 173 SD MET A 14 -0.877 -6.843 0.565 1.00 0.00 S ATOM 174 CE MET A 14 -2.332 -5.881 0.975 1.00 0.00 C ATOM 0 H MET A 14 3.200 -6.196 3.731 1.00 0.00 H new ATOM 0 HA MET A 14 1.066 -7.558 2.232 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.471 -5.114 2.619 1.00 0.00 H new ATOM 0 HB3 MET A 14 1.921 -4.682 1.734 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.088 -4.596 0.307 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.083 -5.759 -0.284 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.199 -6.540 1.035 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.183 -5.388 1.936 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.500 -5.129 0.204 1.00 0.00 H new ATOM 184 N VAL A 15 2.592 -7.705 0.176 1.00 0.00 N ATOM 185 CA VAL A 15 3.583 -8.093 -0.821 1.00 0.00 C ATOM 186 C VAL A 15 3.287 -7.448 -2.170 1.00 0.00 C ATOM 187 O VAL A 15 2.130 -7.199 -2.511 1.00 0.00 O ATOM 188 CB VAL A 15 3.633 -9.623 -0.996 1.00 0.00 C ATOM 189 CG1 VAL A 15 3.875 -10.306 0.342 1.00 0.00 C ATOM 190 CG2 VAL A 15 2.350 -10.128 -1.637 1.00 0.00 C ATOM 0 H VAL A 15 1.629 -7.926 -0.078 1.00 0.00 H new ATOM 0 HA VAL A 15 4.550 -7.744 -0.459 1.00 0.00 H new ATOM 0 HB VAL A 15 4.464 -9.869 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.907 -11.386 0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.824 -9.967 0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.067 -10.055 1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.403 -11.211 -1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.501 -9.872 -1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.225 -9.664 -2.615 1.00 0.00 H new ATOM 200 N HIS A 16 4.340 -7.179 -2.934 1.00 0.00 N ATOM 201 CA HIS A 16 4.194 -6.562 -4.248 1.00 0.00 C ATOM 202 C HIS A 16 5.366 -6.927 -5.154 1.00 0.00 C ATOM 203 O HIS A 16 6.420 -7.353 -4.680 1.00 0.00 O ATOM 204 CB HIS A 16 4.091 -5.043 -4.114 1.00 0.00 C ATOM 205 CG HIS A 16 5.419 -4.363 -3.981 1.00 0.00 C ATOM 206 ND1 HIS A 16 6.195 -4.441 -2.844 1.00 0.00 N ATOM 207 CD2 HIS A 16 6.108 -3.589 -4.853 1.00 0.00 C ATOM 208 CE1 HIS A 16 7.303 -3.744 -3.021 1.00 0.00 C ATOM 209 NE2 HIS A 16 7.275 -3.218 -4.232 1.00 0.00 N ATOM 0 H HIS A 16 5.304 -7.378 -2.666 1.00 0.00 H new ATOM 0 HA HIS A 16 3.277 -6.942 -4.699 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.573 -4.644 -4.986 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.480 -4.804 -3.243 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.798 -3.315 -5.850 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.097 -3.625 -2.298 1.00 0.00 H new ATOM 0 HE2 HIS A 16 8.003 -2.631 -4.640 1.00 0.00 H new ATOM 218 N TYR A 17 5.176 -6.758 -6.457 1.00 0.00 N ATOM 219 CA TYR A 17 6.217 -7.072 -7.429 1.00 0.00 C ATOM 220 C TYR A 17 6.179 -6.098 -8.602 1.00 0.00 C ATOM 221 O TYR A 17 5.123 -5.574 -8.957 1.00 0.00 O ATOM 222 CB TYR A 17 6.054 -8.506 -7.937 1.00 0.00 C ATOM 223 CG TYR A 17 4.759 -8.741 -8.682 1.00 0.00 C ATOM 224 CD1 TYR A 17 3.560 -8.899 -7.998 1.00 0.00 C ATOM 225 CD2 TYR A 17 4.735 -8.805 -10.070 1.00 0.00 C ATOM 226 CE1 TYR A 17 2.375 -9.114 -8.675 1.00 0.00 C ATOM 227 CE2 TYR A 17 3.555 -9.018 -10.755 1.00 0.00 C ATOM 228 CZ TYR A 17 2.378 -9.172 -10.053 1.00 0.00 C ATOM 229 OH TYR A 17 1.200 -9.387 -10.732 1.00 0.00 O ATOM 0 H TYR A 17 4.310 -6.405 -6.865 1.00 0.00 H new ATOM 0 HA TYR A 17 7.183 -6.977 -6.932 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.890 -8.747 -8.594 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.106 -9.191 -7.090 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.554 -8.853 -6.919 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.655 -8.686 -10.623 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.452 -9.236 -8.128 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.554 -9.064 -11.834 1.00 0.00 H new ATOM 0 HH TYR A 17 0.852 -8.532 -11.062 1.00 0.00 H new ATOM 239 N THR A 18 7.341 -5.859 -9.202 1.00 0.00 N ATOM 240 CA THR A 18 7.444 -4.948 -10.335 1.00 0.00 C ATOM 241 C THR A 18 7.327 -5.699 -11.656 1.00 0.00 C ATOM 242 O THR A 18 7.555 -6.907 -11.717 1.00 0.00 O ATOM 243 CB THR A 18 8.774 -4.173 -10.314 1.00 0.00 C ATOM 244 OG1 THR A 18 9.839 -5.038 -9.904 1.00 0.00 O ATOM 245 CG2 THR A 18 8.692 -2.981 -9.371 1.00 0.00 C ATOM 0 H THR A 18 8.225 -6.284 -8.922 1.00 0.00 H new ATOM 0 HA THR A 18 6.619 -4.241 -10.248 1.00 0.00 H new ATOM 0 HB THR A 18 8.971 -3.807 -11.322 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.792 -5.877 -10.409 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.643 -2.449 -9.373 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.900 -2.309 -9.702 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.474 -3.330 -8.362 1.00 0.00 H new ATOM 253 N SER A 19 6.970 -4.975 -12.713 1.00 0.00 N ATOM 254 CA SER A 19 6.820 -5.574 -14.034 1.00 0.00 C ATOM 255 C SER A 19 8.161 -6.080 -14.556 1.00 0.00 C ATOM 256 O SER A 19 8.349 -7.281 -14.755 1.00 0.00 O ATOM 257 CB SER A 19 6.229 -4.558 -15.013 1.00 0.00 C ATOM 258 OG SER A 19 6.120 -5.109 -16.315 1.00 0.00 O ATOM 0 H SER A 19 6.779 -3.973 -12.680 1.00 0.00 H new ATOM 0 HA SER A 19 6.141 -6.422 -13.947 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.246 -4.242 -14.665 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.858 -3.668 -15.043 1.00 0.00 H new ATOM 0 HG SER A 19 5.738 -4.441 -16.922 1.00 0.00 H new ATOM 264 N ARG A 20 9.090 -5.156 -14.777 1.00 0.00 N ATOM 265 CA ARG A 20 10.414 -5.507 -15.277 1.00 0.00 C ATOM 266 C ARG A 20 11.002 -6.673 -14.488 1.00 0.00 C ATOM 267 O ARG A 20 11.496 -7.641 -15.066 1.00 0.00 O ATOM 268 CB ARG A 20 11.350 -4.300 -15.197 1.00 0.00 C ATOM 269 CG ARG A 20 12.547 -4.395 -16.128 1.00 0.00 C ATOM 270 CD ARG A 20 12.174 -4.026 -17.556 1.00 0.00 C ATOM 271 NE ARG A 20 11.735 -2.638 -17.665 1.00 0.00 N ATOM 272 CZ ARG A 20 12.548 -1.596 -17.526 1.00 0.00 C ATOM 273 NH1 ARG A 20 13.836 -1.786 -17.273 1.00 0.00 N ATOM 274 NH2 ARG A 20 12.073 -0.363 -17.640 1.00 0.00 N ATOM 0 H ARG A 20 8.950 -4.158 -14.618 1.00 0.00 H new ATOM 0 HA ARG A 20 10.312 -5.810 -16.319 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.787 -3.398 -15.434 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.705 -4.194 -14.172 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.337 -3.733 -15.775 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.947 -5.409 -16.106 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.032 -4.187 -18.208 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.380 -4.686 -17.905 1.00 0.00 H new ATOM 0 HE ARG A 20 10.750 -2.458 -17.859 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.204 -2.733 -17.185 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.458 -0.985 -17.167 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.083 -0.214 -17.835 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.698 0.436 -17.533 1.00 0.00 H new ATOM 288 N ASP A 21 10.946 -6.573 -13.164 1.00 0.00 N ATOM 289 CA ASP A 21 11.472 -7.619 -12.295 1.00 0.00 C ATOM 290 C ASP A 21 10.362 -8.226 -11.443 1.00 0.00 C ATOM 291 O ASP A 21 9.719 -7.532 -10.657 1.00 0.00 O ATOM 292 CB ASP A 21 12.574 -7.057 -11.395 1.00 0.00 C ATOM 293 CG ASP A 21 13.837 -6.724 -12.166 1.00 0.00 C ATOM 294 OD1 ASP A 21 13.733 -6.050 -13.212 1.00 0.00 O ATOM 295 OD2 ASP A 21 14.928 -7.137 -11.722 1.00 0.00 O ATOM 0 H ASP A 21 10.541 -5.778 -12.669 1.00 0.00 H new ATOM 0 HA ASP A 21 11.892 -8.403 -12.924 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.209 -6.159 -10.896 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.808 -7.782 -10.616 1.00 0.00 H new ATOM 300 N ASN A 22 10.143 -9.527 -11.605 1.00 0.00 N ATOM 301 CA ASN A 22 9.110 -10.228 -10.851 1.00 0.00 C ATOM 302 C ASN A 22 9.637 -10.673 -9.490 1.00 0.00 C ATOM 303 O ASN A 22 9.361 -11.785 -9.038 1.00 0.00 O ATOM 304 CB ASN A 22 8.610 -11.441 -11.638 1.00 0.00 C ATOM 305 CG ASN A 22 8.117 -11.069 -13.023 1.00 0.00 C ATOM 306 OD1 ASN A 22 6.979 -10.631 -13.192 1.00 0.00 O ATOM 307 ND2 ASN A 22 8.974 -11.243 -14.022 1.00 0.00 N ATOM 0 H ASN A 22 10.667 -10.117 -12.251 1.00 0.00 H new ATOM 0 HA ASN A 22 8.281 -9.539 -10.692 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.415 -12.171 -11.726 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.803 -11.922 -11.085 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.699 -11.011 -14.976 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.908 -11.609 -13.835 1.00 0.00 H new ATOM 314 N LEU A 23 10.395 -9.796 -8.840 1.00 0.00 N ATOM 315 CA LEU A 23 10.960 -10.097 -7.530 1.00 0.00 C ATOM 316 C LEU A 23 10.018 -9.652 -6.415 1.00 0.00 C ATOM 317 O LEU A 23 10.113 -8.529 -5.921 1.00 0.00 O ATOM 318 CB LEU A 23 12.318 -9.412 -7.369 1.00 0.00 C ATOM 319 CG LEU A 23 13.000 -9.585 -6.011 1.00 0.00 C ATOM 320 CD1 LEU A 23 13.245 -11.057 -5.720 1.00 0.00 C ATOM 321 CD2 LEU A 23 14.307 -8.806 -5.968 1.00 0.00 C ATOM 0 H LEU A 23 10.632 -8.871 -9.199 1.00 0.00 H new ATOM 0 HA LEU A 23 11.093 -11.176 -7.459 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.988 -9.792 -8.141 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.189 -8.346 -7.555 1.00 0.00 H new ATOM 0 HG LEU A 23 12.338 -9.189 -5.241 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.731 -11.160 -4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.294 -11.589 -5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.886 -11.479 -6.494 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.779 -8.940 -4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.974 -9.172 -6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 23 14.105 -7.747 -6.130 1.00 0.00 H new ATOM 333 N ARG A 24 9.112 -10.542 -6.023 1.00 0.00 N ATOM 334 CA ARG A 24 8.154 -10.241 -4.966 1.00 0.00 C ATOM 335 C ARG A 24 8.860 -9.680 -3.736 1.00 0.00 C ATOM 336 O ARG A 24 9.946 -10.130 -3.370 1.00 0.00 O ATOM 337 CB ARG A 24 7.368 -11.498 -4.588 1.00 0.00 C ATOM 338 CG ARG A 24 6.248 -11.240 -3.593 1.00 0.00 C ATOM 339 CD ARG A 24 5.101 -12.220 -3.780 1.00 0.00 C ATOM 340 NE ARG A 24 4.443 -12.053 -5.073 1.00 0.00 N ATOM 341 CZ ARG A 24 3.279 -12.614 -5.384 1.00 0.00 C ATOM 342 NH1 ARG A 24 2.649 -13.374 -4.499 1.00 0.00 N ATOM 343 NH2 ARG A 24 2.744 -12.414 -6.582 1.00 0.00 N ATOM 0 H ARG A 24 9.021 -11.477 -6.421 1.00 0.00 H new ATOM 0 HA ARG A 24 7.462 -9.487 -5.341 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.946 -11.938 -5.492 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.054 -12.233 -4.167 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.636 -11.321 -2.578 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.881 -10.221 -3.713 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.478 -13.239 -3.694 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.372 -12.081 -2.982 1.00 0.00 H new ATOM 0 HE ARG A 24 4.902 -11.474 -5.776 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.058 -13.529 -3.577 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.756 -13.804 -4.740 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.226 -11.829 -7.265 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.851 -12.845 -6.820 1.00 0.00 H new ATOM 357 N LYS A 25 8.236 -8.693 -3.101 1.00 0.00 N ATOM 358 CA LYS A 25 8.803 -8.070 -1.911 1.00 0.00 C ATOM 359 C LYS A 25 7.772 -8.002 -0.789 1.00 0.00 C ATOM 360 O LYS A 25 6.684 -7.454 -0.965 1.00 0.00 O ATOM 361 CB LYS A 25 9.309 -6.663 -2.239 1.00 0.00 C ATOM 362 CG LYS A 25 10.663 -6.649 -2.928 1.00 0.00 C ATOM 363 CD LYS A 25 10.992 -5.273 -3.483 1.00 0.00 C ATOM 364 CE LYS A 25 12.042 -5.351 -4.580 1.00 0.00 C ATOM 365 NZ LYS A 25 11.478 -5.882 -5.852 1.00 0.00 N ATOM 0 H LYS A 25 7.337 -8.308 -3.391 1.00 0.00 H new ATOM 0 HA LYS A 25 9.640 -8.682 -1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.580 -6.164 -2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.374 -6.085 -1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.435 -6.951 -2.221 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.668 -7.379 -3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.086 -4.812 -3.877 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.352 -4.632 -2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.459 -4.359 -4.754 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.863 -5.989 -4.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.212 -5.872 -6.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.148 -6.857 -5.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.679 -5.288 -6.152 1.00 0.00 H new ATOM 379 N ARG A 26 8.122 -8.561 0.365 1.00 0.00 N ATOM 380 CA ARG A 26 7.227 -8.563 1.516 1.00 0.00 C ATOM 381 C ARG A 26 7.747 -7.635 2.611 1.00 0.00 C ATOM 382 O ARG A 26 8.845 -7.828 3.133 1.00 0.00 O ATOM 383 CB ARG A 26 7.072 -9.982 2.066 1.00 0.00 C ATOM 384 CG ARG A 26 6.129 -10.075 3.254 1.00 0.00 C ATOM 385 CD ARG A 26 6.396 -11.322 4.081 1.00 0.00 C ATOM 386 NE ARG A 26 6.313 -12.540 3.279 1.00 0.00 N ATOM 387 CZ ARG A 26 6.327 -13.763 3.796 1.00 0.00 C ATOM 388 NH1 ARG A 26 6.421 -13.931 5.107 1.00 0.00 N ATOM 389 NH2 ARG A 26 6.247 -14.822 3.000 1.00 0.00 N ATOM 0 H ARG A 26 9.019 -9.018 0.528 1.00 0.00 H new ATOM 0 HA ARG A 26 6.253 -8.200 1.188 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.707 -10.633 1.271 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.052 -10.357 2.361 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.243 -9.190 3.881 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.098 -10.085 2.901 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.386 -11.252 4.533 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.676 -11.376 4.898 1.00 0.00 H new ATOM 0 HE ARG A 26 6.240 -12.446 2.266 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.483 -13.120 5.722 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.431 -14.872 5.501 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.175 -14.697 1.990 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.258 -15.761 3.398 1.00 0.00 H new ATOM 403 N HIS A 27 6.950 -6.628 2.954 1.00 0.00 N ATOM 404 CA HIS A 27 7.330 -5.671 3.987 1.00 0.00 C ATOM 405 C HIS A 27 6.095 -5.101 4.679 1.00 0.00 C ATOM 406 O HIS A 27 4.978 -5.224 4.177 1.00 0.00 O ATOM 407 CB HIS A 27 8.158 -4.537 3.381 1.00 0.00 C ATOM 408 CG HIS A 27 9.321 -5.014 2.567 1.00 0.00 C ATOM 409 ND1 HIS A 27 9.451 -4.756 1.219 1.00 0.00 N ATOM 410 CD2 HIS A 27 10.412 -5.734 2.918 1.00 0.00 C ATOM 411 CE1 HIS A 27 10.571 -5.299 0.775 1.00 0.00 C ATOM 412 NE2 HIS A 27 11.173 -5.898 1.787 1.00 0.00 N ATOM 0 H HIS A 27 6.038 -6.454 2.532 1.00 0.00 H new ATOM 0 HA HIS A 27 7.933 -6.194 4.729 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.513 -3.923 2.753 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.525 -3.897 4.183 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.641 -6.110 3.904 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.933 -5.260 -0.242 1.00 0.00 H new ATOM 0 HE2 HIS A 27 12.059 -6.401 1.736 1.00 0.00 H new ATOM 421 N TYR A 28 6.305 -4.480 5.835 1.00 0.00 N ATOM 422 CA TYR A 28 5.209 -3.895 6.598 1.00 0.00 C ATOM 423 C TYR A 28 4.702 -2.619 5.932 1.00 0.00 C ATOM 424 O TYR A 28 5.230 -1.532 6.165 1.00 0.00 O ATOM 425 CB TYR A 28 5.660 -3.592 8.028 1.00 0.00 C ATOM 426 CG TYR A 28 4.547 -3.685 9.046 1.00 0.00 C ATOM 427 CD1 TYR A 28 3.751 -2.583 9.336 1.00 0.00 C ATOM 428 CD2 TYR A 28 4.291 -4.873 9.719 1.00 0.00 C ATOM 429 CE1 TYR A 28 2.733 -2.662 10.267 1.00 0.00 C ATOM 430 CE2 TYR A 28 3.274 -4.962 10.650 1.00 0.00 C ATOM 431 CZ TYR A 28 2.498 -3.854 10.920 1.00 0.00 C ATOM 432 OH TYR A 28 1.485 -3.938 11.848 1.00 0.00 O ATOM 0 H TYR A 28 7.224 -4.369 6.264 1.00 0.00 H new ATOM 0 HA TYR A 28 4.393 -4.618 6.627 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.453 -4.287 8.305 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.088 -2.590 8.060 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.931 -1.649 8.825 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.897 -5.742 9.511 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.125 -1.796 10.482 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.088 -5.894 11.163 1.00 0.00 H new ATOM 0 HH TYR A 28 1.452 -4.846 12.215 1.00 0.00 H new ATOM 442 N TRP A 29 3.674 -2.762 5.103 1.00 0.00 N ATOM 443 CA TRP A 29 3.094 -1.621 4.403 1.00 0.00 C ATOM 444 C TRP A 29 2.225 -0.791 5.341 1.00 0.00 C ATOM 445 O TRP A 29 1.406 -1.332 6.085 1.00 0.00 O ATOM 446 CB TRP A 29 2.265 -2.098 3.209 1.00 0.00 C ATOM 447 CG TRP A 29 3.063 -2.226 1.946 1.00 0.00 C ATOM 448 CD1 TRP A 29 4.259 -2.867 1.794 1.00 0.00 C ATOM 449 CD2 TRP A 29 2.722 -1.699 0.660 1.00 0.00 C ATOM 450 NE1 TRP A 29 4.682 -2.770 0.490 1.00 0.00 N ATOM 451 CE2 TRP A 29 3.756 -2.059 -0.226 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.642 -0.959 0.169 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.741 -1.703 -1.572 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.629 -0.607 -1.167 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.672 -0.979 -2.025 1.00 0.00 C ATOM 0 H TRP A 29 3.225 -3.655 4.899 1.00 0.00 H new ATOM 0 HA TRP A 29 3.910 -0.994 4.044 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.819 -3.063 3.448 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.445 -1.400 3.043 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.794 -3.375 2.583 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.546 -3.164 0.116 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.833 -0.668 0.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.545 -1.988 -2.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.800 -0.035 -1.557 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.632 -0.689 -3.064 1.00 0.00 H new ATOM 466 N ARG A 30 2.408 0.524 5.302 1.00 0.00 N ATOM 467 CA ARG A 30 1.640 1.428 6.150 1.00 0.00 C ATOM 468 C ARG A 30 1.255 2.693 5.388 1.00 0.00 C ATOM 469 O ARG A 30 2.104 3.351 4.785 1.00 0.00 O ATOM 470 CB ARG A 30 2.445 1.798 7.397 1.00 0.00 C ATOM 471 CG ARG A 30 3.039 0.597 8.116 1.00 0.00 C ATOM 472 CD ARG A 30 3.203 0.864 9.604 1.00 0.00 C ATOM 473 NE ARG A 30 4.513 1.427 9.919 1.00 0.00 N ATOM 474 CZ ARG A 30 4.789 2.725 9.860 1.00 0.00 C ATOM 475 NH1 ARG A 30 3.851 3.589 9.500 1.00 0.00 N ATOM 476 NH2 ARG A 30 6.006 3.160 10.161 1.00 0.00 N ATOM 0 H ARG A 30 3.081 0.988 4.692 1.00 0.00 H new ATOM 0 HA ARG A 30 0.728 0.914 6.453 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.250 2.475 7.112 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.800 2.342 8.087 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.396 -0.271 7.970 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.008 0.353 7.680 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.424 1.550 9.937 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.066 -0.066 10.156 1.00 0.00 H new ATOM 0 HE ARG A 30 5.257 0.788 10.200 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.915 3.258 9.268 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.065 4.585 9.455 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.730 2.497 10.438 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.217 4.157 10.115 1.00 0.00 H new ATOM 490 N LEU A 31 -0.031 3.026 5.417 1.00 0.00 N ATOM 491 CA LEU A 31 -0.530 4.212 4.729 1.00 0.00 C ATOM 492 C LEU A 31 -1.025 5.253 5.727 1.00 0.00 C ATOM 493 O LEU A 31 -1.610 4.913 6.756 1.00 0.00 O ATOM 494 CB LEU A 31 -1.659 3.831 3.770 1.00 0.00 C ATOM 495 CG LEU A 31 -2.573 4.972 3.323 1.00 0.00 C ATOM 496 CD1 LEU A 31 -1.935 5.753 2.184 1.00 0.00 C ATOM 497 CD2 LEU A 31 -3.934 4.433 2.906 1.00 0.00 C ATOM 0 H LEU A 31 -0.747 2.492 5.909 1.00 0.00 H new ATOM 0 HA LEU A 31 0.293 4.645 4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.217 3.377 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.272 3.067 4.248 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.715 5.649 4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.600 6.561 1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.985 6.171 2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.762 5.087 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.572 5.259 2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.811 3.734 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.396 3.919 3.749 1.00 0.00 H new ATOM 509 N ASP A 32 -0.789 6.523 5.416 1.00 0.00 N ATOM 510 CA ASP A 32 -1.214 7.615 6.285 1.00 0.00 C ATOM 511 C ASP A 32 -1.855 8.736 5.473 1.00 0.00 C ATOM 512 O ASP A 32 -1.803 8.734 4.243 1.00 0.00 O ATOM 513 CB ASP A 32 -0.023 8.158 7.077 1.00 0.00 C ATOM 514 CG ASP A 32 0.956 7.069 7.469 1.00 0.00 C ATOM 515 OD1 ASP A 32 0.738 6.423 8.515 1.00 0.00 O ATOM 516 OD2 ASP A 32 1.940 6.862 6.728 1.00 0.00 O ATOM 0 H ASP A 32 -0.306 6.822 4.569 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.956 7.225 6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.494 8.910 6.481 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.385 8.658 7.975 1.00 0.00 H new ATOM 521 N SER A 33 -2.460 9.693 6.170 1.00 0.00 N ATOM 522 CA SER A 33 -3.116 10.818 5.514 1.00 0.00 C ATOM 523 C SER A 33 -2.105 11.660 4.741 1.00 0.00 C ATOM 524 O SER A 33 -2.478 12.518 3.941 1.00 0.00 O ATOM 525 CB SER A 33 -3.837 11.687 6.546 1.00 0.00 C ATOM 526 OG SER A 33 -4.480 12.787 5.926 1.00 0.00 O ATOM 0 H SER A 33 -2.509 9.712 7.189 1.00 0.00 H new ATOM 0 HA SER A 33 -3.847 10.421 4.810 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.572 11.087 7.082 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.122 12.049 7.285 1.00 0.00 H new ATOM 0 HG SER A 33 -4.009 13.017 5.098 1.00 0.00 H new ATOM 532 N LYS A 34 -0.824 11.408 4.986 1.00 0.00 N ATOM 533 CA LYS A 34 0.242 12.140 4.314 1.00 0.00 C ATOM 534 C LYS A 34 0.738 11.377 3.089 1.00 0.00 C ATOM 535 O LYS A 34 0.517 11.798 1.953 1.00 0.00 O ATOM 536 CB LYS A 34 1.405 12.389 5.277 1.00 0.00 C ATOM 537 CG LYS A 34 2.432 13.376 4.750 1.00 0.00 C ATOM 538 CD LYS A 34 1.908 14.801 4.791 1.00 0.00 C ATOM 539 CE LYS A 34 3.014 15.810 4.521 1.00 0.00 C ATOM 540 NZ LYS A 34 2.678 17.158 5.055 1.00 0.00 N ATOM 0 H LYS A 34 -0.499 10.701 5.646 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.161 13.098 3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.009 12.760 6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.900 11.441 5.488 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.344 13.305 5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.697 13.114 3.726 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.117 14.920 4.051 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.464 14.999 5.767 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.942 15.461 4.974 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.189 15.878 3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.457 17.816 4.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.806 17.502 4.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.536 17.098 6.084 1.00 0.00 H new ATOM 554 N CYS A 35 1.407 10.255 3.328 1.00 0.00 N ATOM 555 CA CYS A 35 1.932 9.433 2.244 1.00 0.00 C ATOM 556 C CYS A 35 2.185 8.005 2.717 1.00 0.00 C ATOM 557 O CYS A 35 2.264 7.743 3.918 1.00 0.00 O ATOM 558 CB CYS A 35 3.226 10.039 1.698 1.00 0.00 C ATOM 559 SG CYS A 35 4.274 10.801 2.959 1.00 0.00 S ATOM 0 H CYS A 35 1.599 9.894 4.262 1.00 0.00 H new ATOM 0 HA CYS A 35 1.187 9.406 1.448 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.794 9.259 1.191 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.975 10.789 0.948 1.00 0.00 H new ATOM 0 HG CYS A 35 5.345 11.283 2.400 1.00 0.00 H new ATOM 565 N LEU A 36 2.309 7.086 1.766 1.00 0.00 N ATOM 566 CA LEU A 36 2.551 5.683 2.086 1.00 0.00 C ATOM 567 C LEU A 36 4.039 5.422 2.299 1.00 0.00 C ATOM 568 O LEU A 36 4.888 6.078 1.696 1.00 0.00 O ATOM 569 CB LEU A 36 2.019 4.786 0.967 1.00 0.00 C ATOM 570 CG LEU A 36 2.315 3.292 1.107 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.326 2.639 2.061 1.00 0.00 C ATOM 572 CD2 LEU A 36 2.275 2.611 -0.254 1.00 0.00 C ATOM 0 H LEU A 36 2.246 7.286 0.768 1.00 0.00 H new ATOM 0 HA LEU A 36 2.024 5.450 3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.939 4.918 0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.437 5.132 0.022 1.00 0.00 H new ATOM 0 HG LEU A 36 3.317 3.176 1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.552 1.576 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.403 3.108 3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.313 2.764 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.488 1.549 -0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.286 2.736 -0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.023 3.060 -0.908 1.00 0.00 H new ATOM 584 N THR A 37 4.348 4.457 3.159 1.00 0.00 N ATOM 585 CA THR A 37 5.732 4.107 3.451 1.00 0.00 C ATOM 586 C THR A 37 5.874 2.618 3.741 1.00 0.00 C ATOM 587 O THR A 37 4.918 1.962 4.156 1.00 0.00 O ATOM 588 CB THR A 37 6.272 4.906 4.653 1.00 0.00 C ATOM 589 OG1 THR A 37 5.782 6.251 4.607 1.00 0.00 O ATOM 590 CG2 THR A 37 7.793 4.915 4.658 1.00 0.00 C ATOM 0 H THR A 37 3.657 3.903 3.666 1.00 0.00 H new ATOM 0 HA THR A 37 6.315 4.359 2.565 1.00 0.00 H new ATOM 0 HB THR A 37 5.925 4.424 5.567 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.128 6.752 5.375 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.151 5.485 5.516 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.163 3.892 4.723 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.157 5.375 3.739 1.00 0.00 H new ATOM 598 N LEU A 38 7.072 2.088 3.520 1.00 0.00 N ATOM 599 CA LEU A 38 7.340 0.674 3.759 1.00 0.00 C ATOM 600 C LEU A 38 8.412 0.496 4.829 1.00 0.00 C ATOM 601 O LEU A 38 9.074 1.455 5.225 1.00 0.00 O ATOM 602 CB LEU A 38 7.780 -0.007 2.462 1.00 0.00 C ATOM 603 CG LEU A 38 6.658 -0.444 1.519 1.00 0.00 C ATOM 604 CD1 LEU A 38 6.181 0.730 0.678 1.00 0.00 C ATOM 605 CD2 LEU A 38 7.124 -1.586 0.628 1.00 0.00 C ATOM 0 H LEU A 38 7.874 2.616 3.176 1.00 0.00 H new ATOM 0 HA LEU A 38 6.420 0.209 4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.437 0.675 1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.374 -0.884 2.719 1.00 0.00 H new ATOM 0 HG LEU A 38 5.821 -0.798 2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.383 0.401 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.807 1.518 1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.011 1.114 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.313 -1.884 -0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.978 -1.259 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.416 -2.434 1.247 1.00 0.00 H new ATOM 617 N PHE A 39 8.578 -0.739 5.293 1.00 0.00 N ATOM 618 CA PHE A 39 9.570 -1.044 6.317 1.00 0.00 C ATOM 619 C PHE A 39 10.214 -2.403 6.063 1.00 0.00 C ATOM 620 O PHE A 39 9.540 -3.432 6.076 1.00 0.00 O ATOM 621 CB PHE A 39 8.925 -1.024 7.704 1.00 0.00 C ATOM 622 CG PHE A 39 8.878 0.343 8.325 1.00 0.00 C ATOM 623 CD1 PHE A 39 7.974 1.292 7.875 1.00 0.00 C ATOM 624 CD2 PHE A 39 9.738 0.680 9.357 1.00 0.00 C ATOM 625 CE1 PHE A 39 7.929 2.551 8.443 1.00 0.00 C ATOM 626 CE2 PHE A 39 9.697 1.937 9.930 1.00 0.00 C ATOM 627 CZ PHE A 39 8.792 2.874 9.472 1.00 0.00 C ATOM 0 H PHE A 39 8.038 -1.544 4.976 1.00 0.00 H new ATOM 0 HA PHE A 39 10.346 -0.280 6.274 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.910 -1.415 7.629 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.478 -1.694 8.362 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.297 1.045 7.071 1.00 0.00 H new ATOM 0 HD2 PHE A 39 10.449 -0.048 9.718 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.220 3.282 8.083 1.00 0.00 H new ATOM 0 HE2 PHE A 39 10.372 2.186 10.735 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.759 3.857 9.917 1.00 0.00 H new ATOM 637 N GLN A 40 11.523 -2.397 5.831 1.00 0.00 N ATOM 638 CA GLN A 40 12.258 -3.629 5.572 1.00 0.00 C ATOM 639 C GLN A 40 11.731 -4.770 6.436 1.00 0.00 C ATOM 640 O GLN A 40 11.472 -5.867 5.943 1.00 0.00 O ATOM 641 CB GLN A 40 13.751 -3.422 5.835 1.00 0.00 C ATOM 642 CG GLN A 40 14.577 -4.688 5.677 1.00 0.00 C ATOM 643 CD GLN A 40 15.954 -4.568 6.301 1.00 0.00 C ATOM 644 OE1 GLN A 40 16.085 -4.360 7.507 1.00 0.00 O ATOM 645 NE2 GLN A 40 16.989 -4.700 5.481 1.00 0.00 N ATOM 0 H GLN A 40 12.096 -1.553 5.817 1.00 0.00 H new ATOM 0 HA GLN A 40 12.114 -3.895 4.525 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.130 -2.663 5.151 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.883 -3.035 6.845 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.046 -5.523 6.135 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.681 -4.919 4.617 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.834 -4.872 4.488 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.940 -4.630 5.844 1.00 0.00 H new ATOM 654 N ASN A 41 11.575 -4.502 7.729 1.00 0.00 N ATOM 655 CA ASN A 41 11.079 -5.507 8.663 1.00 0.00 C ATOM 656 C ASN A 41 10.226 -4.864 9.752 1.00 0.00 C ATOM 657 O ASN A 41 10.150 -3.640 9.851 1.00 0.00 O ATOM 658 CB ASN A 41 12.247 -6.266 9.296 1.00 0.00 C ATOM 659 CG ASN A 41 11.881 -7.692 9.659 1.00 0.00 C ATOM 660 OD1 ASN A 41 10.747 -8.125 9.454 1.00 0.00 O ATOM 661 ND2 ASN A 41 12.843 -8.429 10.202 1.00 0.00 N ATOM 0 H ASN A 41 11.785 -3.598 8.153 1.00 0.00 H new ATOM 0 HA ASN A 41 10.458 -6.209 8.106 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.089 -6.275 8.604 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.576 -5.739 10.192 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.656 -9.396 10.468 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.769 -8.028 10.353 1.00 0.00 H new ATOM 755 N TYR A 48 12.666 1.589 4.003 1.00 0.00 N ATOM 756 CA TYR A 48 13.142 1.116 2.709 1.00 0.00 C ATOM 757 C TYR A 48 12.819 2.122 1.609 1.00 0.00 C ATOM 758 O TYR A 48 13.715 2.740 1.032 1.00 0.00 O ATOM 759 CB TYR A 48 12.516 -0.239 2.376 1.00 0.00 C ATOM 760 CG TYR A 48 12.837 -0.729 0.982 1.00 0.00 C ATOM 761 CD1 TYR A 48 14.153 -0.909 0.574 1.00 0.00 C ATOM 762 CD2 TYR A 48 11.825 -1.011 0.072 1.00 0.00 C ATOM 763 CE1 TYR A 48 14.452 -1.355 -0.699 1.00 0.00 C ATOM 764 CE2 TYR A 48 12.115 -1.459 -1.202 1.00 0.00 C ATOM 765 CZ TYR A 48 13.429 -1.629 -1.583 1.00 0.00 C ATOM 766 OH TYR A 48 13.722 -2.074 -2.852 1.00 0.00 O ATOM 0 HA TYR A 48 14.225 1.004 2.768 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.862 -0.977 3.100 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.434 -0.167 2.486 1.00 0.00 H new ATOM 0 HD1 TYR A 48 14.956 -0.697 1.264 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.794 -0.878 0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 48 15.481 -1.488 -1.000 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.316 -1.675 -1.896 1.00 0.00 H new ATOM 0 HH TYR A 48 12.889 -2.221 -3.347 1.00 0.00 H new ATOM 776 N LYS A 49 11.531 2.282 1.322 1.00 0.00 N ATOM 777 CA LYS A 49 11.086 3.214 0.293 1.00 0.00 C ATOM 778 C LYS A 49 9.719 3.796 0.640 1.00 0.00 C ATOM 779 O LYS A 49 8.880 3.119 1.233 1.00 0.00 O ATOM 780 CB LYS A 49 11.024 2.514 -1.066 1.00 0.00 C ATOM 781 CG LYS A 49 12.330 2.573 -1.840 1.00 0.00 C ATOM 782 CD LYS A 49 12.273 1.717 -3.095 1.00 0.00 C ATOM 783 CE LYS A 49 13.637 1.608 -3.757 1.00 0.00 C ATOM 784 NZ LYS A 49 14.680 1.137 -2.804 1.00 0.00 N ATOM 0 H LYS A 49 10.777 1.778 1.788 1.00 0.00 H new ATOM 0 HA LYS A 49 11.806 4.030 0.242 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.747 1.471 -0.916 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.235 2.970 -1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.546 3.606 -2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.147 2.233 -1.203 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.910 0.721 -2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.559 2.147 -3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.578 0.919 -4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.924 2.580 -4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.509 0.802 -3.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.961 1.921 -2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.299 0.358 -2.230 1.00 0.00 H new ATOM 798 N GLU A 50 9.503 5.053 0.265 1.00 0.00 N ATOM 799 CA GLU A 50 8.237 5.723 0.537 1.00 0.00 C ATOM 800 C GLU A 50 7.488 6.017 -0.760 1.00 0.00 C ATOM 801 O GLU A 50 8.097 6.320 -1.786 1.00 0.00 O ATOM 802 CB GLU A 50 8.478 7.024 1.306 1.00 0.00 C ATOM 803 CG GLU A 50 9.380 8.004 0.576 1.00 0.00 C ATOM 804 CD GLU A 50 8.604 8.973 -0.296 1.00 0.00 C ATOM 805 OE1 GLU A 50 7.519 9.419 0.132 1.00 0.00 O ATOM 806 OE2 GLU A 50 9.083 9.284 -1.407 1.00 0.00 O ATOM 0 H GLU A 50 10.187 5.627 -0.227 1.00 0.00 H new ATOM 0 HA GLU A 50 7.626 5.057 1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.519 7.503 1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.920 6.788 2.274 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.965 8.565 1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.087 7.450 -0.042 1.00 0.00 H new ATOM 813 N ILE A 51 6.163 5.926 -0.704 1.00 0.00 N ATOM 814 CA ILE A 51 5.331 6.182 -1.873 1.00 0.00 C ATOM 815 C ILE A 51 4.331 7.301 -1.601 1.00 0.00 C ATOM 816 O ILE A 51 3.235 7.076 -1.087 1.00 0.00 O ATOM 817 CB ILE A 51 4.565 4.919 -2.308 1.00 0.00 C ATOM 818 CG1 ILE A 51 5.545 3.790 -2.634 1.00 0.00 C ATOM 819 CG2 ILE A 51 3.679 5.222 -3.507 1.00 0.00 C ATOM 820 CD1 ILE A 51 4.913 2.416 -2.610 1.00 0.00 C ATOM 0 H ILE A 51 5.643 5.677 0.138 1.00 0.00 H new ATOM 0 HA ILE A 51 6.002 6.484 -2.677 1.00 0.00 H new ATOM 0 HB ILE A 51 3.928 4.596 -1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.975 3.966 -3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.367 3.816 -1.919 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.145 4.319 -3.802 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.961 5.998 -3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.296 5.566 -4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.666 1.665 -2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.508 2.219 -1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.109 2.372 -3.345 1.00 0.00 H new ATOM 832 N PRO A 52 4.714 8.537 -1.955 1.00 0.00 N ATOM 833 CA PRO A 52 3.864 9.715 -1.761 1.00 0.00 C ATOM 834 C PRO A 52 2.656 9.718 -2.690 1.00 0.00 C ATOM 835 O PRO A 52 2.763 9.368 -3.866 1.00 0.00 O ATOM 836 CB PRO A 52 4.797 10.883 -2.092 1.00 0.00 C ATOM 837 CG PRO A 52 5.818 10.304 -3.010 1.00 0.00 C ATOM 838 CD PRO A 52 6.007 8.878 -2.572 1.00 0.00 C ATOM 0 HA PRO A 52 3.447 9.756 -0.755 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.255 11.700 -2.568 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.259 11.288 -1.192 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.484 10.353 -4.046 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.755 10.858 -2.951 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.235 8.225 -3.415 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.829 8.781 -1.863 1.00 0.00 H new ATOM 846 N LEU A 53 1.506 10.115 -2.157 1.00 0.00 N ATOM 847 CA LEU A 53 0.276 10.165 -2.939 1.00 0.00 C ATOM 848 C LEU A 53 0.522 10.809 -4.300 1.00 0.00 C ATOM 849 O LEU A 53 -0.035 10.379 -5.311 1.00 0.00 O ATOM 850 CB LEU A 53 -0.803 10.941 -2.182 1.00 0.00 C ATOM 851 CG LEU A 53 -1.087 10.475 -0.754 1.00 0.00 C ATOM 852 CD1 LEU A 53 -1.991 11.467 -0.039 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.712 9.088 -0.759 1.00 0.00 C ATOM 0 H LEU A 53 1.400 10.407 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.066 9.142 -3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.512 11.991 -2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.730 10.885 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.141 10.423 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.182 11.119 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.505 12.442 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.935 11.552 -0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.907 8.773 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.649 9.113 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.028 8.383 -1.231 1.00 0.00 H new ATOM 865 N SER A 54 1.360 11.840 -4.318 1.00 0.00 N ATOM 866 CA SER A 54 1.678 12.545 -5.554 1.00 0.00 C ATOM 867 C SER A 54 2.295 11.596 -6.577 1.00 0.00 C ATOM 868 O SER A 54 2.029 11.699 -7.774 1.00 0.00 O ATOM 869 CB SER A 54 2.638 13.703 -5.273 1.00 0.00 C ATOM 870 OG SER A 54 3.924 13.225 -4.921 1.00 0.00 O ATOM 0 H SER A 54 1.831 12.206 -3.491 1.00 0.00 H new ATOM 0 HA SER A 54 0.750 12.943 -5.965 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.712 14.340 -6.154 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.242 14.320 -4.466 1.00 0.00 H new ATOM 0 HG SER A 54 4.519 13.984 -4.748 1.00 0.00 H new ATOM 876 N GLU A 55 3.120 10.671 -6.096 1.00 0.00 N ATOM 877 CA GLU A 55 3.775 9.703 -6.968 1.00 0.00 C ATOM 878 C GLU A 55 2.749 8.796 -7.642 1.00 0.00 C ATOM 879 O GLU A 55 2.753 8.638 -8.863 1.00 0.00 O ATOM 880 CB GLU A 55 4.773 8.860 -6.172 1.00 0.00 C ATOM 881 CG GLU A 55 5.329 7.680 -6.951 1.00 0.00 C ATOM 882 CD GLU A 55 6.492 8.066 -7.844 1.00 0.00 C ATOM 883 OE1 GLU A 55 7.615 8.225 -7.321 1.00 0.00 O ATOM 884 OE2 GLU A 55 6.279 8.208 -9.066 1.00 0.00 O ATOM 0 H GLU A 55 3.351 10.572 -5.107 1.00 0.00 H new ATOM 0 HA GLU A 55 4.311 10.253 -7.741 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.599 9.495 -5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.286 8.492 -5.269 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.653 6.908 -6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.536 7.246 -7.560 1.00 0.00 H new ATOM 891 N ILE A 56 1.874 8.203 -6.838 1.00 0.00 N ATOM 892 CA ILE A 56 0.842 7.313 -7.356 1.00 0.00 C ATOM 893 C ILE A 56 -0.091 8.049 -8.311 1.00 0.00 C ATOM 894 O ILE A 56 -0.872 8.907 -7.896 1.00 0.00 O ATOM 895 CB ILE A 56 0.010 6.694 -6.218 1.00 0.00 C ATOM 896 CG1 ILE A 56 0.907 5.875 -5.287 1.00 0.00 C ATOM 897 CG2 ILE A 56 -1.103 5.827 -6.787 1.00 0.00 C ATOM 898 CD1 ILE A 56 0.277 5.585 -3.943 1.00 0.00 C ATOM 0 H ILE A 56 1.859 8.322 -5.825 1.00 0.00 H new ATOM 0 HA ILE A 56 1.354 6.516 -7.895 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.442 7.499 -5.640 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.157 4.932 -5.773 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.843 6.412 -5.132 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.682 5.396 -5.970 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.755 6.436 -7.413 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.670 5.026 -7.386 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.968 5.001 -3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.052 6.524 -3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.644 5.021 -4.087 1.00 0.00 H new ATOM 910 N LEU A 57 -0.006 7.709 -9.592 1.00 0.00 N ATOM 911 CA LEU A 57 -0.845 8.336 -10.608 1.00 0.00 C ATOM 912 C LEU A 57 -2.291 7.869 -10.484 1.00 0.00 C ATOM 913 O LEU A 57 -3.193 8.670 -10.234 1.00 0.00 O ATOM 914 CB LEU A 57 -0.312 8.017 -12.005 1.00 0.00 C ATOM 915 CG LEU A 57 1.070 8.579 -12.342 1.00 0.00 C ATOM 916 CD1 LEU A 57 1.612 7.940 -13.611 1.00 0.00 C ATOM 917 CD2 LEU A 57 1.008 10.093 -12.489 1.00 0.00 C ATOM 0 H LEU A 57 0.635 7.003 -9.952 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.817 9.414 -10.453 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.279 6.934 -12.121 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.024 8.395 -12.739 1.00 0.00 H new ATOM 0 HG LEU A 57 1.748 8.340 -11.522 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.596 8.353 -13.835 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.694 6.862 -13.469 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.935 8.146 -14.440 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.000 10.476 -12.729 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.315 10.353 -13.290 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.664 10.536 -11.554 1.00 0.00 H new ATOM 929 N ARG A 58 -2.505 6.569 -10.657 1.00 0.00 N ATOM 930 CA ARG A 58 -3.842 5.996 -10.564 1.00 0.00 C ATOM 931 C ARG A 58 -3.789 4.474 -10.659 1.00 0.00 C ATOM 932 O ARG A 58 -2.722 3.891 -10.859 1.00 0.00 O ATOM 933 CB ARG A 58 -4.739 6.555 -11.669 1.00 0.00 C ATOM 934 CG ARG A 58 -4.475 5.944 -13.036 1.00 0.00 C ATOM 935 CD ARG A 58 -5.607 6.240 -14.007 1.00 0.00 C ATOM 936 NE ARG A 58 -5.483 7.566 -14.606 1.00 0.00 N ATOM 937 CZ ARG A 58 -4.597 7.866 -15.548 1.00 0.00 C ATOM 938 NH1 ARG A 58 -3.761 6.939 -15.997 1.00 0.00 N ATOM 939 NH2 ARG A 58 -4.545 9.095 -16.045 1.00 0.00 N ATOM 0 H ARG A 58 -1.770 5.893 -10.862 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.259 6.269 -9.595 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.781 6.385 -11.400 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.597 7.634 -11.729 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.540 6.335 -13.436 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.353 4.866 -12.936 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.615 5.486 -14.794 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.561 6.166 -13.485 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.111 8.302 -14.283 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.798 5.993 -15.618 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.081 7.173 -16.721 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.186 9.811 -15.703 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.864 9.324 -16.769 1.00 0.00 H new ATOM 953 N ILE A 59 -4.946 3.836 -10.514 1.00 0.00 N ATOM 954 CA ILE A 59 -5.030 2.382 -10.585 1.00 0.00 C ATOM 955 C ILE A 59 -5.401 1.921 -11.990 1.00 0.00 C ATOM 956 O ILE A 59 -6.190 2.568 -12.679 1.00 0.00 O ATOM 957 CB ILE A 59 -6.064 1.830 -9.586 1.00 0.00 C ATOM 958 CG1 ILE A 59 -5.817 2.408 -8.191 1.00 0.00 C ATOM 959 CG2 ILE A 59 -6.008 0.310 -9.552 1.00 0.00 C ATOM 960 CD1 ILE A 59 -4.509 1.961 -7.574 1.00 0.00 C ATOM 0 H ILE A 59 -5.837 4.303 -10.347 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.044 1.995 -10.327 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.059 2.131 -9.913 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.828 3.496 -8.250 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.637 2.116 -7.535 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.744 -0.065 -8.841 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.227 -0.084 -10.544 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.012 -0.011 -9.246 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.401 2.409 -6.586 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.502 0.875 -7.482 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.681 2.277 -8.208 1.00 0.00 H new ATOM 972 N SER A 60 -4.828 0.797 -12.408 1.00 0.00 N ATOM 973 CA SER A 60 -5.097 0.249 -13.733 1.00 0.00 C ATOM 974 C SER A 60 -6.261 -0.736 -13.687 1.00 0.00 C ATOM 975 O SER A 60 -6.500 -1.384 -12.669 1.00 0.00 O ATOM 976 CB SER A 60 -3.849 -0.444 -14.284 1.00 0.00 C ATOM 977 OG SER A 60 -4.154 -1.194 -15.447 1.00 0.00 O ATOM 0 H SER A 60 -4.175 0.248 -11.849 1.00 0.00 H new ATOM 0 HA SER A 60 -5.367 1.074 -14.393 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.088 0.301 -14.517 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.428 -1.102 -13.523 1.00 0.00 H new ATOM 0 HG SER A 60 -3.340 -1.626 -15.781 1.00 0.00 H new ATOM 1185 N HIS A 75 -3.279 -10.685 -7.954 1.00 0.00 N ATOM 1186 CA HIS A 75 -3.240 -9.330 -7.415 1.00 0.00 C ATOM 1187 C HIS A 75 -4.617 -8.677 -7.486 1.00 0.00 C ATOM 1188 O HIS A 75 -5.408 -8.970 -8.384 1.00 0.00 O ATOM 1189 CB HIS A 75 -2.222 -8.483 -8.180 1.00 0.00 C ATOM 1190 CG HIS A 75 -2.629 -8.185 -9.590 1.00 0.00 C ATOM 1191 ND1 HIS A 75 -2.597 -9.126 -10.598 1.00 0.00 N ATOM 1192 CD2 HIS A 75 -3.083 -7.043 -10.159 1.00 0.00 C ATOM 1193 CE1 HIS A 75 -3.010 -8.575 -11.725 1.00 0.00 C ATOM 1194 NE2 HIS A 75 -3.312 -7.312 -11.486 1.00 0.00 N ATOM 0 HA HIS A 75 -2.939 -9.390 -6.369 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.071 -7.544 -7.648 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.264 -9.002 -8.189 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -3.236 -6.097 -9.662 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -3.088 -9.073 -12.680 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -3.659 -6.645 -12.175 1.00 0.00 H new ATOM 1203 N CYS A 76 -4.897 -7.793 -6.535 1.00 0.00 N ATOM 1204 CA CYS A 76 -6.180 -7.100 -6.488 1.00 0.00 C ATOM 1205 C CYS A 76 -6.148 -5.839 -7.345 1.00 0.00 C ATOM 1206 O CYS A 76 -7.038 -5.609 -8.164 1.00 0.00 O ATOM 1207 CB CYS A 76 -6.538 -6.743 -5.045 1.00 0.00 C ATOM 1208 SG CYS A 76 -8.249 -6.205 -4.821 1.00 0.00 S ATOM 0 H CYS A 76 -4.253 -7.539 -5.786 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.942 -7.769 -6.888 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.355 -7.611 -4.411 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -5.872 -5.952 -4.702 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.456 -5.927 -3.568 1.00 0.00 H new ATOM 1214 N PHE A 77 -5.117 -5.023 -7.149 1.00 0.00 N ATOM 1215 CA PHE A 77 -4.970 -3.783 -7.901 1.00 0.00 C ATOM 1216 C PHE A 77 -3.521 -3.577 -8.333 1.00 0.00 C ATOM 1217 O PHE A 77 -2.631 -4.327 -7.933 1.00 0.00 O ATOM 1218 CB PHE A 77 -5.437 -2.593 -7.060 1.00 0.00 C ATOM 1219 CG PHE A 77 -4.646 -2.404 -5.797 1.00 0.00 C ATOM 1220 CD1 PHE A 77 -4.978 -3.100 -4.646 1.00 0.00 C ATOM 1221 CD2 PHE A 77 -3.571 -1.530 -5.762 1.00 0.00 C ATOM 1222 CE1 PHE A 77 -4.252 -2.929 -3.482 1.00 0.00 C ATOM 1223 CE2 PHE A 77 -2.841 -1.355 -4.601 1.00 0.00 C ATOM 1224 CZ PHE A 77 -3.183 -2.055 -3.460 1.00 0.00 C ATOM 0 H PHE A 77 -4.371 -5.199 -6.476 1.00 0.00 H new ATOM 0 HA PHE A 77 -5.591 -3.854 -8.794 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.370 -1.686 -7.660 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.488 -2.729 -6.804 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.814 -3.784 -4.658 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.301 -0.980 -6.651 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.520 -3.478 -2.591 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.005 -0.672 -4.586 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.615 -1.919 -2.552 1.00 0.00 H new ATOM 1234 N GLU A 78 -3.293 -2.555 -9.153 1.00 0.00 N ATOM 1235 CA GLU A 78 -1.953 -2.252 -9.640 1.00 0.00 C ATOM 1236 C GLU A 78 -1.624 -0.775 -9.444 1.00 0.00 C ATOM 1237 O GLU A 78 -2.300 0.100 -9.986 1.00 0.00 O ATOM 1238 CB GLU A 78 -1.829 -2.621 -11.120 1.00 0.00 C ATOM 1239 CG GLU A 78 -2.233 -4.054 -11.426 1.00 0.00 C ATOM 1240 CD GLU A 78 -2.779 -4.218 -12.831 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -2.150 -3.697 -13.776 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -3.835 -4.867 -12.986 1.00 0.00 O ATOM 0 H GLU A 78 -4.019 -1.924 -9.493 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.242 -2.844 -9.064 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.449 -1.944 -11.708 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.798 -2.467 -11.439 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.369 -4.707 -11.297 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.986 -4.377 -10.707 1.00 0.00 H new ATOM 1249 N ILE A 79 -0.581 -0.506 -8.665 1.00 0.00 N ATOM 1250 CA ILE A 79 -0.162 0.864 -8.397 1.00 0.00 C ATOM 1251 C ILE A 79 0.749 1.386 -9.502 1.00 0.00 C ATOM 1252 O ILE A 79 1.929 1.037 -9.564 1.00 0.00 O ATOM 1253 CB ILE A 79 0.571 0.975 -7.047 1.00 0.00 C ATOM 1254 CG1 ILE A 79 -0.333 0.495 -5.910 1.00 0.00 C ATOM 1255 CG2 ILE A 79 1.021 2.408 -6.805 1.00 0.00 C ATOM 1256 CD1 ILE A 79 0.351 0.477 -4.561 1.00 0.00 C ATOM 0 H ILE A 79 -0.011 -1.219 -8.209 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.068 1.469 -8.360 1.00 0.00 H new ATOM 0 HB ILE A 79 1.455 0.338 -7.077 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.209 1.141 -5.856 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.691 -0.508 -6.140 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.537 2.470 -5.847 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.697 2.717 -7.602 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.151 3.065 -6.792 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.349 0.126 -3.803 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.211 -0.192 -4.598 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.685 1.484 -4.309 1.00 0.00 H new ATOM 1268 N ILE A 80 0.196 2.225 -10.371 1.00 0.00 N ATOM 1269 CA ILE A 80 0.960 2.798 -11.473 1.00 0.00 C ATOM 1270 C ILE A 80 1.661 4.083 -11.046 1.00 0.00 C ATOM 1271 O ILE A 80 1.043 5.146 -10.973 1.00 0.00 O ATOM 1272 CB ILE A 80 0.061 3.095 -12.687 1.00 0.00 C ATOM 1273 CG1 ILE A 80 -0.464 1.792 -13.292 1.00 0.00 C ATOM 1274 CG2 ILE A 80 0.826 3.899 -13.728 1.00 0.00 C ATOM 1275 CD1 ILE A 80 -1.757 1.314 -12.669 1.00 0.00 C ATOM 0 H ILE A 80 -0.779 2.523 -10.334 1.00 0.00 H new ATOM 0 HA ILE A 80 1.707 2.057 -11.758 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.791 3.687 -12.353 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.616 1.933 -14.362 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.293 1.017 -13.177 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.177 4.101 -14.580 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.155 4.842 -13.290 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.695 3.331 -14.060 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.070 0.386 -13.147 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.605 1.140 -11.604 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.529 2.071 -12.807 1.00 0.00 H new ATOM 1287 N THR A 81 2.956 3.979 -10.765 1.00 0.00 N ATOM 1288 CA THR A 81 3.742 5.133 -10.346 1.00 0.00 C ATOM 1289 C THR A 81 4.596 5.662 -11.493 1.00 0.00 C ATOM 1290 O THR A 81 5.187 4.890 -12.247 1.00 0.00 O ATOM 1291 CB THR A 81 4.658 4.787 -9.157 1.00 0.00 C ATOM 1292 OG1 THR A 81 5.567 3.744 -9.526 1.00 0.00 O ATOM 1293 CG2 THR A 81 3.838 4.350 -7.952 1.00 0.00 C ATOM 0 H THR A 81 3.483 3.107 -10.820 1.00 0.00 H new ATOM 0 HA THR A 81 3.034 5.903 -10.038 1.00 0.00 H new ATOM 0 HB THR A 81 5.221 5.681 -8.888 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.358 2.933 -9.017 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.506 4.111 -7.125 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.168 5.157 -7.656 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.252 3.469 -8.211 1.00 0.00 H new ATOM 1301 N ASP A 82 4.657 6.983 -11.618 1.00 0.00 N ATOM 1302 CA ASP A 82 5.440 7.616 -12.672 1.00 0.00 C ATOM 1303 C ASP A 82 6.704 6.814 -12.967 1.00 0.00 C ATOM 1304 O ASP A 82 7.112 6.677 -14.120 1.00 0.00 O ATOM 1305 CB ASP A 82 5.810 9.046 -12.274 1.00 0.00 C ATOM 1306 CG ASP A 82 6.076 9.932 -13.475 1.00 0.00 C ATOM 1307 OD1 ASP A 82 5.482 9.676 -14.543 1.00 0.00 O ATOM 1308 OD2 ASP A 82 6.879 10.880 -13.348 1.00 0.00 O ATOM 0 H ASP A 82 4.173 7.636 -11.002 1.00 0.00 H new ATOM 0 HA ASP A 82 4.830 7.645 -13.575 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.002 9.475 -11.681 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.695 9.025 -11.638 1.00 0.00 H new ATOM 1313 N THR A 83 7.321 6.285 -11.915 1.00 0.00 N ATOM 1314 CA THR A 83 8.539 5.498 -12.059 1.00 0.00 C ATOM 1315 C THR A 83 8.267 4.195 -12.802 1.00 0.00 C ATOM 1316 O THR A 83 8.685 4.023 -13.946 1.00 0.00 O ATOM 1317 CB THR A 83 9.165 5.174 -10.690 1.00 0.00 C ATOM 1318 OG1 THR A 83 8.184 4.585 -9.830 1.00 0.00 O ATOM 1319 CG2 THR A 83 9.727 6.430 -10.041 1.00 0.00 C ATOM 0 H THR A 83 6.997 6.388 -10.953 1.00 0.00 H new ATOM 0 HA THR A 83 9.239 6.103 -12.635 1.00 0.00 H new ATOM 0 HB THR A 83 9.981 4.469 -10.846 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.389 4.809 -8.898 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.164 6.176 -9.075 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.494 6.860 -10.685 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.926 7.155 -9.898 1.00 0.00 H new ATOM 1327 N MET A 84 7.564 3.280 -12.143 1.00 0.00 N ATOM 1328 CA MET A 84 7.235 1.992 -12.742 1.00 0.00 C ATOM 1329 C MET A 84 5.896 1.477 -12.223 1.00 0.00 C ATOM 1330 O MET A 84 5.333 2.026 -11.276 1.00 0.00 O ATOM 1331 CB MET A 84 8.336 0.971 -12.448 1.00 0.00 C ATOM 1332 CG MET A 84 9.452 0.966 -13.480 1.00 0.00 C ATOM 1333 SD MET A 84 10.780 -0.178 -13.061 1.00 0.00 S ATOM 1334 CE MET A 84 9.960 -1.752 -13.302 1.00 0.00 C ATOM 0 H MET A 84 7.211 3.407 -11.194 1.00 0.00 H new ATOM 0 HA MET A 84 7.158 2.131 -13.820 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.761 1.180 -11.466 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.894 -0.024 -12.399 1.00 0.00 H new ATOM 0 HG2 MET A 84 9.040 0.698 -14.453 1.00 0.00 H new ATOM 0 HG3 MET A 84 9.860 1.972 -13.573 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.670 -2.562 -13.133 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.132 -1.842 -12.599 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.578 -1.811 -14.321 1.00 0.00 H new ATOM 1344 N VAL A 85 5.391 0.419 -12.849 1.00 0.00 N ATOM 1345 CA VAL A 85 4.118 -0.171 -12.450 1.00 0.00 C ATOM 1346 C VAL A 85 4.321 -1.253 -11.395 1.00 0.00 C ATOM 1347 O VAL A 85 5.102 -2.185 -11.589 1.00 0.00 O ATOM 1348 CB VAL A 85 3.377 -0.777 -13.656 1.00 0.00 C ATOM 1349 CG1 VAL A 85 2.078 -1.431 -13.211 1.00 0.00 C ATOM 1350 CG2 VAL A 85 3.114 0.288 -14.710 1.00 0.00 C ATOM 0 H VAL A 85 5.844 -0.048 -13.635 1.00 0.00 H new ATOM 0 HA VAL A 85 3.514 0.633 -12.030 1.00 0.00 H new ATOM 0 HB VAL A 85 4.009 -1.546 -14.100 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.568 -1.854 -14.077 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.296 -2.224 -12.496 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.437 -0.685 -12.741 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.590 -0.158 -15.555 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.502 1.081 -14.281 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.062 0.705 -15.050 1.00 0.00 H new ATOM 1360 N TYR A 86 3.613 -1.124 -10.279 1.00 0.00 N ATOM 1361 CA TYR A 86 3.716 -2.090 -9.192 1.00 0.00 C ATOM 1362 C TYR A 86 2.424 -2.888 -9.048 1.00 0.00 C ATOM 1363 O TYR A 86 1.340 -2.402 -9.373 1.00 0.00 O ATOM 1364 CB TYR A 86 4.037 -1.377 -7.877 1.00 0.00 C ATOM 1365 CG TYR A 86 5.229 -0.451 -7.966 1.00 0.00 C ATOM 1366 CD1 TYR A 86 6.469 -0.922 -8.382 1.00 0.00 C ATOM 1367 CD2 TYR A 86 5.117 0.893 -7.634 1.00 0.00 C ATOM 1368 CE1 TYR A 86 7.562 -0.080 -8.463 1.00 0.00 C ATOM 1369 CE2 TYR A 86 6.203 1.742 -7.714 1.00 0.00 C ATOM 1370 CZ TYR A 86 7.423 1.251 -8.129 1.00 0.00 C ATOM 1371 OH TYR A 86 8.508 2.094 -8.209 1.00 0.00 O ATOM 0 H TYR A 86 2.961 -0.359 -10.103 1.00 0.00 H new ATOM 0 HA TYR A 86 4.524 -2.781 -9.430 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.165 -0.804 -7.562 1.00 0.00 H new ATOM 0 HB3 TYR A 86 4.224 -2.123 -7.105 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.580 -1.963 -8.646 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.163 1.281 -7.307 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.519 -0.462 -8.786 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.098 2.785 -7.453 1.00 0.00 H new ATOM 0 HH TYR A 86 8.280 2.869 -8.764 1.00 0.00 H new ATOM 1381 N PHE A 87 2.547 -4.117 -8.559 1.00 0.00 N ATOM 1382 CA PHE A 87 1.390 -4.985 -8.371 1.00 0.00 C ATOM 1383 C PHE A 87 1.298 -5.463 -6.925 1.00 0.00 C ATOM 1384 O PHE A 87 2.152 -6.212 -6.451 1.00 0.00 O ATOM 1385 CB PHE A 87 1.470 -6.188 -9.314 1.00 0.00 C ATOM 1386 CG PHE A 87 1.519 -5.808 -10.767 1.00 0.00 C ATOM 1387 CD1 PHE A 87 2.598 -5.103 -11.276 1.00 0.00 C ATOM 1388 CD2 PHE A 87 0.487 -6.157 -11.623 1.00 0.00 C ATOM 1389 CE1 PHE A 87 2.645 -4.752 -12.612 1.00 0.00 C ATOM 1390 CE2 PHE A 87 0.530 -5.810 -12.960 1.00 0.00 C ATOM 1391 CZ PHE A 87 1.611 -5.107 -13.455 1.00 0.00 C ATOM 0 H PHE A 87 3.436 -4.535 -8.286 1.00 0.00 H new ATOM 0 HA PHE A 87 0.494 -4.410 -8.602 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.357 -6.773 -9.069 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.607 -6.831 -9.144 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.411 -4.825 -10.622 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.361 -6.706 -11.241 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.490 -4.200 -12.996 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.281 -6.088 -13.617 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.647 -4.836 -14.500 1.00 0.00 H new ATOM 1401 N VAL A 88 0.254 -5.025 -6.229 1.00 0.00 N ATOM 1402 CA VAL A 88 0.048 -5.407 -4.837 1.00 0.00 C ATOM 1403 C VAL A 88 -1.242 -6.202 -4.670 1.00 0.00 C ATOM 1404 O VAL A 88 -2.230 -5.952 -5.359 1.00 0.00 O ATOM 1405 CB VAL A 88 0.001 -4.173 -3.916 1.00 0.00 C ATOM 1406 CG1 VAL A 88 0.142 -4.588 -2.460 1.00 0.00 C ATOM 1407 CG2 VAL A 88 1.085 -3.179 -4.303 1.00 0.00 C ATOM 0 H VAL A 88 -0.463 -4.405 -6.606 1.00 0.00 H new ATOM 0 HA VAL A 88 0.895 -6.031 -4.552 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.967 -3.686 -4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.107 -3.703 -1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.674 -5.260 -2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.094 -5.099 -2.318 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.038 -2.313 -3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.062 -3.652 -4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.933 -2.858 -5.333 1.00 0.00 H new ATOM 1417 N GLY A 89 -1.226 -7.161 -3.749 1.00 0.00 N ATOM 1418 CA GLY A 89 -2.401 -7.977 -3.508 1.00 0.00 C ATOM 1419 C GLY A 89 -2.126 -9.457 -3.689 1.00 0.00 C ATOM 1420 O GLY A 89 -1.457 -9.858 -4.641 1.00 0.00 O ATOM 0 H GLY A 89 -0.420 -7.387 -3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.762 -7.799 -2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.197 -7.673 -4.188 1.00 0.00 H new ATOM 1424 N GLU A 90 -2.642 -10.270 -2.772 1.00 0.00 N ATOM 1425 CA GLU A 90 -2.445 -11.713 -2.835 1.00 0.00 C ATOM 1426 C GLU A 90 -3.653 -12.452 -2.267 1.00 0.00 C ATOM 1427 O GLU A 90 -4.127 -12.141 -1.175 1.00 0.00 O ATOM 1428 CB GLU A 90 -1.182 -12.112 -2.068 1.00 0.00 C ATOM 1429 CG GLU A 90 -1.308 -11.952 -0.563 1.00 0.00 C ATOM 1430 CD GLU A 90 -0.079 -12.437 0.181 1.00 0.00 C ATOM 1431 OE1 GLU A 90 0.871 -11.642 0.337 1.00 0.00 O ATOM 1432 OE2 GLU A 90 -0.066 -13.612 0.605 1.00 0.00 O ATOM 0 H GLU A 90 -3.199 -9.954 -1.978 1.00 0.00 H new ATOM 0 HA GLU A 90 -2.329 -11.993 -3.882 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.942 -13.151 -2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.347 -11.507 -2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.480 -10.902 -0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.180 -12.505 -0.215 1.00 0.00 H new ATOM 1439 N ASN A 91 -4.147 -13.432 -3.017 1.00 0.00 N ATOM 1440 CA ASN A 91 -5.300 -14.215 -2.589 1.00 0.00 C ATOM 1441 C ASN A 91 -4.999 -15.710 -2.656 1.00 0.00 C ATOM 1442 O ASN A 91 -4.691 -16.243 -3.721 1.00 0.00 O ATOM 1443 CB ASN A 91 -6.516 -13.889 -3.459 1.00 0.00 C ATOM 1444 CG ASN A 91 -7.763 -14.626 -3.010 1.00 0.00 C ATOM 1445 OD1 ASN A 91 -7.696 -15.533 -2.180 1.00 0.00 O ATOM 1446 ND2 ASN A 91 -8.908 -14.239 -3.559 1.00 0.00 N ATOM 0 H ASN A 91 -3.767 -13.703 -3.924 1.00 0.00 H new ATOM 0 HA ASN A 91 -5.521 -13.953 -1.554 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.702 -12.815 -3.431 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.298 -14.148 -4.495 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.780 -14.698 -3.297 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.916 -13.482 -4.243 1.00 0.00 H new ATOM 1646 N GLY A 107 -4.637 -12.389 1.874 1.00 0.00 N ATOM 1647 CA GLY A 107 -5.937 -12.706 1.312 1.00 0.00 C ATOM 1648 C GLY A 107 -6.440 -11.631 0.370 1.00 0.00 C ATOM 1649 O GLY A 107 -5.767 -10.623 0.150 1.00 0.00 O ATOM 0 HA2 GLY A 107 -5.877 -13.654 0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -6.655 -12.841 2.120 1.00 0.00 H new ATOM 1653 N LEU A 108 -7.626 -11.844 -0.190 1.00 0.00 N ATOM 1654 CA LEU A 108 -8.218 -10.885 -1.116 1.00 0.00 C ATOM 1655 C LEU A 108 -8.960 -9.786 -0.362 1.00 0.00 C ATOM 1656 O LEU A 108 -8.774 -8.600 -0.631 1.00 0.00 O ATOM 1657 CB LEU A 108 -9.175 -11.596 -2.075 1.00 0.00 C ATOM 1658 CG LEU A 108 -10.141 -10.698 -2.848 1.00 0.00 C ATOM 1659 CD1 LEU A 108 -9.469 -10.139 -4.093 1.00 0.00 C ATOM 1660 CD2 LEU A 108 -11.401 -11.466 -3.220 1.00 0.00 C ATOM 0 H LEU A 108 -8.196 -12.672 -0.019 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.412 -10.427 -1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.583 -12.162 -2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.759 -12.318 -1.504 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.424 -9.864 -2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.171 -9.502 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.596 -9.553 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.157 -10.960 -4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.077 -10.811 -3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.136 -12.320 -3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.894 -11.818 -2.314 1.00 0.00 H new ATOM 1672 N ASP A 109 -9.800 -10.190 0.585 1.00 0.00 N ATOM 1673 CA ASP A 109 -10.568 -9.240 1.382 1.00 0.00 C ATOM 1674 C ASP A 109 -9.660 -8.165 1.971 1.00 0.00 C ATOM 1675 O ASP A 109 -9.895 -6.970 1.790 1.00 0.00 O ATOM 1676 CB ASP A 109 -11.313 -9.966 2.503 1.00 0.00 C ATOM 1677 CG ASP A 109 -11.794 -11.341 2.082 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -12.925 -11.441 1.561 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -11.039 -12.317 2.273 1.00 0.00 O ATOM 0 H ASP A 109 -9.966 -11.169 0.819 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.294 -8.758 0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -10.657 -10.063 3.368 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.167 -9.366 2.816 1.00 0.00 H new ATOM 1684 N VAL A 110 -8.621 -8.598 2.678 1.00 0.00 N ATOM 1685 CA VAL A 110 -7.676 -7.674 3.294 1.00 0.00 C ATOM 1686 C VAL A 110 -7.194 -6.631 2.292 1.00 0.00 C ATOM 1687 O VAL A 110 -6.966 -5.475 2.645 1.00 0.00 O ATOM 1688 CB VAL A 110 -6.457 -8.418 3.870 1.00 0.00 C ATOM 1689 CG1 VAL A 110 -5.805 -9.283 2.802 1.00 0.00 C ATOM 1690 CG2 VAL A 110 -5.457 -7.431 4.452 1.00 0.00 C ATOM 0 H VAL A 110 -8.412 -9.583 2.838 1.00 0.00 H new ATOM 0 HA VAL A 110 -8.205 -7.176 4.106 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.798 -9.071 4.673 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.946 -9.801 3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.525 -10.015 2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.476 -8.654 1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.602 -7.974 4.855 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.119 -6.751 3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.932 -6.859 5.249 1.00 0.00 H new ATOM 1700 N ALA A 111 -7.042 -7.049 1.039 1.00 0.00 N ATOM 1701 CA ALA A 111 -6.590 -6.150 -0.016 1.00 0.00 C ATOM 1702 C ALA A 111 -7.652 -5.105 -0.340 1.00 0.00 C ATOM 1703 O ALA A 111 -7.358 -3.913 -0.417 1.00 0.00 O ATOM 1704 CB ALA A 111 -6.227 -6.942 -1.264 1.00 0.00 C ATOM 0 H ALA A 111 -7.225 -8.004 0.730 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.702 -5.628 0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.891 -6.258 -2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.428 -7.645 -1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.102 -7.490 -1.614 1.00 0.00 H new ATOM 1710 N GLN A 112 -8.886 -5.561 -0.529 1.00 0.00 N ATOM 1711 CA GLN A 112 -9.991 -4.665 -0.847 1.00 0.00 C ATOM 1712 C GLN A 112 -9.934 -3.405 0.012 1.00 0.00 C ATOM 1713 O GLN A 112 -10.126 -2.295 -0.484 1.00 0.00 O ATOM 1714 CB GLN A 112 -11.329 -5.377 -0.640 1.00 0.00 C ATOM 1715 CG GLN A 112 -11.485 -6.633 -1.481 1.00 0.00 C ATOM 1716 CD GLN A 112 -12.921 -7.116 -1.548 1.00 0.00 C ATOM 1717 OE1 GLN A 112 -13.738 -6.790 -0.687 1.00 0.00 O ATOM 1718 NE2 GLN A 112 -13.236 -7.896 -2.575 1.00 0.00 N ATOM 0 H GLN A 112 -9.145 -6.546 -0.467 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.900 -4.374 -1.894 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.433 -5.639 0.413 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -12.139 -4.687 -0.878 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.124 -6.437 -2.491 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.859 -7.423 -1.067 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.527 -8.141 -3.266 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.187 -8.250 -2.673 1.00 0.00 H new ATOM 1727 N SER A 113 -9.669 -3.586 1.302 1.00 0.00 N ATOM 1728 CA SER A 113 -9.590 -2.464 2.230 1.00 0.00 C ATOM 1729 C SER A 113 -8.498 -1.486 1.810 1.00 0.00 C ATOM 1730 O SER A 113 -8.756 -0.299 1.609 1.00 0.00 O ATOM 1731 CB SER A 113 -9.321 -2.968 3.650 1.00 0.00 C ATOM 1732 OG SER A 113 -10.427 -3.701 4.149 1.00 0.00 O ATOM 0 H SER A 113 -9.506 -4.498 1.728 1.00 0.00 H new ATOM 0 HA SER A 113 -10.547 -1.942 2.212 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.432 -3.598 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.115 -2.123 4.306 1.00 0.00 H new ATOM 0 HG SER A 113 -10.230 -4.013 5.057 1.00 0.00 H new ATOM 1738 N TRP A 114 -7.277 -1.993 1.679 1.00 0.00 N ATOM 1739 CA TRP A 114 -6.144 -1.165 1.282 1.00 0.00 C ATOM 1740 C TRP A 114 -6.470 -0.362 0.028 1.00 0.00 C ATOM 1741 O TRP A 114 -6.380 0.866 0.027 1.00 0.00 O ATOM 1742 CB TRP A 114 -4.910 -2.035 1.040 1.00 0.00 C ATOM 1743 CG TRP A 114 -4.158 -2.362 2.294 1.00 0.00 C ATOM 1744 CD1 TRP A 114 -4.344 -3.447 3.103 1.00 0.00 C ATOM 1745 CD2 TRP A 114 -3.101 -1.597 2.883 1.00 0.00 C ATOM 1746 NE1 TRP A 114 -3.467 -3.402 4.159 1.00 0.00 N ATOM 1747 CE2 TRP A 114 -2.693 -2.278 4.047 1.00 0.00 C ATOM 1748 CE3 TRP A 114 -2.458 -0.405 2.540 1.00 0.00 C ATOM 1749 CZ2 TRP A 114 -1.673 -1.803 4.868 1.00 0.00 C ATOM 1750 CZ3 TRP A 114 -1.446 0.065 3.356 1.00 0.00 C ATOM 1751 CH2 TRP A 114 -1.061 -0.634 4.508 1.00 0.00 C ATOM 0 H TRP A 114 -7.046 -2.973 1.842 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.934 -0.467 2.093 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.217 -2.963 0.557 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -4.242 -1.521 0.348 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -5.074 -4.226 2.937 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.403 -4.094 4.906 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -2.746 0.140 1.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -1.376 -2.339 5.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -0.944 0.986 3.101 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -0.265 -0.242 5.124 1.00 0.00 H new ATOM 1762 N GLU A 115 -6.848 -1.062 -1.037 1.00 0.00 N ATOM 1763 CA GLU A 115 -7.186 -0.411 -2.297 1.00 0.00 C ATOM 1764 C GLU A 115 -8.067 0.811 -2.059 1.00 0.00 C ATOM 1765 O GLU A 115 -7.829 1.882 -2.619 1.00 0.00 O ATOM 1766 CB GLU A 115 -7.899 -1.394 -3.229 1.00 0.00 C ATOM 1767 CG GLU A 115 -7.811 -1.014 -4.697 1.00 0.00 C ATOM 1768 CD GLU A 115 -8.349 0.377 -4.973 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -9.569 0.584 -4.805 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -7.551 1.257 -5.356 1.00 0.00 O ATOM 0 H GLU A 115 -6.928 -2.079 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 115 -6.259 -0.083 -2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -7.470 -2.387 -3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.948 -1.458 -2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -6.772 -1.068 -5.021 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -8.368 -1.739 -5.290 1.00 0.00 H new ATOM 1777 N LYS A 116 -9.088 0.644 -1.225 1.00 0.00 N ATOM 1778 CA LYS A 116 -10.006 1.733 -0.911 1.00 0.00 C ATOM 1779 C LYS A 116 -9.281 2.865 -0.190 1.00 0.00 C ATOM 1780 O LYS A 116 -9.465 4.038 -0.514 1.00 0.00 O ATOM 1781 CB LYS A 116 -11.160 1.220 -0.047 1.00 0.00 C ATOM 1782 CG LYS A 116 -12.307 0.631 -0.850 1.00 0.00 C ATOM 1783 CD LYS A 116 -13.520 0.360 0.024 1.00 0.00 C ATOM 1784 CE LYS A 116 -14.812 0.440 -0.775 1.00 0.00 C ATOM 1785 NZ LYS A 116 -15.917 -0.312 -0.118 1.00 0.00 N ATOM 0 H LYS A 116 -9.301 -0.235 -0.754 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.406 2.120 -1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.780 0.462 0.638 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.538 2.040 0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -12.581 1.317 -1.651 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -11.983 -0.297 -1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -13.431 -0.628 0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -13.550 1.082 0.840 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -15.103 1.484 -0.892 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -14.646 0.041 -1.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -16.780 -0.233 -0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -15.650 -1.313 -0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -16.093 0.085 0.827 1.00 0.00 H new ATOM 1799 N ALA A 117 -8.457 2.505 0.788 1.00 0.00 N ATOM 1800 CA ALA A 117 -7.702 3.491 1.552 1.00 0.00 C ATOM 1801 C ALA A 117 -6.691 4.214 0.668 1.00 0.00 C ATOM 1802 O ALA A 117 -6.796 5.421 0.449 1.00 0.00 O ATOM 1803 CB ALA A 117 -6.998 2.824 2.725 1.00 0.00 C ATOM 0 H ALA A 117 -8.295 1.538 1.070 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.404 4.231 1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.438 3.572 3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -7.738 2.359 3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.313 2.062 2.353 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.714 3.469 0.164 1.00 0.00 N ATOM 1810 CA ILE A 118 -4.685 4.040 -0.696 1.00 0.00 C ATOM 1811 C ILE A 118 -5.294 4.976 -1.734 1.00 0.00 C ATOM 1812 O ILE A 118 -4.796 6.080 -1.957 1.00 0.00 O ATOM 1813 CB ILE A 118 -3.882 2.942 -1.419 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -3.135 2.074 -0.404 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -2.910 3.563 -2.411 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -2.528 0.827 -1.007 1.00 0.00 C ATOM 0 H ILE A 118 -5.613 2.469 0.336 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.012 4.605 -0.051 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.576 2.307 -1.970 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.345 2.667 0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.822 1.786 0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.350 2.775 -2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.464 4.142 -3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -2.218 4.218 -1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.014 0.260 -0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.316 0.213 -1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.815 1.108 -1.783 1.00 0.00 H new ATOM 1828 N ARG A 119 -6.374 4.528 -2.365 1.00 0.00 N ATOM 1829 CA ARG A 119 -7.052 5.326 -3.380 1.00 0.00 C ATOM 1830 C ARG A 119 -7.692 6.565 -2.760 1.00 0.00 C ATOM 1831 O ARG A 119 -7.406 7.691 -3.164 1.00 0.00 O ATOM 1832 CB ARG A 119 -8.118 4.489 -4.089 1.00 0.00 C ATOM 1833 CG ARG A 119 -8.786 5.210 -5.249 1.00 0.00 C ATOM 1834 CD ARG A 119 -9.759 4.301 -5.983 1.00 0.00 C ATOM 1835 NE ARG A 119 -9.956 4.715 -7.370 1.00 0.00 N ATOM 1836 CZ ARG A 119 -10.437 3.916 -8.315 1.00 0.00 C ATOM 1837 NH1 ARG A 119 -10.768 2.665 -8.024 1.00 0.00 N ATOM 1838 NH2 ARG A 119 -10.587 4.366 -9.554 1.00 0.00 N ATOM 0 H ARG A 119 -6.799 3.617 -2.192 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.309 5.648 -4.109 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.661 3.571 -4.458 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -8.880 4.198 -3.366 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -9.316 6.087 -4.877 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -8.026 5.567 -5.943 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -9.386 3.277 -5.960 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -10.718 4.303 -5.465 1.00 0.00 H new ATOM 0 HE ARG A 119 -9.710 5.671 -7.627 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -10.653 2.315 -7.073 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -11.137 2.053 -8.751 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -10.333 5.327 -9.782 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -10.957 3.751 -10.279 1.00 0.00 H new ATOM 1852 N GLN A 120 -8.560 6.346 -1.777 1.00 0.00 N ATOM 1853 CA GLN A 120 -9.241 7.445 -1.102 1.00 0.00 C ATOM 1854 C GLN A 120 -8.248 8.522 -0.677 1.00 0.00 C ATOM 1855 O GLN A 120 -8.598 9.697 -0.574 1.00 0.00 O ATOM 1856 CB GLN A 120 -10.004 6.927 0.119 1.00 0.00 C ATOM 1857 CG GLN A 120 -10.716 8.020 0.900 1.00 0.00 C ATOM 1858 CD GLN A 120 -10.885 7.674 2.366 1.00 0.00 C ATOM 1859 OE1 GLN A 120 -9.906 7.469 3.084 1.00 0.00 O ATOM 1860 NE2 GLN A 120 -12.131 7.607 2.819 1.00 0.00 N ATOM 0 H GLN A 120 -8.808 5.419 -1.431 1.00 0.00 H new ATOM 0 HA GLN A 120 -9.949 7.886 -1.804 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -10.737 6.189 -0.207 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -9.307 6.413 0.782 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -10.153 8.949 0.813 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -11.696 8.198 0.457 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -12.913 7.784 2.189 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -12.306 7.378 3.797 1.00 0.00 H new ATOM 1869 N ALA A 121 -7.008 8.112 -0.430 1.00 0.00 N ATOM 1870 CA ALA A 121 -5.964 9.042 -0.017 1.00 0.00 C ATOM 1871 C ALA A 121 -5.687 10.074 -1.105 1.00 0.00 C ATOM 1872 O ALA A 121 -5.466 11.251 -0.817 1.00 0.00 O ATOM 1873 CB ALA A 121 -4.691 8.286 0.332 1.00 0.00 C ATOM 0 H ALA A 121 -6.702 7.142 -0.509 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.313 9.571 0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.920 8.993 0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.892 7.592 1.148 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.347 7.730 -0.540 1.00 0.00 H new ATOM 1879 N LEU A 122 -5.698 9.626 -2.355 1.00 0.00 N ATOM 1880 CA LEU A 122 -5.447 10.511 -3.487 1.00 0.00 C ATOM 1881 C LEU A 122 -6.274 11.788 -3.375 1.00 0.00 C ATOM 1882 O LEU A 122 -5.736 12.894 -3.420 1.00 0.00 O ATOM 1883 CB LEU A 122 -5.769 9.796 -4.801 1.00 0.00 C ATOM 1884 CG LEU A 122 -4.761 8.739 -5.254 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -3.532 9.398 -5.859 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -4.369 7.842 -4.088 1.00 0.00 C ATOM 0 H LEU A 122 -5.878 8.655 -2.611 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.391 10.782 -3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.745 9.320 -4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.857 10.546 -5.587 1.00 0.00 H new ATOM 0 HG LEU A 122 -5.230 8.121 -6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.826 8.630 -6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -3.827 9.997 -6.721 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -3.060 10.040 -5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.651 7.096 -4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.919 8.446 -3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.256 7.342 -3.700 1.00 0.00 H new