USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 714 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 204 HIS : no HD1:sc= -2.18 K(o=-3.3,f=-6.1!) USER MOD Set 1.2: A 208 THR OG1 : rot 163:sc= -1.15 USER MOD Set 2.1: A 185 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 189 HIS : no HD1:sc= -1.05 X(o=-1.1,f=-0.74) USER MOD Set 3.1: A 184 HIS : no HD1:sc= -0.0637 X(o=-0.87,f=-1.2) USER MOD Set 3.2: A 187 LYS NZ :NH3+ 153:sc= -0.809 (180deg=-2.7!) USER MOD Single : A 159 GLN : amide:sc=-0.000278 X(o=-0.00028,f=-0.31) USER MOD Single : A 162 ASN : amide:sc= -1.28 K(o=-1.3,f=-3.2!) USER MOD Single : A 163 CYS SG : rot -71:sc= 0.209 USER MOD Single : A 165 GLN : amide:sc= -1.4 K(o=-1.4,f=-3.5!) USER MOD Single : A 167 MET CE :methyl 145:sc= -2.64 (180deg=-6.12!) USER MOD Single : A 173 HIS : no HD1:sc= -3.26! K(o=-3.3!,f=-1.5) USER MOD Single : A 174 SER OG : rot -55:sc= 0.122 USER MOD Single : A 179 TYR OH : rot 165:sc= 0 USER MOD Single : A 180 THR OG1 : rot 70:sc= 1.07 USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.61) USER MOD Single : A 194 GLN : amide:sc= -0.836 K(o=-0.84,f=-0.016) USER MOD Single : A 195 ASN : amide:sc= -0.718 K(o=-0.72,f=-2.8) USER MOD Single : A 196 THR OG1 : rot -30:sc= 1.25 USER MOD Single : A 201 HIS : no HD1:sc= -0.492 X(o=-0.49,f=0) USER MOD Single : A 212 SER OG : rot 180:sc= 0 USER MOD Single : A 217 CYS SG : rot 180:sc= 0 USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD Single : A 219 GLN : amide:sc= -1.63 K(o=-1.6,f=-0.47) USER MOD Single : A 220 ASN : amide:sc= -0.0939 X(o=-0.094,f=-0.037) USER MOD Single : A 222 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 230 ASN : amide:sc= -1.59 K(o=-1.6,f=-2.4!) USER MOD Single : A 232 ASN : amide:sc= -5.87! C(o=-5.9!,f=-7.4!) USER MOD Single : A 233 LYS NZ :NH3+ 163:sc= -0.688 (180deg=-0.931) USER MOD Single : A 242 SER OG : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 180:sc= 0 USER MOD Single : A 246 SER OG : rot 89:sc= 1.26 USER MOD Single : A 248 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 82 N GLN A 159 -8.850 -10.644 2.657 1.00 0.00 N ATOM 83 CA GLN A 159 -7.922 -11.377 1.803 1.00 0.00 C ATOM 84 C GLN A 159 -7.055 -10.419 0.993 1.00 0.00 C ATOM 85 O GLN A 159 -7.550 -9.441 0.432 1.00 0.00 O ATOM 86 CB GLN A 159 -8.689 -12.308 0.863 1.00 0.00 C ATOM 87 CG GLN A 159 -9.087 -13.628 1.504 1.00 0.00 C ATOM 88 CD GLN A 159 -9.179 -14.760 0.500 1.00 0.00 C ATOM 89 OE1 GLN A 159 -9.445 -14.538 -0.681 1.00 0.00 O ATOM 90 NE2 GLN A 159 -8.960 -15.984 0.966 1.00 0.00 N ATOM 0 HA GLN A 159 -7.272 -11.973 2.443 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -9.587 -11.798 0.513 1.00 0.00 H new ATOM 0 HB3 GLN A 159 -8.075 -12.510 -0.015 1.00 0.00 H new ATOM 0 HG2 GLN A 159 -8.360 -13.888 2.273 1.00 0.00 H new ATOM 0 HG3 GLN A 159 -10.049 -13.510 2.002 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -8.742 -16.123 1.953 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -9.009 -16.786 0.337 1.00 0.00 H new ATOM 99 N VAL A 160 -5.759 -10.706 0.936 1.00 0.00 N ATOM 100 CA VAL A 160 -4.822 -9.870 0.194 1.00 0.00 C ATOM 101 C VAL A 160 -5.434 -9.391 -1.117 1.00 0.00 C ATOM 102 O VAL A 160 -5.114 -8.307 -1.604 1.00 0.00 O ATOM 103 CB VAL A 160 -3.514 -10.625 -0.107 1.00 0.00 C ATOM 104 CG1 VAL A 160 -3.803 -11.916 -0.858 1.00 0.00 C ATOM 105 CG2 VAL A 160 -2.560 -9.741 -0.897 1.00 0.00 C ATOM 0 H VAL A 160 -5.333 -11.511 1.395 1.00 0.00 H new ATOM 0 HA VAL A 160 -4.598 -9.008 0.823 1.00 0.00 H new ATOM 0 HB VAL A 160 -3.037 -10.882 0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -2.867 -12.436 -1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -4.447 -12.553 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -4.302 -11.686 -1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -1.641 -10.290 -1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -3.027 -9.452 -1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -2.328 -8.847 -0.318 1.00 0.00 H new ATOM 115 N GLY A 161 -6.317 -10.207 -1.685 1.00 0.00 N ATOM 116 CA GLY A 161 -6.960 -9.849 -2.936 1.00 0.00 C ATOM 117 C GLY A 161 -7.975 -8.736 -2.768 1.00 0.00 C ATOM 118 O GLY A 161 -8.015 -7.798 -3.563 1.00 0.00 O ATOM 0 H GLY A 161 -6.598 -11.109 -1.301 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -6.202 -9.540 -3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -7.454 -10.727 -3.352 1.00 0.00 H new ATOM 122 N ASN A 162 -8.800 -8.842 -1.731 1.00 0.00 N ATOM 123 CA ASN A 162 -9.823 -7.837 -1.463 1.00 0.00 C ATOM 124 C ASN A 162 -9.467 -7.014 -0.228 1.00 0.00 C ATOM 125 O ASN A 162 -10.338 -6.420 0.407 1.00 0.00 O ATOM 126 CB ASN A 162 -11.185 -8.506 -1.268 1.00 0.00 C ATOM 127 CG ASN A 162 -11.087 -9.799 -0.482 1.00 0.00 C ATOM 128 OD1 ASN A 162 -10.886 -10.871 -1.053 1.00 0.00 O ATOM 129 ND2 ASN A 162 -11.231 -9.704 0.835 1.00 0.00 N ATOM 0 H ASN A 162 -8.780 -9.613 -1.063 1.00 0.00 H new ATOM 0 HA ASN A 162 -9.873 -7.168 -2.322 1.00 0.00 H new ATOM 0 HB2 ASN A 162 -11.853 -7.819 -0.749 1.00 0.00 H new ATOM 0 HB3 ASN A 162 -11.630 -8.709 -2.242 1.00 0.00 H new ATOM 0 HD21 ASN A 162 -11.176 -10.541 1.416 1.00 0.00 H new ATOM 0 HD22 ASN A 162 -11.396 -8.794 1.266 1.00 0.00 H new ATOM 136 N CYS A 163 -8.181 -6.984 0.104 1.00 0.00 N ATOM 137 CA CYS A 163 -7.709 -6.234 1.263 1.00 0.00 C ATOM 138 C CYS A 163 -7.767 -4.733 1.000 1.00 0.00 C ATOM 139 O CYS A 163 -8.203 -3.958 1.852 1.00 0.00 O ATOM 140 CB CYS A 163 -6.279 -6.647 1.616 1.00 0.00 C ATOM 141 SG CYS A 163 -5.040 -6.122 0.408 1.00 0.00 S ATOM 0 H CYS A 163 -7.447 -7.470 -0.412 1.00 0.00 H new ATOM 0 HA CYS A 163 -8.364 -6.463 2.104 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -6.021 -6.230 2.589 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -6.239 -7.732 1.714 1.00 0.00 H new ATOM 0 HG CYS A 163 -5.166 -6.826 -0.677 1.00 0.00 H new ATOM 147 N LEU A 164 -7.323 -4.328 -0.185 1.00 0.00 N ATOM 148 CA LEU A 164 -7.323 -2.918 -0.561 1.00 0.00 C ATOM 149 C LEU A 164 -8.727 -2.329 -0.467 1.00 0.00 C ATOM 150 O LEU A 164 -8.959 -1.371 0.270 1.00 0.00 O ATOM 151 CB LEU A 164 -6.781 -2.749 -1.981 1.00 0.00 C ATOM 152 CG LEU A 164 -5.417 -3.383 -2.260 1.00 0.00 C ATOM 153 CD1 LEU A 164 -5.101 -3.339 -3.746 1.00 0.00 C ATOM 154 CD2 LEU A 164 -4.329 -2.682 -1.460 1.00 0.00 C ATOM 0 H LEU A 164 -6.959 -4.956 -0.902 1.00 0.00 H new ATOM 0 HA LEU A 164 -6.677 -2.382 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -7.505 -3.172 -2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -6.715 -1.683 -2.199 1.00 0.00 H new ATOM 0 HG LEU A 164 -5.453 -4.427 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -4.127 -3.795 -3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -5.865 -3.888 -4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -5.084 -2.303 -4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -3.366 -3.146 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -4.293 -1.629 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -4.548 -2.768 -0.396 1.00 0.00 H new ATOM 166 N GLN A 165 -9.658 -2.911 -1.216 1.00 0.00 N ATOM 167 CA GLN A 165 -11.039 -2.444 -1.215 1.00 0.00 C ATOM 168 C GLN A 165 -11.571 -2.320 0.208 1.00 0.00 C ATOM 169 O GLN A 165 -12.186 -1.316 0.568 1.00 0.00 O ATOM 170 CB GLN A 165 -11.923 -3.397 -2.022 1.00 0.00 C ATOM 171 CG GLN A 165 -13.407 -3.243 -1.733 1.00 0.00 C ATOM 172 CD GLN A 165 -13.972 -1.940 -2.263 1.00 0.00 C ATOM 173 OE1 GLN A 165 -13.235 -1.085 -2.756 1.00 0.00 O ATOM 174 NE2 GLN A 165 -15.287 -1.780 -2.164 1.00 0.00 N ATOM 0 H GLN A 165 -9.481 -3.706 -1.830 1.00 0.00 H new ATOM 0 HA GLN A 165 -11.062 -1.458 -1.679 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -11.749 -3.228 -3.085 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -11.625 -4.424 -1.809 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -13.949 -4.077 -2.178 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -13.571 -3.295 -0.657 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -15.860 -2.514 -1.748 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -15.723 -0.923 -2.504 1.00 0.00 H new ATOM 183 N VAL A 166 -11.331 -3.349 1.016 1.00 0.00 N ATOM 184 CA VAL A 166 -11.786 -3.355 2.401 1.00 0.00 C ATOM 185 C VAL A 166 -11.153 -2.216 3.192 1.00 0.00 C ATOM 186 O VAL A 166 -11.842 -1.298 3.636 1.00 0.00 O ATOM 187 CB VAL A 166 -11.457 -4.691 3.094 1.00 0.00 C ATOM 188 CG1 VAL A 166 -11.780 -4.617 4.578 1.00 0.00 C ATOM 189 CG2 VAL A 166 -12.211 -5.834 2.432 1.00 0.00 C ATOM 0 H VAL A 166 -10.824 -4.188 0.735 1.00 0.00 H new ATOM 0 HA VAL A 166 -12.868 -3.222 2.380 1.00 0.00 H new ATOM 0 HB VAL A 166 -10.389 -4.881 2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -11.541 -5.570 5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -11.190 -3.825 5.040 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -12.841 -4.403 4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -11.967 -6.770 2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -13.283 -5.653 2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -11.924 -5.900 1.383 1.00 0.00 H new ATOM 199 N MET A 167 -9.837 -2.281 3.365 1.00 0.00 N ATOM 200 CA MET A 167 -9.111 -1.254 4.101 1.00 0.00 C ATOM 201 C MET A 167 -9.502 0.140 3.619 1.00 0.00 C ATOM 202 O MET A 167 -9.646 1.065 4.417 1.00 0.00 O ATOM 203 CB MET A 167 -7.602 -1.455 3.947 1.00 0.00 C ATOM 204 CG MET A 167 -7.001 -0.679 2.786 1.00 0.00 C ATOM 205 SD MET A 167 -5.310 -1.182 2.417 1.00 0.00 S ATOM 206 CE MET A 167 -4.388 0.171 3.144 1.00 0.00 C ATOM 0 H MET A 167 -9.252 -3.035 3.005 1.00 0.00 H new ATOM 0 HA MET A 167 -9.376 -1.343 5.155 1.00 0.00 H new ATOM 0 HB2 MET A 167 -7.107 -1.153 4.870 1.00 0.00 H new ATOM 0 HB3 MET A 167 -7.397 -2.517 3.808 1.00 0.00 H new ATOM 0 HG2 MET A 167 -7.620 -0.821 1.900 1.00 0.00 H new ATOM 0 HG3 MET A 167 -7.017 0.386 3.019 1.00 0.00 H new ATOM 0 HE1 MET A 167 -3.455 -0.207 3.562 1.00 0.00 H new ATOM 0 HE2 MET A 167 -4.167 0.914 2.378 1.00 0.00 H new ATOM 0 HE3 MET A 167 -4.980 0.631 3.935 1.00 0.00 H new ATOM 216 N TRP A 168 -9.671 0.281 2.309 1.00 0.00 N ATOM 217 CA TRP A 168 -10.045 1.562 1.721 1.00 0.00 C ATOM 218 C TRP A 168 -11.308 2.113 2.374 1.00 0.00 C ATOM 219 O TRP A 168 -11.264 3.119 3.084 1.00 0.00 O ATOM 220 CB TRP A 168 -10.259 1.412 0.214 1.00 0.00 C ATOM 221 CG TRP A 168 -10.074 2.693 -0.543 1.00 0.00 C ATOM 222 CD1 TRP A 168 -8.927 3.135 -1.138 1.00 0.00 C ATOM 223 CD2 TRP A 168 -11.066 3.697 -0.783 1.00 0.00 C ATOM 224 NE1 TRP A 168 -9.147 4.353 -1.734 1.00 0.00 N ATOM 225 CE2 TRP A 168 -10.451 4.719 -1.532 1.00 0.00 C ATOM 226 CE3 TRP A 168 -12.414 3.830 -0.441 1.00 0.00 C ATOM 227 CZ2 TRP A 168 -11.139 5.858 -1.941 1.00 0.00 C ATOM 228 CZ3 TRP A 168 -13.096 4.962 -0.848 1.00 0.00 C ATOM 229 CH2 TRP A 168 -12.458 5.963 -1.592 1.00 0.00 C ATOM 0 H TRP A 168 -9.555 -0.475 1.634 1.00 0.00 H new ATOM 0 HA TRP A 168 -9.231 2.265 1.897 1.00 0.00 H new ATOM 0 HB2 TRP A 168 -9.564 0.667 -0.172 1.00 0.00 H new ATOM 0 HB3 TRP A 168 -11.265 1.033 0.033 1.00 0.00 H new ATOM 0 HD1 TRP A 168 -7.986 2.605 -1.140 1.00 0.00 H new ATOM 0 HE1 TRP A 168 -8.451 4.897 -2.245 1.00 0.00 H new ATOM 0 HE3 TRP A 168 -12.914 3.063 0.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 168 -10.649 6.632 -2.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 168 -14.138 5.076 -0.588 1.00 0.00 H new ATOM 0 HH2 TRP A 168 -13.018 6.835 -1.896 1.00 0.00 H new ATOM 240 N LEU A 169 -12.433 1.450 2.129 1.00 0.00 N ATOM 241 CA LEU A 169 -13.709 1.873 2.694 1.00 0.00 C ATOM 242 C LEU A 169 -13.594 2.087 4.200 1.00 0.00 C ATOM 243 O LEU A 169 -14.080 3.084 4.734 1.00 0.00 O ATOM 244 CB LEU A 169 -14.791 0.834 2.397 1.00 0.00 C ATOM 245 CG LEU A 169 -15.466 0.940 1.029 1.00 0.00 C ATOM 246 CD1 LEU A 169 -14.590 0.319 -0.048 1.00 0.00 C ATOM 247 CD2 LEU A 169 -16.834 0.275 1.056 1.00 0.00 C ATOM 0 H LEU A 169 -12.487 0.617 1.543 1.00 0.00 H new ATOM 0 HA LEU A 169 -13.986 2.820 2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 169 -14.348 -0.158 2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 169 -15.560 0.909 3.166 1.00 0.00 H new ATOM 0 HG LEU A 169 -15.602 1.995 0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 169 -15.087 0.404 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 169 -13.634 0.840 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 169 -14.421 -0.733 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 169 -17.299 0.360 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 169 -16.722 -0.778 1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 169 -17.462 0.766 1.799 1.00 0.00 H new ATOM 259 N ALA A 170 -12.945 1.147 4.878 1.00 0.00 N ATOM 260 CA ALA A 170 -12.762 1.234 6.322 1.00 0.00 C ATOM 261 C ALA A 170 -12.234 2.607 6.726 1.00 0.00 C ATOM 262 O ALA A 170 -12.839 3.298 7.546 1.00 0.00 O ATOM 263 CB ALA A 170 -11.818 0.141 6.801 1.00 0.00 C ATOM 0 H ALA A 170 -12.537 0.316 4.451 1.00 0.00 H new ATOM 0 HA ALA A 170 -13.733 1.093 6.796 1.00 0.00 H new ATOM 0 HB1 ALA A 170 -11.690 0.218 7.881 1.00 0.00 H new ATOM 0 HB2 ALA A 170 -12.236 -0.835 6.554 1.00 0.00 H new ATOM 0 HB3 ALA A 170 -10.851 0.256 6.312 1.00 0.00 H new ATOM 269 N ASP A 171 -11.104 2.995 6.146 1.00 0.00 N ATOM 270 CA ASP A 171 -10.495 4.286 6.445 1.00 0.00 C ATOM 271 C ASP A 171 -11.485 5.422 6.208 1.00 0.00 C ATOM 272 O ASP A 171 -11.551 6.373 6.986 1.00 0.00 O ATOM 273 CB ASP A 171 -9.245 4.494 5.589 1.00 0.00 C ATOM 274 CG ASP A 171 -8.434 5.696 6.033 1.00 0.00 C ATOM 275 OD1 ASP A 171 -8.368 5.950 7.254 1.00 0.00 O ATOM 276 OD2 ASP A 171 -7.863 6.382 5.159 1.00 0.00 O ATOM 0 H ASP A 171 -10.591 2.434 5.466 1.00 0.00 H new ATOM 0 HA ASP A 171 -10.210 4.291 7.497 1.00 0.00 H new ATOM 0 HB2 ASP A 171 -8.622 3.601 5.637 1.00 0.00 H new ATOM 0 HB3 ASP A 171 -9.539 4.622 4.547 1.00 0.00 H new ATOM 281 N ARG A 172 -12.251 5.316 5.127 1.00 0.00 N ATOM 282 CA ARG A 172 -13.236 6.336 4.786 1.00 0.00 C ATOM 283 C ARG A 172 -14.352 6.382 5.825 1.00 0.00 C ATOM 284 O ARG A 172 -15.023 7.403 5.986 1.00 0.00 O ATOM 285 CB ARG A 172 -13.825 6.063 3.401 1.00 0.00 C ATOM 286 CG ARG A 172 -12.774 5.841 2.325 1.00 0.00 C ATOM 287 CD ARG A 172 -12.065 7.137 1.964 1.00 0.00 C ATOM 288 NE ARG A 172 -10.912 7.389 2.824 1.00 0.00 N ATOM 289 CZ ARG A 172 -10.413 8.599 3.049 1.00 0.00 C ATOM 290 NH1 ARG A 172 -10.963 9.663 2.479 1.00 0.00 N ATOM 291 NH2 ARG A 172 -9.362 8.747 3.844 1.00 0.00 N ATOM 0 H ARG A 172 -12.209 4.535 4.473 1.00 0.00 H new ATOM 0 HA ARG A 172 -12.733 7.303 4.775 1.00 0.00 H new ATOM 0 HB2 ARG A 172 -14.468 5.185 3.456 1.00 0.00 H new ATOM 0 HB3 ARG A 172 -14.457 6.903 3.112 1.00 0.00 H new ATOM 0 HG2 ARG A 172 -12.044 5.110 2.673 1.00 0.00 H new ATOM 0 HG3 ARG A 172 -13.245 5.422 1.436 1.00 0.00 H new ATOM 0 HD2 ARG A 172 -11.739 7.094 0.925 1.00 0.00 H new ATOM 0 HD3 ARG A 172 -12.766 7.968 2.045 1.00 0.00 H new ATOM 0 HE ARG A 172 -10.465 6.592 3.277 1.00 0.00 H new ATOM 0 HH11 ARG A 172 -11.771 9.553 1.866 1.00 0.00 H new ATOM 0 HH12 ARG A 172 -10.578 10.591 2.653 1.00 0.00 H new ATOM 0 HH21 ARG A 172 -8.936 7.931 4.283 1.00 0.00 H new ATOM 0 HH22 ARG A 172 -8.980 9.677 4.016 1.00 0.00 H new ATOM 305 N HIS A 173 -14.547 5.271 6.528 1.00 0.00 N ATOM 306 CA HIS A 173 -15.583 5.185 7.551 1.00 0.00 C ATOM 307 C HIS A 173 -14.967 5.177 8.947 1.00 0.00 C ATOM 308 O HIS A 173 -15.560 4.661 9.895 1.00 0.00 O ATOM 309 CB HIS A 173 -16.429 3.928 7.347 1.00 0.00 C ATOM 310 CG HIS A 173 -16.911 3.753 5.940 1.00 0.00 C ATOM 311 ND1 HIS A 173 -17.810 4.609 5.340 1.00 0.00 N ATOM 312 CD2 HIS A 173 -16.613 2.813 5.013 1.00 0.00 C ATOM 313 CE1 HIS A 173 -18.045 4.203 4.106 1.00 0.00 C ATOM 314 NE2 HIS A 173 -17.331 3.115 3.882 1.00 0.00 N ATOM 0 H HIS A 173 -14.001 4.418 6.408 1.00 0.00 H new ATOM 0 HA HIS A 173 -16.223 6.062 7.460 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -15.842 3.055 7.633 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -17.289 3.967 8.015 1.00 0.00 H new ATOM 0 HD2 HIS A 173 -15.937 1.981 5.139 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -18.709 4.680 3.400 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -17.315 2.585 3.011 1.00 0.00 H new ATOM 322 N SER A 174 -13.775 5.752 9.066 1.00 0.00 N ATOM 323 CA SER A 174 -13.077 5.807 10.345 1.00 0.00 C ATOM 324 C SER A 174 -13.108 4.449 11.040 1.00 0.00 C ATOM 325 O SER A 174 -13.350 4.360 12.244 1.00 0.00 O ATOM 326 CB SER A 174 -13.706 6.869 11.249 1.00 0.00 C ATOM 327 OG SER A 174 -12.853 7.186 12.335 1.00 0.00 O ATOM 0 H SER A 174 -13.272 6.186 8.292 1.00 0.00 H new ATOM 0 HA SER A 174 -12.038 6.074 10.152 1.00 0.00 H new ATOM 0 HB2 SER A 174 -13.911 7.769 10.669 1.00 0.00 H new ATOM 0 HB3 SER A 174 -14.663 6.508 11.627 1.00 0.00 H new ATOM 0 HG SER A 174 -12.621 6.366 12.819 1.00 0.00 H new ATOM 333 N ASP A 175 -12.861 3.393 10.272 1.00 0.00 N ATOM 334 CA ASP A 175 -12.859 2.038 10.812 1.00 0.00 C ATOM 335 C ASP A 175 -11.433 1.534 11.009 1.00 0.00 C ATOM 336 O ASP A 175 -10.791 1.037 10.083 1.00 0.00 O ATOM 337 CB ASP A 175 -13.623 1.095 9.882 1.00 0.00 C ATOM 338 CG ASP A 175 -14.270 -0.055 10.629 1.00 0.00 C ATOM 339 OD1 ASP A 175 -14.504 0.085 11.848 1.00 0.00 O ATOM 340 OD2 ASP A 175 -14.543 -1.095 9.994 1.00 0.00 O ATOM 0 H ASP A 175 -12.660 3.449 9.274 1.00 0.00 H new ATOM 0 HA ASP A 175 -13.355 2.059 11.782 1.00 0.00 H new ATOM 0 HB2 ASP A 175 -14.391 1.657 9.350 1.00 0.00 H new ATOM 0 HB3 ASP A 175 -12.940 0.698 9.131 1.00 0.00 H new ATOM 345 N PRO A 176 -10.924 1.664 12.243 1.00 0.00 N ATOM 346 CA PRO A 176 -9.568 1.227 12.590 1.00 0.00 C ATOM 347 C PRO A 176 -9.429 -0.291 12.587 1.00 0.00 C ATOM 348 O PRO A 176 -8.485 -0.836 12.015 1.00 0.00 O ATOM 349 CB PRO A 176 -9.368 1.780 14.003 1.00 0.00 C ATOM 350 CG PRO A 176 -10.745 1.904 14.559 1.00 0.00 C ATOM 351 CD PRO A 176 -11.632 2.247 13.394 1.00 0.00 C ATOM 0 HA PRO A 176 -8.829 1.581 11.871 1.00 0.00 H new ATOM 0 HB2 PRO A 176 -8.756 1.111 14.607 1.00 0.00 H new ATOM 0 HB3 PRO A 176 -8.861 2.745 13.983 1.00 0.00 H new ATOM 0 HG2 PRO A 176 -11.061 0.973 15.030 1.00 0.00 H new ATOM 0 HG3 PRO A 176 -10.789 2.679 15.324 1.00 0.00 H new ATOM 0 HD2 PRO A 176 -12.629 1.822 13.510 1.00 0.00 H new ATOM 0 HD3 PRO A 176 -11.755 3.325 13.286 1.00 0.00 H new ATOM 359 N GLU A 177 -10.376 -0.969 13.228 1.00 0.00 N ATOM 360 CA GLU A 177 -10.358 -2.425 13.299 1.00 0.00 C ATOM 361 C GLU A 177 -10.118 -3.034 11.920 1.00 0.00 C ATOM 362 O GLU A 177 -9.157 -3.775 11.714 1.00 0.00 O ATOM 363 CB GLU A 177 -11.675 -2.947 13.877 1.00 0.00 C ATOM 364 CG GLU A 177 -12.906 -2.402 13.172 1.00 0.00 C ATOM 365 CD GLU A 177 -14.110 -2.310 14.090 1.00 0.00 C ATOM 366 OE1 GLU A 177 -14.717 -3.363 14.379 1.00 0.00 O ATOM 367 OE2 GLU A 177 -14.446 -1.187 14.519 1.00 0.00 O ATOM 0 H GLU A 177 -11.165 -0.533 13.705 1.00 0.00 H new ATOM 0 HA GLU A 177 -9.540 -2.721 13.956 1.00 0.00 H new ATOM 0 HB2 GLU A 177 -11.683 -4.035 13.816 1.00 0.00 H new ATOM 0 HB3 GLU A 177 -11.727 -2.687 14.934 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -12.683 -1.413 12.771 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -13.148 -3.043 12.324 1.00 0.00 H new ATOM 374 N LEU A 178 -11.000 -2.715 10.978 1.00 0.00 N ATOM 375 CA LEU A 178 -10.886 -3.230 9.618 1.00 0.00 C ATOM 376 C LEU A 178 -9.693 -2.610 8.899 1.00 0.00 C ATOM 377 O LEU A 178 -8.742 -3.306 8.539 1.00 0.00 O ATOM 378 CB LEU A 178 -12.170 -2.948 8.836 1.00 0.00 C ATOM 379 CG LEU A 178 -12.323 -3.689 7.507 1.00 0.00 C ATOM 380 CD1 LEU A 178 -12.292 -5.193 7.727 1.00 0.00 C ATOM 381 CD2 LEU A 178 -13.612 -3.276 6.811 1.00 0.00 C ATOM 0 H LEU A 178 -11.801 -2.103 11.131 1.00 0.00 H new ATOM 0 HA LEU A 178 -10.732 -4.307 9.676 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -13.020 -3.200 9.470 1.00 0.00 H new ATOM 0 HB3 LEU A 178 -12.225 -1.877 8.640 1.00 0.00 H new ATOM 0 HG LEU A 178 -11.485 -3.420 6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 178 -12.402 -5.703 6.770 1.00 0.00 H new ATOM 0 HD12 LEU A 178 -11.342 -5.475 8.181 1.00 0.00 H new ATOM 0 HD13 LEU A 178 -13.110 -5.481 8.388 1.00 0.00 H new ATOM 0 HD21 LEU A 178 -13.704 -3.813 5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 178 -14.463 -3.515 7.449 1.00 0.00 H new ATOM 0 HD23 LEU A 178 -13.594 -2.203 6.618 1.00 0.00 H new ATOM 393 N TYR A 179 -9.747 -1.299 8.696 1.00 0.00 N ATOM 394 CA TYR A 179 -8.671 -0.585 8.020 1.00 0.00 C ATOM 395 C TYR A 179 -7.309 -1.136 8.431 1.00 0.00 C ATOM 396 O TYR A 179 -6.483 -1.481 7.586 1.00 0.00 O ATOM 397 CB TYR A 179 -8.745 0.910 8.335 1.00 0.00 C ATOM 398 CG TYR A 179 -7.750 1.743 7.559 1.00 0.00 C ATOM 399 CD1 TYR A 179 -7.462 1.457 6.230 1.00 0.00 C ATOM 400 CD2 TYR A 179 -7.098 2.816 8.154 1.00 0.00 C ATOM 401 CE1 TYR A 179 -6.553 2.214 5.517 1.00 0.00 C ATOM 402 CE2 TYR A 179 -6.189 3.580 7.449 1.00 0.00 C ATOM 403 CZ TYR A 179 -5.920 3.275 6.131 1.00 0.00 C ATOM 404 OH TYR A 179 -5.013 4.033 5.425 1.00 0.00 O ATOM 0 H TYR A 179 -10.525 -0.709 8.990 1.00 0.00 H new ATOM 0 HA TYR A 179 -8.792 -0.729 6.946 1.00 0.00 H new ATOM 0 HB2 TYR A 179 -9.752 1.268 8.120 1.00 0.00 H new ATOM 0 HB3 TYR A 179 -8.575 1.057 9.402 1.00 0.00 H new ATOM 0 HD1 TYR A 179 -7.958 0.628 5.746 1.00 0.00 H new ATOM 0 HD2 TYR A 179 -7.306 3.057 9.186 1.00 0.00 H new ATOM 0 HE1 TYR A 179 -6.339 1.977 4.485 1.00 0.00 H new ATOM 0 HE2 TYR A 179 -5.692 4.411 7.927 1.00 0.00 H new ATOM 0 HH TYR A 179 -4.838 4.868 5.908 1.00 0.00 H new ATOM 414 N THR A 180 -7.081 -1.216 9.739 1.00 0.00 N ATOM 415 CA THR A 180 -5.820 -1.724 10.265 1.00 0.00 C ATOM 416 C THR A 180 -5.562 -3.150 9.793 1.00 0.00 C ATOM 417 O THR A 180 -4.493 -3.455 9.265 1.00 0.00 O ATOM 418 CB THR A 180 -5.802 -1.694 11.805 1.00 0.00 C ATOM 419 OG1 THR A 180 -6.087 -0.371 12.273 1.00 0.00 O ATOM 420 CG2 THR A 180 -4.451 -2.145 12.339 1.00 0.00 C ATOM 0 H THR A 180 -7.753 -0.935 10.453 1.00 0.00 H new ATOM 0 HA THR A 180 -5.033 -1.071 9.886 1.00 0.00 H new ATOM 0 HB THR A 180 -6.567 -2.380 12.168 1.00 0.00 H new ATOM 0 HG1 THR A 180 -7.026 -0.155 12.093 1.00 0.00 H new ATOM 0 HG21 THR A 180 -4.462 -2.116 13.429 1.00 0.00 H new ATOM 0 HG22 THR A 180 -4.249 -3.163 12.006 1.00 0.00 H new ATOM 0 HG23 THR A 180 -3.672 -1.480 11.966 1.00 0.00 H new ATOM 428 N ALA A 181 -6.548 -4.019 9.985 1.00 0.00 N ATOM 429 CA ALA A 181 -6.428 -5.413 9.575 1.00 0.00 C ATOM 430 C ALA A 181 -5.996 -5.522 8.117 1.00 0.00 C ATOM 431 O ALA A 181 -4.886 -5.960 7.819 1.00 0.00 O ATOM 432 CB ALA A 181 -7.745 -6.143 9.794 1.00 0.00 C ATOM 0 H ALA A 181 -7.439 -3.783 10.422 1.00 0.00 H new ATOM 0 HA ALA A 181 -5.659 -5.881 10.190 1.00 0.00 H new ATOM 0 HB1 ALA A 181 -7.641 -7.183 9.484 1.00 0.00 H new ATOM 0 HB2 ALA A 181 -8.011 -6.105 10.850 1.00 0.00 H new ATOM 0 HB3 ALA A 181 -8.528 -5.665 9.205 1.00 0.00 H new ATOM 438 N ALA A 182 -6.882 -5.121 7.211 1.00 0.00 N ATOM 439 CA ALA A 182 -6.592 -5.172 5.783 1.00 0.00 C ATOM 440 C ALA A 182 -5.290 -4.445 5.462 1.00 0.00 C ATOM 441 O ALA A 182 -4.429 -4.974 4.758 1.00 0.00 O ATOM 442 CB ALA A 182 -7.743 -4.573 4.989 1.00 0.00 C ATOM 0 H ALA A 182 -7.807 -4.757 7.441 1.00 0.00 H new ATOM 0 HA ALA A 182 -6.474 -6.217 5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 182 -7.513 -4.618 3.925 1.00 0.00 H new ATOM 0 HB2 ALA A 182 -8.654 -5.137 5.187 1.00 0.00 H new ATOM 0 HB3 ALA A 182 -7.888 -3.534 5.286 1.00 0.00 H new ATOM 448 N LYS A 183 -5.152 -3.230 5.981 1.00 0.00 N ATOM 449 CA LYS A 183 -3.955 -2.430 5.750 1.00 0.00 C ATOM 450 C LYS A 183 -2.695 -3.245 6.026 1.00 0.00 C ATOM 451 O LYS A 183 -1.751 -3.232 5.235 1.00 0.00 O ATOM 452 CB LYS A 183 -3.972 -1.182 6.635 1.00 0.00 C ATOM 453 CG LYS A 183 -2.752 -0.295 6.459 1.00 0.00 C ATOM 454 CD LYS A 183 -3.033 1.133 6.897 1.00 0.00 C ATOM 455 CE LYS A 183 -3.221 1.227 8.404 1.00 0.00 C ATOM 456 NZ LYS A 183 -1.932 1.464 9.110 1.00 0.00 N ATOM 0 H LYS A 183 -5.855 -2.777 6.565 1.00 0.00 H new ATOM 0 HA LYS A 183 -3.948 -2.125 4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -4.868 -0.602 6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -4.041 -1.488 7.679 1.00 0.00 H new ATOM 0 HG2 LYS A 183 -1.922 -0.698 7.039 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -2.444 -0.302 5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -2.209 1.777 6.591 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -3.928 1.500 6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -3.915 2.036 8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -3.672 0.306 8.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -2.103 1.522 10.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -1.278 0.680 8.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -1.513 2.356 8.778 1.00 0.00 H new ATOM 470 N HIS A 184 -2.688 -3.953 7.151 1.00 0.00 N ATOM 471 CA HIS A 184 -1.544 -4.775 7.529 1.00 0.00 C ATOM 472 C HIS A 184 -1.263 -5.836 6.469 1.00 0.00 C ATOM 473 O HIS A 184 -0.176 -5.878 5.891 1.00 0.00 O ATOM 474 CB HIS A 184 -1.794 -5.442 8.882 1.00 0.00 C ATOM 475 CG HIS A 184 -1.594 -4.524 10.048 1.00 0.00 C ATOM 476 ND1 HIS A 184 -1.351 -4.976 11.328 1.00 0.00 N ATOM 477 CD2 HIS A 184 -1.602 -3.173 10.123 1.00 0.00 C ATOM 478 CE1 HIS A 184 -1.219 -3.942 12.140 1.00 0.00 C ATOM 479 NE2 HIS A 184 -1.367 -2.836 11.433 1.00 0.00 N ATOM 0 H HIS A 184 -3.461 -3.974 7.816 1.00 0.00 H new ATOM 0 HA HIS A 184 -0.672 -4.126 7.608 1.00 0.00 H new ATOM 0 HB2 HIS A 184 -2.813 -5.828 8.905 1.00 0.00 H new ATOM 0 HB3 HIS A 184 -1.127 -6.298 8.985 1.00 0.00 H new ATOM 0 HD2 HIS A 184 -1.763 -2.487 9.304 1.00 0.00 H new ATOM 0 HE1 HIS A 184 -1.023 -3.992 13.201 1.00 0.00 H new ATOM 0 HE2 HIS A 184 -1.315 -1.886 11.801 1.00 0.00 H new ATOM 487 N CYS A 185 -2.248 -6.691 6.220 1.00 0.00 N ATOM 488 CA CYS A 185 -2.107 -7.754 5.231 1.00 0.00 C ATOM 489 C CYS A 185 -1.588 -7.199 3.908 1.00 0.00 C ATOM 490 O CYS A 185 -0.991 -7.923 3.112 1.00 0.00 O ATOM 491 CB CYS A 185 -3.447 -8.457 5.012 1.00 0.00 C ATOM 492 SG CYS A 185 -3.299 -10.175 4.467 1.00 0.00 S ATOM 0 H CYS A 185 -3.153 -6.669 6.689 1.00 0.00 H new ATOM 0 HA CYS A 185 -1.384 -8.476 5.611 1.00 0.00 H new ATOM 0 HB2 CYS A 185 -4.016 -8.430 5.942 1.00 0.00 H new ATOM 0 HB3 CYS A 185 -4.020 -7.900 4.271 1.00 0.00 H new ATOM 0 HG CYS A 185 -4.485 -10.684 4.311 1.00 0.00 H new ATOM 498 N ALA A 186 -1.821 -5.911 3.680 1.00 0.00 N ATOM 499 CA ALA A 186 -1.377 -5.259 2.454 1.00 0.00 C ATOM 500 C ALA A 186 0.132 -5.035 2.467 1.00 0.00 C ATOM 501 O ALA A 186 0.837 -5.431 1.539 1.00 0.00 O ATOM 502 CB ALA A 186 -2.107 -3.938 2.264 1.00 0.00 C ATOM 0 H ALA A 186 -2.315 -5.298 4.328 1.00 0.00 H new ATOM 0 HA ALA A 186 -1.614 -5.915 1.617 1.00 0.00 H new ATOM 0 HB1 ALA A 186 -1.765 -3.462 1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 186 -3.180 -4.121 2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 186 -1.900 -3.283 3.110 1.00 0.00 H new ATOM 508 N LYS A 187 0.621 -4.397 3.525 1.00 0.00 N ATOM 509 CA LYS A 187 2.046 -4.120 3.660 1.00 0.00 C ATOM 510 C LYS A 187 2.864 -5.401 3.532 1.00 0.00 C ATOM 511 O LYS A 187 3.948 -5.402 2.947 1.00 0.00 O ATOM 512 CB LYS A 187 2.331 -3.453 5.008 1.00 0.00 C ATOM 513 CG LYS A 187 2.674 -4.437 6.113 1.00 0.00 C ATOM 514 CD LYS A 187 2.902 -3.730 7.438 1.00 0.00 C ATOM 515 CE LYS A 187 1.614 -3.615 8.238 1.00 0.00 C ATOM 516 NZ LYS A 187 1.863 -3.139 9.627 1.00 0.00 N ATOM 0 H LYS A 187 0.051 -4.062 4.302 1.00 0.00 H new ATOM 0 HA LYS A 187 2.337 -3.443 2.857 1.00 0.00 H new ATOM 0 HB2 LYS A 187 3.156 -2.751 4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 187 1.459 -2.872 5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 187 1.866 -5.161 6.220 1.00 0.00 H new ATOM 0 HG3 LYS A 187 3.569 -4.996 5.839 1.00 0.00 H new ATOM 0 HD2 LYS A 187 3.645 -4.276 8.019 1.00 0.00 H new ATOM 0 HD3 LYS A 187 3.308 -2.735 7.255 1.00 0.00 H new ATOM 0 HE2 LYS A 187 0.935 -2.927 7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 187 1.119 -4.586 8.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 187 1.018 -2.648 9.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 187 2.074 -3.952 10.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 187 2.671 -2.484 9.630 1.00 0.00 H new ATOM 530 N THR A 188 2.338 -6.491 4.081 1.00 0.00 N ATOM 531 CA THR A 188 3.019 -7.778 4.027 1.00 0.00 C ATOM 532 C THR A 188 2.949 -8.380 2.628 1.00 0.00 C ATOM 533 O THR A 188 3.906 -8.995 2.157 1.00 0.00 O ATOM 534 CB THR A 188 2.416 -8.776 5.033 1.00 0.00 C ATOM 535 OG1 THR A 188 3.128 -10.017 4.981 1.00 0.00 O ATOM 536 CG2 THR A 188 0.943 -9.018 4.738 1.00 0.00 C ATOM 0 H THR A 188 1.442 -6.508 4.568 1.00 0.00 H new ATOM 0 HA THR A 188 4.061 -7.594 4.289 1.00 0.00 H new ATOM 0 HB THR A 188 2.506 -8.349 6.032 1.00 0.00 H new ATOM 0 HG1 THR A 188 2.739 -10.645 5.625 1.00 0.00 H new ATOM 0 HG21 THR A 188 0.539 -9.726 5.461 1.00 0.00 H new ATOM 0 HG22 THR A 188 0.398 -8.076 4.808 1.00 0.00 H new ATOM 0 HG23 THR A 188 0.835 -9.425 3.733 1.00 0.00 H new ATOM 544 N HIS A 189 1.810 -8.198 1.967 1.00 0.00 N ATOM 545 CA HIS A 189 1.615 -8.722 0.620 1.00 0.00 C ATOM 546 C HIS A 189 1.341 -7.592 -0.368 1.00 0.00 C ATOM 547 O HIS A 189 0.311 -7.580 -1.043 1.00 0.00 O ATOM 548 CB HIS A 189 0.459 -9.723 0.602 1.00 0.00 C ATOM 549 CG HIS A 189 0.629 -10.853 1.570 1.00 0.00 C ATOM 550 ND1 HIS A 189 1.821 -11.524 1.740 1.00 0.00 N ATOM 551 CD2 HIS A 189 -0.250 -11.427 2.423 1.00 0.00 C ATOM 552 CE1 HIS A 189 1.667 -12.465 2.655 1.00 0.00 C ATOM 553 NE2 HIS A 189 0.419 -12.427 3.086 1.00 0.00 N ATOM 0 H HIS A 189 1.008 -7.692 2.342 1.00 0.00 H new ATOM 0 HA HIS A 189 2.531 -9.231 0.318 1.00 0.00 H new ATOM 0 HB2 HIS A 189 -0.469 -9.198 0.829 1.00 0.00 H new ATOM 0 HB3 HIS A 189 0.357 -10.130 -0.404 1.00 0.00 H new ATOM 0 HD2 HIS A 189 -1.285 -11.151 2.558 1.00 0.00 H new ATOM 0 HE1 HIS A 189 2.432 -13.149 2.993 1.00 0.00 H new ATOM 0 HE2 HIS A 189 0.017 -13.040 3.795 1.00 0.00 H new ATOM 561 N LEU A 190 2.269 -6.645 -0.448 1.00 0.00 N ATOM 562 CA LEU A 190 2.128 -5.510 -1.353 1.00 0.00 C ATOM 563 C LEU A 190 2.269 -5.952 -2.806 1.00 0.00 C ATOM 564 O LEU A 190 1.518 -5.510 -3.675 1.00 0.00 O ATOM 565 CB LEU A 190 3.174 -4.441 -1.030 1.00 0.00 C ATOM 566 CG LEU A 190 2.781 -2.999 -1.351 1.00 0.00 C ATOM 567 CD1 LEU A 190 3.712 -2.023 -0.648 1.00 0.00 C ATOM 568 CD2 LEU A 190 2.795 -2.764 -2.854 1.00 0.00 C ATOM 0 H LEU A 190 3.127 -6.641 0.103 1.00 0.00 H new ATOM 0 HA LEU A 190 1.132 -5.089 -1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 190 3.412 -4.504 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 190 4.087 -4.678 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 190 1.768 -2.829 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 190 3.417 -1.002 -0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 190 3.651 -2.174 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 190 4.736 -2.193 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 190 2.513 -1.732 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 190 3.796 -2.952 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 190 2.086 -3.439 -3.334 1.00 0.00 H new ATOM 580 N ALA A 191 3.234 -6.829 -3.062 1.00 0.00 N ATOM 581 CA ALA A 191 3.470 -7.334 -4.409 1.00 0.00 C ATOM 582 C ALA A 191 2.180 -7.850 -5.036 1.00 0.00 C ATOM 583 O ALA A 191 1.774 -7.396 -6.105 1.00 0.00 O ATOM 584 CB ALA A 191 4.523 -8.433 -4.383 1.00 0.00 C ATOM 0 H ALA A 191 3.865 -7.205 -2.354 1.00 0.00 H new ATOM 0 HA ALA A 191 3.835 -6.509 -5.021 1.00 0.00 H new ATOM 0 HB1 ALA A 191 4.690 -8.801 -5.395 1.00 0.00 H new ATOM 0 HB2 ALA A 191 5.456 -8.034 -3.984 1.00 0.00 H new ATOM 0 HB3 ALA A 191 4.179 -9.252 -3.751 1.00 0.00 H new ATOM 590 N GLN A 192 1.540 -8.801 -4.363 1.00 0.00 N ATOM 591 CA GLN A 192 0.295 -9.380 -4.856 1.00 0.00 C ATOM 592 C GLN A 192 -0.678 -8.288 -5.289 1.00 0.00 C ATOM 593 O GLN A 192 -1.614 -8.542 -6.049 1.00 0.00 O ATOM 594 CB GLN A 192 -0.347 -10.255 -3.779 1.00 0.00 C ATOM 595 CG GLN A 192 0.226 -11.661 -3.716 1.00 0.00 C ATOM 596 CD GLN A 192 0.312 -12.318 -5.079 1.00 0.00 C ATOM 597 OE1 GLN A 192 1.388 -12.411 -5.669 1.00 0.00 O ATOM 598 NE2 GLN A 192 -0.825 -12.779 -5.588 1.00 0.00 N ATOM 0 H GLN A 192 1.862 -9.187 -3.476 1.00 0.00 H new ATOM 0 HA GLN A 192 0.529 -9.998 -5.723 1.00 0.00 H new ATOM 0 HB2 GLN A 192 -0.218 -9.775 -2.809 1.00 0.00 H new ATOM 0 HB3 GLN A 192 -1.419 -10.317 -3.964 1.00 0.00 H new ATOM 0 HG2 GLN A 192 1.220 -11.624 -3.271 1.00 0.00 H new ATOM 0 HG3 GLN A 192 -0.394 -12.273 -3.061 1.00 0.00 H new ATOM 0 HE21 GLN A 192 -1.695 -12.681 -5.065 1.00 0.00 H new ATOM 0 HE22 GLN A 192 -0.828 -13.231 -6.502 1.00 0.00 H new ATOM 607 N LEU A 193 -0.452 -7.074 -4.801 1.00 0.00 N ATOM 608 CA LEU A 193 -1.310 -5.942 -5.137 1.00 0.00 C ATOM 609 C LEU A 193 -0.629 -5.024 -6.147 1.00 0.00 C ATOM 610 O LEU A 193 -1.293 -4.369 -6.950 1.00 0.00 O ATOM 611 CB LEU A 193 -1.668 -5.156 -3.875 1.00 0.00 C ATOM 612 CG LEU A 193 -1.963 -5.987 -2.627 1.00 0.00 C ATOM 613 CD1 LEU A 193 -1.888 -5.122 -1.378 1.00 0.00 C ATOM 614 CD2 LEU A 193 -3.329 -6.650 -2.738 1.00 0.00 C ATOM 0 H LEU A 193 0.318 -6.847 -4.171 1.00 0.00 H new ATOM 0 HA LEU A 193 -2.224 -6.331 -5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -0.846 -4.477 -3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -2.540 -4.539 -4.091 1.00 0.00 H new ATOM 0 HG LEU A 193 -1.207 -6.768 -2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -2.101 -5.732 -0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -0.889 -4.696 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -2.621 -4.318 -1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -3.522 -7.238 -1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -4.098 -5.884 -2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -3.346 -7.303 -3.610 1.00 0.00 H new ATOM 626 N GLN A 194 0.699 -4.984 -6.101 1.00 0.00 N ATOM 627 CA GLN A 194 1.469 -4.147 -7.013 1.00 0.00 C ATOM 628 C GLN A 194 1.299 -4.613 -8.455 1.00 0.00 C ATOM 629 O GLN A 194 1.430 -3.826 -9.392 1.00 0.00 O ATOM 630 CB GLN A 194 2.950 -4.167 -6.630 1.00 0.00 C ATOM 631 CG GLN A 194 3.746 -5.254 -7.334 1.00 0.00 C ATOM 632 CD GLN A 194 5.235 -5.150 -7.071 1.00 0.00 C ATOM 633 OE1 GLN A 194 6.053 -5.445 -7.943 1.00 0.00 O ATOM 634 NE2 GLN A 194 5.596 -4.727 -5.865 1.00 0.00 N ATOM 0 H GLN A 194 1.263 -5.521 -5.442 1.00 0.00 H new ATOM 0 HA GLN A 194 1.094 -3.127 -6.933 1.00 0.00 H new ATOM 0 HB2 GLN A 194 3.390 -3.197 -6.863 1.00 0.00 H new ATOM 0 HB3 GLN A 194 3.036 -4.305 -5.552 1.00 0.00 H new ATOM 0 HG2 GLN A 194 3.390 -6.230 -7.005 1.00 0.00 H new ATOM 0 HG3 GLN A 194 3.565 -5.194 -8.407 1.00 0.00 H new ATOM 0 HE21 GLN A 194 4.885 -4.493 -5.172 1.00 0.00 H new ATOM 0 HE22 GLN A 194 6.585 -4.636 -5.631 1.00 0.00 H new ATOM 643 N ASN A 195 1.006 -5.898 -8.626 1.00 0.00 N ATOM 644 CA ASN A 195 0.818 -6.470 -9.954 1.00 0.00 C ATOM 645 C ASN A 195 -0.638 -6.358 -10.394 1.00 0.00 C ATOM 646 O ASN A 195 -1.036 -6.921 -11.415 1.00 0.00 O ATOM 647 CB ASN A 195 1.256 -7.936 -9.968 1.00 0.00 C ATOM 648 CG ASN A 195 1.343 -8.500 -11.373 1.00 0.00 C ATOM 649 OD1 ASN A 195 1.188 -7.775 -12.356 1.00 0.00 O ATOM 650 ND2 ASN A 195 1.591 -9.801 -11.474 1.00 0.00 N ATOM 0 H ASN A 195 0.894 -6.563 -7.861 1.00 0.00 H new ATOM 0 HA ASN A 195 1.435 -5.907 -10.655 1.00 0.00 H new ATOM 0 HB2 ASN A 195 2.228 -8.027 -9.482 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.551 -8.529 -9.385 1.00 0.00 H new ATOM 0 HD21 ASN A 195 1.660 -10.237 -12.393 1.00 0.00 H new ATOM 0 HD22 ASN A 195 1.713 -10.364 -10.632 1.00 0.00 H new ATOM 657 N THR A 196 -1.431 -5.628 -9.616 1.00 0.00 N ATOM 658 CA THR A 196 -2.844 -5.443 -9.923 1.00 0.00 C ATOM 659 C THR A 196 -3.148 -3.986 -10.253 1.00 0.00 C ATOM 660 O THR A 196 -2.327 -3.102 -10.012 1.00 0.00 O ATOM 661 CB THR A 196 -3.737 -5.889 -8.751 1.00 0.00 C ATOM 662 OG1 THR A 196 -3.643 -4.947 -7.677 1.00 0.00 O ATOM 663 CG2 THR A 196 -3.333 -7.270 -8.258 1.00 0.00 C ATOM 0 H THR A 196 -1.118 -5.155 -8.768 1.00 0.00 H new ATOM 0 HA THR A 196 -3.062 -6.063 -10.792 1.00 0.00 H new ATOM 0 HB THR A 196 -4.767 -5.934 -9.105 1.00 0.00 H new ATOM 0 HG1 THR A 196 -2.754 -4.534 -7.681 1.00 0.00 H new ATOM 0 HG21 THR A 196 -3.978 -7.564 -7.430 1.00 0.00 H new ATOM 0 HG22 THR A 196 -3.434 -7.990 -9.070 1.00 0.00 H new ATOM 0 HG23 THR A 196 -2.297 -7.247 -7.920 1.00 0.00 H new ATOM 671 N GLU A 197 -4.333 -3.744 -10.805 1.00 0.00 N ATOM 672 CA GLU A 197 -4.745 -2.393 -11.167 1.00 0.00 C ATOM 673 C GLU A 197 -5.211 -1.618 -9.938 1.00 0.00 C ATOM 674 O GLU A 197 -4.705 -0.535 -9.647 1.00 0.00 O ATOM 675 CB GLU A 197 -5.864 -2.439 -12.209 1.00 0.00 C ATOM 676 CG GLU A 197 -5.397 -2.881 -13.586 1.00 0.00 C ATOM 677 CD GLU A 197 -4.440 -1.892 -14.222 1.00 0.00 C ATOM 678 OE1 GLU A 197 -4.919 -0.902 -14.815 1.00 0.00 O ATOM 679 OE2 GLU A 197 -3.214 -2.107 -14.129 1.00 0.00 O ATOM 0 H GLU A 197 -5.024 -4.465 -11.011 1.00 0.00 H new ATOM 0 HA GLU A 197 -3.883 -1.880 -11.593 1.00 0.00 H new ATOM 0 HB2 GLU A 197 -6.643 -3.119 -11.863 1.00 0.00 H new ATOM 0 HB3 GLU A 197 -6.316 -1.450 -12.288 1.00 0.00 H new ATOM 0 HG2 GLU A 197 -4.909 -3.853 -13.506 1.00 0.00 H new ATOM 0 HG3 GLU A 197 -6.263 -3.012 -14.235 1.00 0.00 H new ATOM 686 N GLU A 198 -6.179 -2.182 -9.222 1.00 0.00 N ATOM 687 CA GLU A 198 -6.714 -1.543 -8.026 1.00 0.00 C ATOM 688 C GLU A 198 -5.621 -0.782 -7.280 1.00 0.00 C ATOM 689 O GLU A 198 -5.687 0.438 -7.135 1.00 0.00 O ATOM 690 CB GLU A 198 -7.346 -2.587 -7.102 1.00 0.00 C ATOM 691 CG GLU A 198 -8.807 -2.866 -7.409 1.00 0.00 C ATOM 692 CD GLU A 198 -9.258 -4.226 -6.911 1.00 0.00 C ATOM 693 OE1 GLU A 198 -8.905 -5.239 -7.549 1.00 0.00 O ATOM 694 OE2 GLU A 198 -9.965 -4.275 -5.883 1.00 0.00 O ATOM 0 H GLU A 198 -6.608 -3.079 -9.449 1.00 0.00 H new ATOM 0 HA GLU A 198 -7.480 -0.832 -8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 198 -6.783 -3.517 -7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 198 -7.259 -2.247 -6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 198 -9.425 -2.093 -6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 198 -8.966 -2.806 -8.486 1.00 0.00 H new ATOM 701 N PHE A 199 -4.617 -1.513 -6.807 1.00 0.00 N ATOM 702 CA PHE A 199 -3.511 -0.909 -6.075 1.00 0.00 C ATOM 703 C PHE A 199 -3.055 0.383 -6.746 1.00 0.00 C ATOM 704 O PHE A 199 -2.960 1.430 -6.103 1.00 0.00 O ATOM 705 CB PHE A 199 -2.339 -1.889 -5.980 1.00 0.00 C ATOM 706 CG PHE A 199 -1.067 -1.257 -5.491 1.00 0.00 C ATOM 707 CD1 PHE A 199 -0.886 -0.986 -4.145 1.00 0.00 C ATOM 708 CD2 PHE A 199 -0.053 -0.933 -6.378 1.00 0.00 C ATOM 709 CE1 PHE A 199 0.283 -0.404 -3.692 1.00 0.00 C ATOM 710 CE2 PHE A 199 1.118 -0.351 -5.932 1.00 0.00 C ATOM 711 CZ PHE A 199 1.287 -0.087 -4.587 1.00 0.00 C ATOM 0 H PHE A 199 -4.547 -2.525 -6.918 1.00 0.00 H new ATOM 0 HA PHE A 199 -3.860 -0.672 -5.070 1.00 0.00 H new ATOM 0 HB2 PHE A 199 -2.611 -2.704 -5.310 1.00 0.00 H new ATOM 0 HB3 PHE A 199 -2.163 -2.329 -6.962 1.00 0.00 H new ATOM 0 HD1 PHE A 199 -1.667 -1.232 -3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 199 -0.180 -1.138 -7.431 1.00 0.00 H new ATOM 0 HE1 PHE A 199 0.412 -0.197 -2.640 1.00 0.00 H new ATOM 0 HE2 PHE A 199 1.900 -0.103 -6.634 1.00 0.00 H new ATOM 0 HZ PHE A 199 2.202 0.366 -4.235 1.00 0.00 H new ATOM 721 N LEU A 200 -2.774 0.303 -8.041 1.00 0.00 N ATOM 722 CA LEU A 200 -2.328 1.465 -8.801 1.00 0.00 C ATOM 723 C LEU A 200 -3.431 2.515 -8.888 1.00 0.00 C ATOM 724 O LEU A 200 -3.160 3.703 -9.067 1.00 0.00 O ATOM 725 CB LEU A 200 -1.896 1.045 -10.207 1.00 0.00 C ATOM 726 CG LEU A 200 -0.815 -0.033 -10.283 1.00 0.00 C ATOM 727 CD1 LEU A 200 -0.979 -0.866 -11.545 1.00 0.00 C ATOM 728 CD2 LEU A 200 0.570 0.596 -10.233 1.00 0.00 C ATOM 0 H LEU A 200 -2.847 -0.555 -8.588 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.475 1.902 -8.281 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.775 0.688 -10.744 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -1.537 1.929 -10.734 1.00 0.00 H new ATOM 0 HG LEU A 200 -0.925 -0.691 -9.421 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -0.201 -1.628 -11.582 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -1.957 -1.347 -11.539 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -0.897 -0.221 -12.420 1.00 0.00 H new ATOM 0 HD21 LEU A 200 1.327 -0.186 -10.288 1.00 0.00 H new ATOM 0 HD22 LEU A 200 0.691 1.278 -11.075 1.00 0.00 H new ATOM 0 HD23 LEU A 200 0.686 1.148 -9.300 1.00 0.00 H new ATOM 740 N HIS A 201 -4.677 2.070 -8.758 1.00 0.00 N ATOM 741 CA HIS A 201 -5.822 2.971 -8.819 1.00 0.00 C ATOM 742 C HIS A 201 -6.042 3.661 -7.476 1.00 0.00 C ATOM 743 O HIS A 201 -6.765 4.654 -7.388 1.00 0.00 O ATOM 744 CB HIS A 201 -7.081 2.204 -9.224 1.00 0.00 C ATOM 745 CG HIS A 201 -7.245 2.062 -10.706 1.00 0.00 C ATOM 746 ND1 HIS A 201 -8.027 2.911 -11.461 1.00 0.00 N ATOM 747 CD2 HIS A 201 -6.721 1.165 -11.573 1.00 0.00 C ATOM 748 CE1 HIS A 201 -7.979 2.540 -12.728 1.00 0.00 C ATOM 749 NE2 HIS A 201 -7.192 1.483 -12.823 1.00 0.00 N ATOM 0 H HIS A 201 -4.919 1.090 -8.610 1.00 0.00 H new ATOM 0 HA HIS A 201 -5.614 3.733 -9.570 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -7.053 1.212 -8.773 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -7.954 2.714 -8.817 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -6.056 0.350 -11.327 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -8.495 3.019 -13.547 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -6.970 0.984 -13.685 1.00 0.00 H new ATOM 757 N LEU A 202 -5.414 3.129 -6.433 1.00 0.00 N ATOM 758 CA LEU A 202 -5.542 3.694 -5.094 1.00 0.00 C ATOM 759 C LEU A 202 -4.909 5.080 -5.024 1.00 0.00 C ATOM 760 O LEU A 202 -3.984 5.405 -5.770 1.00 0.00 O ATOM 761 CB LEU A 202 -4.887 2.770 -4.065 1.00 0.00 C ATOM 762 CG LEU A 202 -5.445 1.348 -3.990 1.00 0.00 C ATOM 763 CD1 LEU A 202 -4.573 0.479 -3.097 1.00 0.00 C ATOM 764 CD2 LEU A 202 -6.880 1.364 -3.484 1.00 0.00 C ATOM 0 H LEU A 202 -4.812 2.308 -6.489 1.00 0.00 H new ATOM 0 HA LEU A 202 -6.604 3.788 -4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -3.821 2.710 -4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -4.983 3.229 -3.081 1.00 0.00 H new ATOM 0 HG LEU A 202 -5.439 0.923 -4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -4.985 -0.529 -3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -3.562 0.441 -3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -4.546 0.901 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -7.261 0.344 -3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -6.910 1.809 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 202 -7.499 1.951 -4.163 1.00 0.00 H new ATOM 776 N PRO A 203 -5.415 5.916 -4.107 1.00 0.00 N ATOM 777 CA PRO A 203 -4.913 7.280 -3.916 1.00 0.00 C ATOM 778 C PRO A 203 -3.514 7.303 -3.307 1.00 0.00 C ATOM 779 O PRO A 203 -2.821 6.285 -3.282 1.00 0.00 O ATOM 780 CB PRO A 203 -5.926 7.900 -2.950 1.00 0.00 C ATOM 781 CG PRO A 203 -6.502 6.742 -2.211 1.00 0.00 C ATOM 782 CD PRO A 203 -6.517 5.595 -3.184 1.00 0.00 C ATOM 0 HA PRO A 203 -4.821 7.816 -4.861 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -5.446 8.604 -2.270 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -6.698 8.451 -3.486 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -5.902 6.501 -1.334 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -7.508 6.967 -1.857 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -6.356 4.641 -2.683 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -7.471 5.524 -3.706 1.00 0.00 H new ATOM 790 N HIS A 204 -3.106 8.469 -2.818 1.00 0.00 N ATOM 791 CA HIS A 204 -1.790 8.624 -2.208 1.00 0.00 C ATOM 792 C HIS A 204 -1.858 8.389 -0.702 1.00 0.00 C ATOM 793 O HIS A 204 -0.934 7.832 -0.109 1.00 0.00 O ATOM 794 CB HIS A 204 -1.232 10.018 -2.494 1.00 0.00 C ATOM 795 CG HIS A 204 -0.033 10.365 -1.667 1.00 0.00 C ATOM 796 ND1 HIS A 204 0.051 11.513 -0.907 1.00 0.00 N ATOM 797 CD2 HIS A 204 1.135 9.707 -1.481 1.00 0.00 C ATOM 798 CE1 HIS A 204 1.219 11.547 -0.291 1.00 0.00 C ATOM 799 NE2 HIS A 204 1.895 10.462 -0.622 1.00 0.00 N ATOM 0 H HIS A 204 -3.667 9.321 -2.832 1.00 0.00 H new ATOM 0 HA HIS A 204 -1.125 7.879 -2.645 1.00 0.00 H new ATOM 0 HB2 HIS A 204 -0.967 10.085 -3.549 1.00 0.00 H new ATOM 0 HB3 HIS A 204 -2.013 10.757 -2.314 1.00 0.00 H new ATOM 0 HD2 HIS A 204 1.417 8.764 -1.925 1.00 0.00 H new ATOM 0 HE1 HIS A 204 1.562 12.329 0.370 1.00 0.00 H new ATOM 0 HE2 HIS A 204 2.830 10.223 -0.293 1.00 0.00 H new ATOM 807 N ARG A 205 -2.957 8.817 -0.091 1.00 0.00 N ATOM 808 CA ARG A 205 -3.144 8.655 1.346 1.00 0.00 C ATOM 809 C ARG A 205 -3.086 7.182 1.739 1.00 0.00 C ATOM 810 O ARG A 205 -2.397 6.809 2.690 1.00 0.00 O ATOM 811 CB ARG A 205 -4.482 9.257 1.779 1.00 0.00 C ATOM 812 CG ARG A 205 -4.715 9.210 3.280 1.00 0.00 C ATOM 813 CD ARG A 205 -3.965 10.323 3.995 1.00 0.00 C ATOM 814 NE ARG A 205 -4.579 11.629 3.771 1.00 0.00 N ATOM 815 CZ ARG A 205 -4.241 12.725 4.440 1.00 0.00 C ATOM 816 NH1 ARG A 205 -3.298 12.672 5.372 1.00 0.00 N ATOM 817 NH2 ARG A 205 -4.845 13.877 4.179 1.00 0.00 N ATOM 0 H ARG A 205 -3.732 9.279 -0.568 1.00 0.00 H new ATOM 0 HA ARG A 205 -2.336 9.181 1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 205 -4.529 10.294 1.445 1.00 0.00 H new ATOM 0 HB3 ARG A 205 -5.290 8.724 1.278 1.00 0.00 H new ATOM 0 HG2 ARG A 205 -5.782 9.297 3.487 1.00 0.00 H new ATOM 0 HG3 ARG A 205 -4.393 8.244 3.669 1.00 0.00 H new ATOM 0 HD2 ARG A 205 -3.939 10.114 5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 205 -2.932 10.344 3.649 1.00 0.00 H new ATOM 0 HE ARG A 205 -5.308 11.703 3.061 1.00 0.00 H new ATOM 0 HH11 ARG A 205 -2.831 11.788 5.576 1.00 0.00 H new ATOM 0 HH12 ARG A 205 -3.040 13.515 5.885 1.00 0.00 H new ATOM 0 HH21 ARG A 205 -5.570 13.922 3.463 1.00 0.00 H new ATOM 0 HH22 ARG A 205 -4.584 14.718 4.694 1.00 0.00 H new ATOM 831 N LEU A 206 -3.813 6.349 1.003 1.00 0.00 N ATOM 832 CA LEU A 206 -3.844 4.916 1.274 1.00 0.00 C ATOM 833 C LEU A 206 -2.458 4.301 1.115 1.00 0.00 C ATOM 834 O LEU A 206 -1.908 3.731 2.058 1.00 0.00 O ATOM 835 CB LEU A 206 -4.833 4.221 0.337 1.00 0.00 C ATOM 836 CG LEU A 206 -6.288 4.178 0.808 1.00 0.00 C ATOM 837 CD1 LEU A 206 -6.449 3.188 1.951 1.00 0.00 C ATOM 838 CD2 LEU A 206 -6.753 5.564 1.231 1.00 0.00 C ATOM 0 H LEU A 206 -4.389 6.641 0.214 1.00 0.00 H new ATOM 0 HA LEU A 206 -4.168 4.774 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 206 -4.800 4.722 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 206 -4.493 3.198 0.177 1.00 0.00 H new ATOM 0 HG LEU A 206 -6.910 3.846 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 206 -7.490 3.171 2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 206 -6.157 2.193 1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 206 -5.816 3.490 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 206 -7.790 5.514 1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 206 -6.127 5.924 2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 206 -6.675 6.248 0.386 1.00 0.00 H new ATOM 850 N LEU A 207 -1.896 4.422 -0.083 1.00 0.00 N ATOM 851 CA LEU A 207 -0.572 3.880 -0.365 1.00 0.00 C ATOM 852 C LEU A 207 0.438 4.336 0.683 1.00 0.00 C ATOM 853 O LEU A 207 1.154 3.522 1.268 1.00 0.00 O ATOM 854 CB LEU A 207 -0.109 4.312 -1.758 1.00 0.00 C ATOM 855 CG LEU A 207 1.359 4.040 -2.092 1.00 0.00 C ATOM 856 CD1 LEU A 207 1.628 2.544 -2.134 1.00 0.00 C ATOM 857 CD2 LEU A 207 1.733 4.689 -3.416 1.00 0.00 C ATOM 0 H LEU A 207 -2.337 4.891 -0.874 1.00 0.00 H new ATOM 0 HA LEU A 207 -0.637 2.792 -0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 207 -0.729 3.806 -2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 207 -0.293 5.381 -1.865 1.00 0.00 H new ATOM 0 HG LEU A 207 1.978 4.477 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 207 2.677 2.370 -2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 207 1.399 2.106 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 207 1.001 2.083 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 207 2.781 4.485 -3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 207 1.108 4.281 -4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 207 1.579 5.766 -3.350 1.00 0.00 H new ATOM 869 N THR A 208 0.490 5.644 0.918 1.00 0.00 N ATOM 870 CA THR A 208 1.411 6.209 1.896 1.00 0.00 C ATOM 871 C THR A 208 1.301 5.488 3.235 1.00 0.00 C ATOM 872 O THR A 208 2.308 5.083 3.817 1.00 0.00 O ATOM 873 CB THR A 208 1.150 7.711 2.112 1.00 0.00 C ATOM 874 OG1 THR A 208 1.705 8.466 1.029 1.00 0.00 O ATOM 875 CG2 THR A 208 1.753 8.182 3.426 1.00 0.00 C ATOM 0 H THR A 208 -0.095 6.332 0.444 1.00 0.00 H new ATOM 0 HA THR A 208 2.416 6.077 1.496 1.00 0.00 H new ATOM 0 HB THR A 208 0.072 7.868 2.149 1.00 0.00 H new ATOM 0 HG1 THR A 208 1.316 9.365 1.024 1.00 0.00 H new ATOM 0 HG21 THR A 208 1.556 9.246 3.556 1.00 0.00 H new ATOM 0 HG22 THR A 208 1.307 7.627 4.251 1.00 0.00 H new ATOM 0 HG23 THR A 208 2.830 8.012 3.414 1.00 0.00 H new ATOM 883 N ASP A 209 0.074 5.331 3.718 1.00 0.00 N ATOM 884 CA ASP A 209 -0.168 4.657 4.988 1.00 0.00 C ATOM 885 C ASP A 209 0.457 3.266 4.993 1.00 0.00 C ATOM 886 O ASP A 209 1.192 2.908 5.914 1.00 0.00 O ATOM 887 CB ASP A 209 -1.670 4.556 5.259 1.00 0.00 C ATOM 888 CG ASP A 209 -2.202 5.751 6.025 1.00 0.00 C ATOM 889 OD1 ASP A 209 -2.399 6.816 5.402 1.00 0.00 O ATOM 890 OD2 ASP A 209 -2.421 5.622 7.248 1.00 0.00 O ATOM 0 H ASP A 209 -0.769 5.662 3.249 1.00 0.00 H new ATOM 0 HA ASP A 209 0.297 5.247 5.778 1.00 0.00 H new ATOM 0 HB2 ASP A 209 -2.202 4.469 4.312 1.00 0.00 H new ATOM 0 HB3 ASP A 209 -1.874 3.646 5.824 1.00 0.00 H new ATOM 895 N ILE A 210 0.160 2.486 3.959 1.00 0.00 N ATOM 896 CA ILE A 210 0.693 1.134 3.844 1.00 0.00 C ATOM 897 C ILE A 210 2.209 1.125 4.008 1.00 0.00 C ATOM 898 O ILE A 210 2.737 0.549 4.959 1.00 0.00 O ATOM 899 CB ILE A 210 0.331 0.500 2.488 1.00 0.00 C ATOM 900 CG1 ILE A 210 -1.161 0.167 2.438 1.00 0.00 C ATOM 901 CG2 ILE A 210 1.166 -0.749 2.248 1.00 0.00 C ATOM 902 CD1 ILE A 210 -1.716 0.085 1.033 1.00 0.00 C ATOM 0 H ILE A 210 -0.447 2.767 3.189 1.00 0.00 H new ATOM 0 HA ILE A 210 0.240 0.547 4.643 1.00 0.00 H new ATOM 0 HB ILE A 210 0.550 1.218 1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 210 -1.330 -0.784 2.942 1.00 0.00 H new ATOM 0 HG13 ILE A 210 -1.713 0.925 2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.899 -1.186 1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 210 2.223 -0.485 2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 210 0.975 -1.472 3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 210 -2.779 -0.155 1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -1.579 1.043 0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -1.190 -0.693 0.479 1.00 0.00 H new ATOM 914 N ILE A 211 2.904 1.769 3.076 1.00 0.00 N ATOM 915 CA ILE A 211 4.359 1.838 3.119 1.00 0.00 C ATOM 916 C ILE A 211 4.840 2.515 4.398 1.00 0.00 C ATOM 917 O ILE A 211 5.919 2.212 4.905 1.00 0.00 O ATOM 918 CB ILE A 211 4.923 2.599 1.905 1.00 0.00 C ATOM 919 CG1 ILE A 211 4.516 4.072 1.965 1.00 0.00 C ATOM 920 CG2 ILE A 211 4.440 1.963 0.610 1.00 0.00 C ATOM 921 CD1 ILE A 211 5.266 4.947 0.984 1.00 0.00 C ATOM 0 H ILE A 211 2.482 2.250 2.282 1.00 0.00 H new ATOM 0 HA ILE A 211 4.724 0.811 3.095 1.00 0.00 H new ATOM 0 HB ILE A 211 6.011 2.541 1.932 1.00 0.00 H new ATOM 0 HG12 ILE A 211 3.447 4.153 1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 211 4.684 4.446 2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 211 4.847 2.512 -0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 211 4.775 0.927 0.566 1.00 0.00 H new ATOM 0 HG23 ILE A 211 3.351 1.994 0.574 1.00 0.00 H new ATOM 0 HD11 ILE A 211 4.926 5.978 1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 211 6.334 4.896 1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 211 5.078 4.598 -0.032 1.00 0.00 H new ATOM 933 N SER A 212 4.030 3.434 4.915 1.00 0.00 N ATOM 934 CA SER A 212 4.373 4.156 6.134 1.00 0.00 C ATOM 935 C SER A 212 4.443 3.207 7.326 1.00 0.00 C ATOM 936 O SER A 212 5.194 3.438 8.274 1.00 0.00 O ATOM 937 CB SER A 212 3.347 5.259 6.404 1.00 0.00 C ATOM 938 OG SER A 212 3.591 5.887 7.651 1.00 0.00 O ATOM 0 H SER A 212 3.132 3.696 4.508 1.00 0.00 H new ATOM 0 HA SER A 212 5.355 4.609 5.995 1.00 0.00 H new ATOM 0 HB2 SER A 212 3.386 6.000 5.606 1.00 0.00 H new ATOM 0 HB3 SER A 212 2.343 4.836 6.397 1.00 0.00 H new ATOM 0 HG SER A 212 2.923 6.589 7.800 1.00 0.00 H new ATOM 944 N ASP A 213 3.654 2.140 7.272 1.00 0.00 N ATOM 945 CA ASP A 213 3.626 1.154 8.346 1.00 0.00 C ATOM 946 C ASP A 213 4.795 0.183 8.223 1.00 0.00 C ATOM 947 O ASP A 213 4.842 -0.838 8.908 1.00 0.00 O ATOM 948 CB ASP A 213 2.303 0.386 8.328 1.00 0.00 C ATOM 949 CG ASP A 213 1.951 -0.193 9.684 1.00 0.00 C ATOM 950 OD1 ASP A 213 2.874 -0.639 10.397 1.00 0.00 O ATOM 951 OD2 ASP A 213 0.752 -0.198 10.033 1.00 0.00 O ATOM 0 H ASP A 213 3.025 1.936 6.496 1.00 0.00 H new ATOM 0 HA ASP A 213 3.716 1.683 9.294 1.00 0.00 H new ATOM 0 HB2 ASP A 213 1.504 1.052 8.002 1.00 0.00 H new ATOM 0 HB3 ASP A 213 2.364 -0.420 7.597 1.00 0.00 H new ATOM 956 N GLY A 214 5.737 0.507 7.343 1.00 0.00 N ATOM 957 CA GLY A 214 6.893 -0.348 7.145 1.00 0.00 C ATOM 958 C GLY A 214 6.578 -1.561 6.292 1.00 0.00 C ATOM 959 O GLY A 214 5.568 -2.233 6.505 1.00 0.00 O ATOM 0 H GLY A 214 5.720 1.346 6.764 1.00 0.00 H new ATOM 0 HA2 GLY A 214 7.690 0.227 6.673 1.00 0.00 H new ATOM 0 HA3 GLY A 214 7.268 -0.677 8.114 1.00 0.00 H new ATOM 963 N VAL A 215 7.442 -1.842 5.322 1.00 0.00 N ATOM 964 CA VAL A 215 7.251 -2.982 4.433 1.00 0.00 C ATOM 965 C VAL A 215 8.459 -3.911 4.463 1.00 0.00 C ATOM 966 O VAL A 215 9.610 -3.473 4.477 1.00 0.00 O ATOM 967 CB VAL A 215 7.002 -2.527 2.983 1.00 0.00 C ATOM 968 CG1 VAL A 215 6.867 -3.730 2.062 1.00 0.00 C ATOM 969 CG2 VAL A 215 5.765 -1.645 2.906 1.00 0.00 C ATOM 0 H VAL A 215 8.282 -1.295 5.132 1.00 0.00 H new ATOM 0 HA VAL A 215 6.374 -3.520 4.792 1.00 0.00 H new ATOM 0 HB VAL A 215 7.859 -1.940 2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 215 6.691 -3.389 1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 215 7.784 -4.318 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 215 6.029 -4.346 2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 215 5.604 -1.333 1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 215 4.897 -2.204 3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 215 5.906 -0.765 3.534 1.00 0.00 H new ATOM 979 N PRO A 216 8.194 -5.226 4.473 1.00 0.00 N ATOM 980 CA PRO A 216 9.247 -6.245 4.500 1.00 0.00 C ATOM 981 C PRO A 216 10.023 -6.312 3.189 1.00 0.00 C ATOM 982 O PRO A 216 9.440 -6.494 2.120 1.00 0.00 O ATOM 983 CB PRO A 216 8.475 -7.546 4.731 1.00 0.00 C ATOM 984 CG PRO A 216 7.110 -7.276 4.200 1.00 0.00 C ATOM 985 CD PRO A 216 6.846 -5.818 4.458 1.00 0.00 C ATOM 0 HA PRO A 216 9.997 -6.036 5.263 1.00 0.00 H new ATOM 0 HB2 PRO A 216 8.944 -8.382 4.212 1.00 0.00 H new ATOM 0 HB3 PRO A 216 8.444 -7.805 5.789 1.00 0.00 H new ATOM 0 HG2 PRO A 216 7.054 -7.500 3.135 1.00 0.00 H new ATOM 0 HG3 PRO A 216 6.368 -7.901 4.696 1.00 0.00 H new ATOM 0 HD2 PRO A 216 6.222 -5.378 3.679 1.00 0.00 H new ATOM 0 HD3 PRO A 216 6.329 -5.664 5.405 1.00 0.00 H new ATOM 993 N CYS A 217 11.340 -6.163 3.279 1.00 0.00 N ATOM 994 CA CYS A 217 12.197 -6.206 2.099 1.00 0.00 C ATOM 995 C CYS A 217 11.743 -7.300 1.137 1.00 0.00 C ATOM 996 O CYS A 217 11.963 -7.210 -0.070 1.00 0.00 O ATOM 997 CB CYS A 217 13.652 -6.441 2.507 1.00 0.00 C ATOM 998 SG CYS A 217 13.911 -7.937 3.489 1.00 0.00 S ATOM 0 H CYS A 217 11.838 -6.011 4.156 1.00 0.00 H new ATOM 0 HA CYS A 217 12.121 -5.245 1.590 1.00 0.00 H new ATOM 0 HB2 CYS A 217 14.265 -6.499 1.608 1.00 0.00 H new ATOM 0 HB3 CYS A 217 14.002 -5.580 3.077 1.00 0.00 H new ATOM 0 HG CYS A 217 15.172 -8.050 3.783 1.00 0.00 H new ATOM 1004 N SER A 218 11.110 -8.334 1.682 1.00 0.00 N ATOM 1005 CA SER A 218 10.630 -9.449 0.873 1.00 0.00 C ATOM 1006 C SER A 218 9.781 -8.949 -0.291 1.00 0.00 C ATOM 1007 O SER A 218 10.083 -9.218 -1.453 1.00 0.00 O ATOM 1008 CB SER A 218 9.817 -10.418 1.734 1.00 0.00 C ATOM 1009 OG SER A 218 10.603 -10.948 2.787 1.00 0.00 O ATOM 0 H SER A 218 10.918 -8.423 2.680 1.00 0.00 H new ATOM 0 HA SER A 218 11.496 -9.973 0.469 1.00 0.00 H new ATOM 0 HB2 SER A 218 8.950 -9.902 2.147 1.00 0.00 H new ATOM 0 HB3 SER A 218 9.439 -11.231 1.114 1.00 0.00 H new ATOM 0 HG SER A 218 10.060 -11.563 3.323 1.00 0.00 H new ATOM 1015 N GLN A 219 8.717 -8.220 0.031 1.00 0.00 N ATOM 1016 CA GLN A 219 7.823 -7.683 -0.988 1.00 0.00 C ATOM 1017 C GLN A 219 8.372 -6.382 -1.564 1.00 0.00 C ATOM 1018 O GLN A 219 8.102 -5.300 -1.045 1.00 0.00 O ATOM 1019 CB GLN A 219 6.430 -7.447 -0.402 1.00 0.00 C ATOM 1020 CG GLN A 219 5.557 -8.692 -0.386 1.00 0.00 C ATOM 1021 CD GLN A 219 6.239 -9.874 0.276 1.00 0.00 C ATOM 1022 OE1 GLN A 219 6.517 -10.885 -0.368 1.00 0.00 O ATOM 1023 NE2 GLN A 219 6.511 -9.752 1.570 1.00 0.00 N ATOM 0 H GLN A 219 8.453 -7.988 0.989 1.00 0.00 H new ATOM 0 HA GLN A 219 7.752 -8.414 -1.793 1.00 0.00 H new ATOM 0 HB2 GLN A 219 6.532 -7.072 0.616 1.00 0.00 H new ATOM 0 HB3 GLN A 219 5.929 -6.670 -0.979 1.00 0.00 H new ATOM 0 HG2 GLN A 219 4.627 -8.473 0.139 1.00 0.00 H new ATOM 0 HG3 GLN A 219 5.290 -8.957 -1.409 1.00 0.00 H new ATOM 0 HE21 GLN A 219 6.263 -8.895 2.065 1.00 0.00 H new ATOM 0 HE22 GLN A 219 6.968 -10.515 2.069 1.00 0.00 H new ATOM 1032 N ASN A 220 9.145 -6.496 -2.639 1.00 0.00 N ATOM 1033 CA ASN A 220 9.734 -5.329 -3.284 1.00 0.00 C ATOM 1034 C ASN A 220 8.804 -4.123 -3.181 1.00 0.00 C ATOM 1035 O ASN A 220 7.881 -3.950 -3.976 1.00 0.00 O ATOM 1036 CB ASN A 220 10.035 -5.630 -4.754 1.00 0.00 C ATOM 1037 CG ASN A 220 11.103 -6.694 -4.919 1.00 0.00 C ATOM 1038 OD1 ASN A 220 12.298 -6.401 -4.878 1.00 0.00 O ATOM 1039 ND2 ASN A 220 10.675 -7.937 -5.107 1.00 0.00 N ATOM 0 H ASN A 220 9.378 -7.385 -3.082 1.00 0.00 H new ATOM 0 HA ASN A 220 10.666 -5.093 -2.770 1.00 0.00 H new ATOM 0 HB2 ASN A 220 9.121 -5.957 -5.250 1.00 0.00 H new ATOM 0 HB3 ASN A 220 10.358 -4.715 -5.251 1.00 0.00 H new ATOM 0 HD21 ASN A 220 11.347 -8.695 -5.225 1.00 0.00 H new ATOM 0 HD22 ASN A 220 9.674 -8.133 -5.134 1.00 0.00 H new ATOM 1046 N PRO A 221 9.053 -3.269 -2.177 1.00 0.00 N ATOM 1047 CA PRO A 221 8.251 -2.064 -1.946 1.00 0.00 C ATOM 1048 C PRO A 221 8.463 -1.010 -3.027 1.00 0.00 C ATOM 1049 O PRO A 221 7.504 -0.479 -3.589 1.00 0.00 O ATOM 1050 CB PRO A 221 8.758 -1.554 -0.595 1.00 0.00 C ATOM 1051 CG PRO A 221 10.146 -2.084 -0.486 1.00 0.00 C ATOM 1052 CD PRO A 221 10.138 -3.412 -1.192 1.00 0.00 C ATOM 0 HA PRO A 221 7.182 -2.277 -1.963 1.00 0.00 H new ATOM 0 HB2 PRO A 221 8.746 -0.465 -0.553 1.00 0.00 H new ATOM 0 HB3 PRO A 221 8.133 -1.911 0.223 1.00 0.00 H new ATOM 0 HG2 PRO A 221 10.861 -1.402 -0.945 1.00 0.00 H new ATOM 0 HG3 PRO A 221 10.439 -2.198 0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 221 11.094 -3.616 -1.674 1.00 0.00 H new ATOM 0 HD3 PRO A 221 9.948 -4.233 -0.501 1.00 0.00 H new ATOM 1060 N THR A 222 9.726 -0.710 -3.315 1.00 0.00 N ATOM 1061 CA THR A 222 10.064 0.281 -4.329 1.00 0.00 C ATOM 1062 C THR A 222 9.341 -0.004 -5.640 1.00 0.00 C ATOM 1063 O THR A 222 8.709 0.881 -6.216 1.00 0.00 O ATOM 1064 CB THR A 222 11.581 0.322 -4.591 1.00 0.00 C ATOM 1065 OG1 THR A 222 12.012 -0.915 -5.169 1.00 0.00 O ATOM 1066 CG2 THR A 222 12.346 0.579 -3.301 1.00 0.00 C ATOM 0 H THR A 222 10.532 -1.139 -2.860 1.00 0.00 H new ATOM 0 HA THR A 222 9.743 1.249 -3.944 1.00 0.00 H new ATOM 0 HB THR A 222 11.786 1.137 -5.285 1.00 0.00 H new ATOM 0 HG1 THR A 222 12.977 -0.880 -5.334 1.00 0.00 H new ATOM 0 HG21 THR A 222 13.415 0.604 -3.511 1.00 0.00 H new ATOM 0 HG22 THR A 222 12.037 1.535 -2.879 1.00 0.00 H new ATOM 0 HG23 THR A 222 12.135 -0.218 -2.588 1.00 0.00 H new ATOM 1074 N GLU A 223 9.437 -1.246 -6.106 1.00 0.00 N ATOM 1075 CA GLU A 223 8.791 -1.646 -7.350 1.00 0.00 C ATOM 1076 C GLU A 223 7.363 -1.112 -7.419 1.00 0.00 C ATOM 1077 O GLU A 223 6.968 -0.493 -8.406 1.00 0.00 O ATOM 1078 CB GLU A 223 8.784 -3.171 -7.479 1.00 0.00 C ATOM 1079 CG GLU A 223 10.107 -3.748 -7.953 1.00 0.00 C ATOM 1080 CD GLU A 223 10.621 -3.075 -9.210 1.00 0.00 C ATOM 1081 OE1 GLU A 223 10.269 -3.535 -10.316 1.00 0.00 O ATOM 1082 OE2 GLU A 223 11.374 -2.086 -9.088 1.00 0.00 O ATOM 0 H GLU A 223 9.955 -1.991 -5.641 1.00 0.00 H new ATOM 0 HA GLU A 223 9.359 -1.221 -8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 223 8.532 -3.608 -6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 223 7.999 -3.465 -8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 223 10.849 -3.644 -7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 223 9.987 -4.815 -8.140 1.00 0.00 H new ATOM 1089 N ALA A 224 6.595 -1.357 -6.362 1.00 0.00 N ATOM 1090 CA ALA A 224 5.212 -0.900 -6.301 1.00 0.00 C ATOM 1091 C ALA A 224 5.132 0.620 -6.393 1.00 0.00 C ATOM 1092 O ALA A 224 4.252 1.165 -7.059 1.00 0.00 O ATOM 1093 CB ALA A 224 4.551 -1.389 -5.021 1.00 0.00 C ATOM 0 H ALA A 224 6.907 -1.869 -5.537 1.00 0.00 H new ATOM 0 HA ALA A 224 4.679 -1.318 -7.155 1.00 0.00 H new ATOM 0 HB1 ALA A 224 3.519 -1.040 -4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 224 4.567 -2.479 -4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 224 5.093 -0.999 -4.160 1.00 0.00 H new ATOM 1099 N ILE A 225 6.055 1.298 -5.719 1.00 0.00 N ATOM 1100 CA ILE A 225 6.087 2.756 -5.725 1.00 0.00 C ATOM 1101 C ILE A 225 6.331 3.294 -7.131 1.00 0.00 C ATOM 1102 O ILE A 225 5.645 4.210 -7.583 1.00 0.00 O ATOM 1103 CB ILE A 225 7.178 3.299 -4.783 1.00 0.00 C ATOM 1104 CG1 ILE A 225 6.875 2.904 -3.336 1.00 0.00 C ATOM 1105 CG2 ILE A 225 7.287 4.810 -4.915 1.00 0.00 C ATOM 1106 CD1 ILE A 225 7.987 3.251 -2.371 1.00 0.00 C ATOM 0 H ILE A 225 6.790 0.862 -5.162 1.00 0.00 H new ATOM 0 HA ILE A 225 5.113 3.095 -5.373 1.00 0.00 H new ATOM 0 HB ILE A 225 8.135 2.860 -5.066 1.00 0.00 H new ATOM 0 HG12 ILE A 225 5.959 3.401 -3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 225 6.688 1.831 -3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 225 8.062 5.179 -4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 225 7.544 5.068 -5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 225 6.333 5.268 -4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 225 7.704 2.943 -1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 225 8.900 2.733 -2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 225 8.159 4.327 -2.386 1.00 0.00 H new ATOM 1118 N GLU A 226 7.313 2.717 -7.818 1.00 0.00 N ATOM 1119 CA GLU A 226 7.646 3.138 -9.173 1.00 0.00 C ATOM 1120 C GLU A 226 6.433 3.026 -10.092 1.00 0.00 C ATOM 1121 O GLU A 226 6.144 3.935 -10.870 1.00 0.00 O ATOM 1122 CB GLU A 226 8.798 2.294 -9.725 1.00 0.00 C ATOM 1123 CG GLU A 226 10.058 2.358 -8.879 1.00 0.00 C ATOM 1124 CD GLU A 226 11.318 2.128 -9.691 1.00 0.00 C ATOM 1125 OE1 GLU A 226 11.861 3.114 -10.233 1.00 0.00 O ATOM 1126 OE2 GLU A 226 11.760 0.964 -9.785 1.00 0.00 O ATOM 0 H GLU A 226 7.891 1.957 -7.458 1.00 0.00 H new ATOM 0 HA GLU A 226 7.956 4.182 -9.135 1.00 0.00 H new ATOM 0 HB2 GLU A 226 8.473 1.256 -9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 226 9.031 2.629 -10.736 1.00 0.00 H new ATOM 0 HG2 GLU A 226 10.116 3.332 -8.393 1.00 0.00 H new ATOM 0 HG3 GLU A 226 9.998 1.610 -8.088 1.00 0.00 H new ATOM 1133 N ALA A 227 5.728 1.903 -9.996 1.00 0.00 N ATOM 1134 CA ALA A 227 4.546 1.672 -10.817 1.00 0.00 C ATOM 1135 C ALA A 227 3.422 2.634 -10.445 1.00 0.00 C ATOM 1136 O ALA A 227 3.025 3.479 -11.247 1.00 0.00 O ATOM 1137 CB ALA A 227 4.078 0.231 -10.675 1.00 0.00 C ATOM 0 H ALA A 227 5.955 1.140 -9.358 1.00 0.00 H new ATOM 0 HA ALA A 227 4.816 1.854 -11.857 1.00 0.00 H new ATOM 0 HB1 ALA A 227 3.195 0.073 -11.294 1.00 0.00 H new ATOM 0 HB2 ALA A 227 4.872 -0.443 -10.997 1.00 0.00 H new ATOM 0 HB3 ALA A 227 3.832 0.029 -9.632 1.00 0.00 H new ATOM 1143 N TRP A 228 2.914 2.499 -9.226 1.00 0.00 N ATOM 1144 CA TRP A 228 1.835 3.356 -8.748 1.00 0.00 C ATOM 1145 C TRP A 228 2.123 4.820 -9.062 1.00 0.00 C ATOM 1146 O TRP A 228 1.206 5.634 -9.165 1.00 0.00 O ATOM 1147 CB TRP A 228 1.639 3.174 -7.242 1.00 0.00 C ATOM 1148 CG TRP A 228 0.511 3.989 -6.687 1.00 0.00 C ATOM 1149 CD1 TRP A 228 -0.728 3.538 -6.330 1.00 0.00 C ATOM 1150 CD2 TRP A 228 0.517 5.397 -6.427 1.00 0.00 C ATOM 1151 NE1 TRP A 228 -1.492 4.580 -5.864 1.00 0.00 N ATOM 1152 CE2 TRP A 228 -0.751 5.731 -5.913 1.00 0.00 C ATOM 1153 CE3 TRP A 228 1.471 6.407 -6.577 1.00 0.00 C ATOM 1154 CZ2 TRP A 228 -1.087 7.033 -5.550 1.00 0.00 C ATOM 1155 CZ3 TRP A 228 1.136 7.698 -6.217 1.00 0.00 C ATOM 1156 CH2 TRP A 228 -0.133 8.002 -5.707 1.00 0.00 C ATOM 0 H TRP A 228 3.232 1.804 -8.550 1.00 0.00 H new ATOM 0 HA TRP A 228 0.920 3.066 -9.264 1.00 0.00 H new ATOM 0 HB2 TRP A 228 1.454 2.121 -7.032 1.00 0.00 H new ATOM 0 HB3 TRP A 228 2.561 3.445 -6.728 1.00 0.00 H new ATOM 0 HD1 TRP A 228 -1.058 2.512 -6.403 1.00 0.00 H new ATOM 0 HE1 TRP A 228 -2.455 4.508 -5.535 1.00 0.00 H new ATOM 0 HE3 TRP A 228 2.453 6.182 -6.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 228 -2.065 7.270 -5.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 228 1.865 8.487 -6.331 1.00 0.00 H new ATOM 0 HH2 TRP A 228 -0.363 9.021 -5.432 1.00 0.00 H new ATOM 1167 N ILE A 229 3.402 5.147 -9.214 1.00 0.00 N ATOM 1168 CA ILE A 229 3.810 6.513 -9.518 1.00 0.00 C ATOM 1169 C ILE A 229 3.804 6.767 -11.022 1.00 0.00 C ATOM 1170 O ILE A 229 3.250 7.759 -11.492 1.00 0.00 O ATOM 1171 CB ILE A 229 5.213 6.819 -8.962 1.00 0.00 C ATOM 1172 CG1 ILE A 229 5.137 7.124 -7.465 1.00 0.00 C ATOM 1173 CG2 ILE A 229 5.838 7.984 -9.714 1.00 0.00 C ATOM 1174 CD1 ILE A 229 4.689 8.536 -7.157 1.00 0.00 C ATOM 0 H ILE A 229 4.173 4.485 -9.132 1.00 0.00 H new ATOM 0 HA ILE A 229 3.087 7.172 -9.038 1.00 0.00 H new ATOM 0 HB ILE A 229 5.843 5.941 -9.103 1.00 0.00 H new ATOM 0 HG12 ILE A 229 4.448 6.422 -6.994 1.00 0.00 H new ATOM 0 HG13 ILE A 229 6.117 6.957 -7.018 1.00 0.00 H new ATOM 0 HG21 ILE A 229 6.829 8.188 -9.310 1.00 0.00 H new ATOM 0 HG22 ILE A 229 5.922 7.731 -10.771 1.00 0.00 H new ATOM 0 HG23 ILE A 229 5.211 8.868 -9.601 1.00 0.00 H new ATOM 0 HD11 ILE A 229 4.658 8.681 -6.077 1.00 0.00 H new ATOM 0 HD12 ILE A 229 5.390 9.245 -7.598 1.00 0.00 H new ATOM 0 HD13 ILE A 229 3.695 8.702 -7.574 1.00 0.00 H new ATOM 1186 N ASN A 230 4.424 5.861 -11.771 1.00 0.00 N ATOM 1187 CA ASN A 230 4.490 5.986 -13.223 1.00 0.00 C ATOM 1188 C ASN A 230 3.112 6.284 -13.806 1.00 0.00 C ATOM 1189 O ASN A 230 2.990 6.982 -14.813 1.00 0.00 O ATOM 1190 CB ASN A 230 5.052 4.704 -13.841 1.00 0.00 C ATOM 1191 CG ASN A 230 6.561 4.618 -13.720 1.00 0.00 C ATOM 1192 OD1 ASN A 230 7.093 3.714 -13.074 1.00 0.00 O ATOM 1193 ND2 ASN A 230 7.260 5.560 -14.343 1.00 0.00 N ATOM 0 H ASN A 230 4.888 5.033 -11.397 1.00 0.00 H new ATOM 0 HA ASN A 230 5.153 6.817 -13.462 1.00 0.00 H new ATOM 0 HB2 ASN A 230 4.601 3.840 -13.352 1.00 0.00 H new ATOM 0 HB3 ASN A 230 4.771 4.658 -14.893 1.00 0.00 H new ATOM 0 HD21 ASN A 230 8.279 5.553 -14.297 1.00 0.00 H new ATOM 0 HD22 ASN A 230 6.778 6.290 -14.867 1.00 0.00 H new ATOM 1200 N PHE A 231 2.077 5.750 -13.166 1.00 0.00 N ATOM 1201 CA PHE A 231 0.707 5.957 -13.621 1.00 0.00 C ATOM 1202 C PHE A 231 0.507 7.389 -14.108 1.00 0.00 C ATOM 1203 O PHE A 231 0.161 7.620 -15.265 1.00 0.00 O ATOM 1204 CB PHE A 231 -0.280 5.646 -12.494 1.00 0.00 C ATOM 1205 CG PHE A 231 -1.657 5.299 -12.982 1.00 0.00 C ATOM 1206 CD1 PHE A 231 -2.575 6.295 -13.274 1.00 0.00 C ATOM 1207 CD2 PHE A 231 -2.034 3.976 -13.149 1.00 0.00 C ATOM 1208 CE1 PHE A 231 -3.843 5.979 -13.723 1.00 0.00 C ATOM 1209 CE2 PHE A 231 -3.301 3.654 -13.598 1.00 0.00 C ATOM 1210 CZ PHE A 231 -4.207 4.657 -13.885 1.00 0.00 C ATOM 0 H PHE A 231 2.161 5.171 -12.331 1.00 0.00 H new ATOM 0 HA PHE A 231 0.521 5.279 -14.454 1.00 0.00 H new ATOM 0 HB2 PHE A 231 0.107 4.817 -11.902 1.00 0.00 H new ATOM 0 HB3 PHE A 231 -0.345 6.508 -11.830 1.00 0.00 H new ATOM 0 HD1 PHE A 231 -2.296 7.331 -13.149 1.00 0.00 H new ATOM 0 HD2 PHE A 231 -1.330 3.188 -12.926 1.00 0.00 H new ATOM 0 HE1 PHE A 231 -4.549 6.765 -13.947 1.00 0.00 H new ATOM 0 HE2 PHE A 231 -3.583 2.619 -13.724 1.00 0.00 H new ATOM 0 HZ PHE A 231 -5.198 4.407 -14.235 1.00 0.00 H new ATOM 1220 N ASN A 232 0.726 8.348 -13.213 1.00 0.00 N ATOM 1221 CA ASN A 232 0.569 9.758 -13.550 1.00 0.00 C ATOM 1222 C ASN A 232 1.809 10.554 -13.154 1.00 0.00 C ATOM 1223 O ASN A 232 1.711 11.693 -12.698 1.00 0.00 O ATOM 1224 CB ASN A 232 -0.665 10.336 -12.854 1.00 0.00 C ATOM 1225 CG ASN A 232 -1.246 11.522 -13.597 1.00 0.00 C ATOM 1226 OD1 ASN A 232 -1.668 11.402 -14.748 1.00 0.00 O ATOM 1227 ND2 ASN A 232 -1.271 12.677 -12.942 1.00 0.00 N ATOM 0 H ASN A 232 1.012 8.174 -12.250 1.00 0.00 H new ATOM 0 HA ASN A 232 0.439 9.835 -14.629 1.00 0.00 H new ATOM 0 HB2 ASN A 232 -1.425 9.560 -12.764 1.00 0.00 H new ATOM 0 HB3 ASN A 232 -0.399 10.640 -11.842 1.00 0.00 H new ATOM 0 HD21 ASN A 232 -1.651 13.510 -13.392 1.00 0.00 H new ATOM 0 HD22 ASN A 232 -0.911 12.731 -11.989 1.00 0.00 H new ATOM 1234 N LYS A 233 2.977 9.946 -13.333 1.00 0.00 N ATOM 1235 CA LYS A 233 4.238 10.596 -12.996 1.00 0.00 C ATOM 1236 C LYS A 233 4.186 12.085 -13.323 1.00 0.00 C ATOM 1237 O LYS A 233 4.807 12.901 -12.642 1.00 0.00 O ATOM 1238 CB LYS A 233 5.393 9.937 -13.753 1.00 0.00 C ATOM 1239 CG LYS A 233 6.765 10.343 -13.243 1.00 0.00 C ATOM 1240 CD LYS A 233 7.201 9.482 -12.069 1.00 0.00 C ATOM 1241 CE LYS A 233 8.657 9.728 -11.707 1.00 0.00 C ATOM 1242 NZ LYS A 233 9.024 9.089 -10.413 1.00 0.00 N ATOM 0 H LYS A 233 3.076 9.003 -13.710 1.00 0.00 H new ATOM 0 HA LYS A 233 4.402 10.482 -11.924 1.00 0.00 H new ATOM 0 HB2 LYS A 233 5.293 8.854 -13.680 1.00 0.00 H new ATOM 0 HB3 LYS A 233 5.317 10.193 -14.810 1.00 0.00 H new ATOM 0 HG2 LYS A 233 7.494 10.257 -14.049 1.00 0.00 H new ATOM 0 HG3 LYS A 233 6.747 11.390 -12.940 1.00 0.00 H new ATOM 0 HD2 LYS A 233 6.570 9.695 -11.206 1.00 0.00 H new ATOM 0 HD3 LYS A 233 7.059 8.430 -12.316 1.00 0.00 H new ATOM 0 HE2 LYS A 233 9.298 9.340 -12.498 1.00 0.00 H new ATOM 0 HE3 LYS A 233 8.840 10.801 -11.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 233 10.059 9.027 -10.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 233 8.654 9.660 -9.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 233 8.616 8.134 -10.369 1.00 0.00 H new ATOM 1256 N GLU A 234 3.442 12.431 -14.369 1.00 0.00 N ATOM 1257 CA GLU A 234 3.309 13.823 -14.784 1.00 0.00 C ATOM 1258 C GLU A 234 3.315 14.754 -13.575 1.00 0.00 C ATOM 1259 O GLU A 234 3.911 15.830 -13.611 1.00 0.00 O ATOM 1260 CB GLU A 234 2.021 14.018 -15.587 1.00 0.00 C ATOM 1261 CG GLU A 234 0.818 13.310 -14.988 1.00 0.00 C ATOM 1262 CD GLU A 234 -0.365 13.268 -15.936 1.00 0.00 C ATOM 1263 OE1 GLU A 234 -0.349 12.437 -16.869 1.00 0.00 O ATOM 1264 OE2 GLU A 234 -1.307 14.065 -15.745 1.00 0.00 O ATOM 0 H GLU A 234 2.923 11.768 -14.944 1.00 0.00 H new ATOM 0 HA GLU A 234 4.162 14.071 -15.415 1.00 0.00 H new ATOM 0 HB2 GLU A 234 1.806 15.084 -15.659 1.00 0.00 H new ATOM 0 HB3 GLU A 234 2.177 13.655 -16.603 1.00 0.00 H new ATOM 0 HG2 GLU A 234 1.098 12.292 -14.717 1.00 0.00 H new ATOM 0 HG3 GLU A 234 0.524 13.816 -14.068 1.00 0.00 H new ATOM 1271 N GLU A 235 2.645 14.332 -12.507 1.00 0.00 N ATOM 1272 CA GLU A 235 2.572 15.129 -11.289 1.00 0.00 C ATOM 1273 C GLU A 235 2.968 14.299 -10.071 1.00 0.00 C ATOM 1274 O GLU A 235 3.674 14.778 -9.183 1.00 0.00 O ATOM 1275 CB GLU A 235 1.159 15.686 -11.101 1.00 0.00 C ATOM 1276 CG GLU A 235 1.105 16.927 -10.225 1.00 0.00 C ATOM 1277 CD GLU A 235 -0.222 17.075 -9.506 1.00 0.00 C ATOM 1278 OE1 GLU A 235 -0.567 16.178 -8.708 1.00 0.00 O ATOM 1279 OE2 GLU A 235 -0.914 18.088 -9.740 1.00 0.00 O ATOM 0 H GLU A 235 2.146 13.444 -12.461 1.00 0.00 H new ATOM 0 HA GLU A 235 3.272 15.958 -11.386 1.00 0.00 H new ATOM 0 HB2 GLU A 235 0.738 15.923 -12.078 1.00 0.00 H new ATOM 0 HB3 GLU A 235 0.529 14.913 -10.661 1.00 0.00 H new ATOM 0 HG2 GLU A 235 1.909 16.884 -9.491 1.00 0.00 H new ATOM 0 HG3 GLU A 235 1.281 17.809 -10.840 1.00 0.00 H new ATOM 1286 N ARG A 236 2.508 13.053 -10.037 1.00 0.00 N ATOM 1287 CA ARG A 236 2.813 12.157 -8.928 1.00 0.00 C ATOM 1288 C ARG A 236 4.307 12.163 -8.619 1.00 0.00 C ATOM 1289 O ARG A 236 4.722 11.828 -7.510 1.00 0.00 O ATOM 1290 CB ARG A 236 2.355 10.734 -9.254 1.00 0.00 C ATOM 1291 CG ARG A 236 0.850 10.541 -9.153 1.00 0.00 C ATOM 1292 CD ARG A 236 0.485 9.070 -9.031 1.00 0.00 C ATOM 1293 NE ARG A 236 -0.847 8.882 -8.461 1.00 0.00 N ATOM 1294 CZ ARG A 236 -1.571 7.781 -8.631 1.00 0.00 C ATOM 1295 NH1 ARG A 236 -1.094 6.775 -9.351 1.00 0.00 N ATOM 1296 NH2 ARG A 236 -2.774 7.685 -8.080 1.00 0.00 N ATOM 0 H ARG A 236 1.923 12.641 -10.764 1.00 0.00 H new ATOM 0 HA ARG A 236 2.276 12.512 -8.048 1.00 0.00 H new ATOM 0 HB2 ARG A 236 2.679 10.479 -10.263 1.00 0.00 H new ATOM 0 HB3 ARG A 236 2.849 10.038 -8.576 1.00 0.00 H new ATOM 0 HG2 ARG A 236 0.469 11.085 -8.288 1.00 0.00 H new ATOM 0 HG3 ARG A 236 0.368 10.965 -10.034 1.00 0.00 H new ATOM 0 HD2 ARG A 236 0.527 8.603 -10.015 1.00 0.00 H new ATOM 0 HD3 ARG A 236 1.221 8.564 -8.406 1.00 0.00 H new ATOM 0 HE ARG A 236 -1.243 9.638 -7.902 1.00 0.00 H new ATOM 0 HH11 ARG A 236 -0.169 6.845 -9.776 1.00 0.00 H new ATOM 0 HH12 ARG A 236 -1.652 5.931 -9.480 1.00 0.00 H new ATOM 0 HH21 ARG A 236 -3.144 8.457 -7.525 1.00 0.00 H new ATOM 0 HH22 ARG A 236 -3.329 6.839 -8.211 1.00 0.00 H new ATOM 1310 N GLU A 237 5.110 12.544 -9.608 1.00 0.00 N ATOM 1311 CA GLU A 237 6.557 12.592 -9.441 1.00 0.00 C ATOM 1312 C GLU A 237 6.928 13.054 -8.034 1.00 0.00 C ATOM 1313 O GLU A 237 7.659 12.371 -7.318 1.00 0.00 O ATOM 1314 CB GLU A 237 7.182 13.528 -10.478 1.00 0.00 C ATOM 1315 CG GLU A 237 8.527 14.094 -10.055 1.00 0.00 C ATOM 1316 CD GLU A 237 9.390 14.492 -11.236 1.00 0.00 C ATOM 1317 OE1 GLU A 237 9.249 15.635 -11.717 1.00 0.00 O ATOM 1318 OE2 GLU A 237 10.208 13.658 -11.680 1.00 0.00 O ATOM 0 H GLU A 237 4.782 12.824 -10.533 1.00 0.00 H new ATOM 0 HA GLU A 237 6.947 11.585 -9.589 1.00 0.00 H new ATOM 0 HB2 GLU A 237 7.304 12.987 -11.416 1.00 0.00 H new ATOM 0 HB3 GLU A 237 6.495 14.352 -10.672 1.00 0.00 H new ATOM 0 HG2 GLU A 237 8.367 14.964 -9.418 1.00 0.00 H new ATOM 0 HG3 GLU A 237 9.057 13.353 -9.456 1.00 0.00 H new ATOM 1325 N ALA A 238 6.418 14.218 -7.646 1.00 0.00 N ATOM 1326 CA ALA A 238 6.693 14.771 -6.326 1.00 0.00 C ATOM 1327 C ALA A 238 6.486 13.723 -5.238 1.00 0.00 C ATOM 1328 O ALA A 238 7.317 13.572 -4.341 1.00 0.00 O ATOM 1329 CB ALA A 238 5.811 15.984 -6.067 1.00 0.00 C ATOM 0 H ALA A 238 5.812 14.797 -8.228 1.00 0.00 H new ATOM 0 HA ALA A 238 7.737 15.083 -6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 238 6.027 16.387 -5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 238 6.010 16.746 -6.820 1.00 0.00 H new ATOM 0 HB3 ALA A 238 4.763 15.689 -6.118 1.00 0.00 H new ATOM 1335 N PHE A 239 5.374 13.000 -5.322 1.00 0.00 N ATOM 1336 CA PHE A 239 5.058 11.967 -4.343 1.00 0.00 C ATOM 1337 C PHE A 239 6.062 10.820 -4.419 1.00 0.00 C ATOM 1338 O PHE A 239 6.366 10.180 -3.413 1.00 0.00 O ATOM 1339 CB PHE A 239 3.641 11.435 -4.571 1.00 0.00 C ATOM 1340 CG PHE A 239 2.566 12.378 -4.114 1.00 0.00 C ATOM 1341 CD1 PHE A 239 2.628 12.964 -2.860 1.00 0.00 C ATOM 1342 CD2 PHE A 239 1.494 12.679 -4.938 1.00 0.00 C ATOM 1343 CE1 PHE A 239 1.639 13.832 -2.436 1.00 0.00 C ATOM 1344 CE2 PHE A 239 0.502 13.547 -4.519 1.00 0.00 C ATOM 1345 CZ PHE A 239 0.576 14.124 -3.267 1.00 0.00 C ATOM 0 H PHE A 239 4.677 13.111 -6.058 1.00 0.00 H new ATOM 0 HA PHE A 239 5.116 12.413 -3.350 1.00 0.00 H new ATOM 0 HB2 PHE A 239 3.505 11.229 -5.633 1.00 0.00 H new ATOM 0 HB3 PHE A 239 3.529 10.487 -4.046 1.00 0.00 H new ATOM 0 HD1 PHE A 239 3.458 12.740 -2.206 1.00 0.00 H new ATOM 0 HD2 PHE A 239 1.432 12.231 -5.919 1.00 0.00 H new ATOM 0 HE1 PHE A 239 1.698 14.281 -1.456 1.00 0.00 H new ATOM 0 HE2 PHE A 239 -0.329 13.773 -5.170 1.00 0.00 H new ATOM 0 HZ PHE A 239 -0.197 14.803 -2.938 1.00 0.00 H new ATOM 1355 N ALA A 240 6.573 10.567 -5.620 1.00 0.00 N ATOM 1356 CA ALA A 240 7.543 9.499 -5.827 1.00 0.00 C ATOM 1357 C ALA A 240 8.802 9.734 -5.000 1.00 0.00 C ATOM 1358 O ALA A 240 9.227 8.864 -4.240 1.00 0.00 O ATOM 1359 CB ALA A 240 7.893 9.384 -7.304 1.00 0.00 C ATOM 0 H ALA A 240 6.331 11.087 -6.464 1.00 0.00 H new ATOM 0 HA ALA A 240 7.093 8.563 -5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 240 8.618 8.583 -7.445 1.00 0.00 H new ATOM 0 HB2 ALA A 240 6.992 9.162 -7.875 1.00 0.00 H new ATOM 0 HB3 ALA A 240 8.320 10.325 -7.651 1.00 0.00 H new ATOM 1365 N GLU A 241 9.395 10.914 -5.155 1.00 0.00 N ATOM 1366 CA GLU A 241 10.608 11.260 -4.422 1.00 0.00 C ATOM 1367 C GLU A 241 10.357 11.245 -2.917 1.00 0.00 C ATOM 1368 O GLU A 241 11.078 10.591 -2.163 1.00 0.00 O ATOM 1369 CB GLU A 241 11.113 12.639 -4.852 1.00 0.00 C ATOM 1370 CG GLU A 241 11.890 12.622 -6.158 1.00 0.00 C ATOM 1371 CD GLU A 241 11.883 13.967 -6.858 1.00 0.00 C ATOM 1372 OE1 GLU A 241 12.332 14.958 -6.246 1.00 0.00 O ATOM 1373 OE2 GLU A 241 11.428 14.028 -8.020 1.00 0.00 O ATOM 0 H GLU A 241 9.056 11.645 -5.780 1.00 0.00 H new ATOM 0 HA GLU A 241 11.368 10.514 -4.653 1.00 0.00 H new ATOM 0 HB2 GLU A 241 10.262 13.313 -4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 241 11.749 13.045 -4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 241 12.920 12.325 -5.960 1.00 0.00 H new ATOM 0 HG3 GLU A 241 11.463 11.869 -6.821 1.00 0.00 H new ATOM 1380 N SER A 242 9.330 11.972 -2.487 1.00 0.00 N ATOM 1381 CA SER A 242 8.986 12.046 -1.072 1.00 0.00 C ATOM 1382 C SER A 242 8.689 10.658 -0.511 1.00 0.00 C ATOM 1383 O SER A 242 9.094 10.326 0.604 1.00 0.00 O ATOM 1384 CB SER A 242 7.778 12.961 -0.866 1.00 0.00 C ATOM 1385 OG SER A 242 7.756 13.489 0.449 1.00 0.00 O ATOM 0 H SER A 242 8.722 12.518 -3.098 1.00 0.00 H new ATOM 0 HA SER A 242 9.841 12.459 -0.537 1.00 0.00 H new ATOM 0 HB2 SER A 242 7.809 13.777 -1.588 1.00 0.00 H new ATOM 0 HB3 SER A 242 6.860 12.404 -1.053 1.00 0.00 H new ATOM 0 HG SER A 242 6.975 14.072 0.554 1.00 0.00 H new ATOM 1391 N LEU A 243 7.979 9.852 -1.292 1.00 0.00 N ATOM 1392 CA LEU A 243 7.626 8.499 -0.876 1.00 0.00 C ATOM 1393 C LEU A 243 8.871 7.628 -0.742 1.00 0.00 C ATOM 1394 O LEU A 243 8.961 6.790 0.155 1.00 0.00 O ATOM 1395 CB LEU A 243 6.656 7.872 -1.878 1.00 0.00 C ATOM 1396 CG LEU A 243 5.190 8.287 -1.744 1.00 0.00 C ATOM 1397 CD1 LEU A 243 4.368 7.722 -2.892 1.00 0.00 C ATOM 1398 CD2 LEU A 243 4.627 7.829 -0.406 1.00 0.00 C ATOM 0 H LEU A 243 7.636 10.112 -2.217 1.00 0.00 H new ATOM 0 HA LEU A 243 7.142 8.560 0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 243 6.993 8.122 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 243 6.716 6.788 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 243 5.135 9.375 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 243 3.328 8.028 -2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 243 4.757 8.099 -3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 243 4.429 6.634 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 243 3.583 8.133 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 243 4.696 6.743 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 243 5.199 8.283 0.404 1.00 0.00 H new ATOM 1410 N ARG A 244 9.830 7.834 -1.640 1.00 0.00 N ATOM 1411 CA ARG A 244 11.070 7.068 -1.622 1.00 0.00 C ATOM 1412 C ARG A 244 11.827 7.290 -0.315 1.00 0.00 C ATOM 1413 O ARG A 244 12.223 6.336 0.356 1.00 0.00 O ATOM 1414 CB ARG A 244 11.953 7.460 -2.808 1.00 0.00 C ATOM 1415 CG ARG A 244 11.561 6.780 -4.110 1.00 0.00 C ATOM 1416 CD ARG A 244 12.508 7.152 -5.240 1.00 0.00 C ATOM 1417 NE ARG A 244 11.842 7.137 -6.539 1.00 0.00 N ATOM 1418 CZ ARG A 244 11.392 6.031 -7.122 1.00 0.00 C ATOM 1419 NH1 ARG A 244 11.536 4.857 -6.523 1.00 0.00 N ATOM 1420 NH2 ARG A 244 10.797 6.099 -8.306 1.00 0.00 N ATOM 0 H ARG A 244 9.771 8.525 -2.388 1.00 0.00 H new ATOM 0 HA ARG A 244 10.816 6.011 -1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 244 11.906 8.540 -2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 244 12.989 7.213 -2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 244 11.564 5.699 -3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 244 10.543 7.064 -4.378 1.00 0.00 H new ATOM 0 HD2 ARG A 244 12.921 8.144 -5.056 1.00 0.00 H new ATOM 0 HD3 ARG A 244 13.346 6.456 -5.254 1.00 0.00 H new ATOM 0 HE ARG A 244 11.715 8.024 -7.026 1.00 0.00 H new ATOM 0 HH11 ARG A 244 11.993 4.802 -5.613 1.00 0.00 H new ATOM 0 HH12 ARG A 244 11.190 4.009 -6.972 1.00 0.00 H new ATOM 0 HH21 ARG A 244 10.685 7.001 -8.769 1.00 0.00 H new ATOM 0 HH22 ARG A 244 10.452 5.250 -8.753 1.00 0.00 H new ATOM 1434 N THR A 245 12.026 8.555 0.040 1.00 0.00 N ATOM 1435 CA THR A 245 12.736 8.903 1.265 1.00 0.00 C ATOM 1436 C THR A 245 11.978 8.419 2.496 1.00 0.00 C ATOM 1437 O THR A 245 12.582 8.060 3.507 1.00 0.00 O ATOM 1438 CB THR A 245 12.955 10.424 1.375 1.00 0.00 C ATOM 1439 OG1 THR A 245 13.512 10.747 2.653 1.00 0.00 O ATOM 1440 CG2 THR A 245 11.646 11.174 1.182 1.00 0.00 C ATOM 0 H THR A 245 11.705 9.356 -0.504 1.00 0.00 H new ATOM 0 HA THR A 245 13.705 8.407 1.220 1.00 0.00 H new ATOM 0 HB THR A 245 13.648 10.727 0.590 1.00 0.00 H new ATOM 0 HG1 THR A 245 13.650 11.715 2.715 1.00 0.00 H new ATOM 0 HG21 THR A 245 11.825 12.246 1.264 1.00 0.00 H new ATOM 0 HG22 THR A 245 11.239 10.948 0.196 1.00 0.00 H new ATOM 0 HG23 THR A 245 10.934 10.866 1.947 1.00 0.00 H new ATOM 1448 N SER A 246 10.652 8.412 2.404 1.00 0.00 N ATOM 1449 CA SER A 246 9.812 7.975 3.513 1.00 0.00 C ATOM 1450 C SER A 246 9.792 6.453 3.612 1.00 0.00 C ATOM 1451 O SER A 246 9.699 5.891 4.704 1.00 0.00 O ATOM 1452 CB SER A 246 8.387 8.505 3.340 1.00 0.00 C ATOM 1453 OG SER A 246 8.389 9.900 3.090 1.00 0.00 O ATOM 0 H SER A 246 10.137 8.704 1.574 1.00 0.00 H new ATOM 0 HA SER A 246 10.232 8.376 4.435 1.00 0.00 H new ATOM 0 HB2 SER A 246 7.900 7.985 2.515 1.00 0.00 H new ATOM 0 HB3 SER A 246 7.806 8.294 4.237 1.00 0.00 H new ATOM 0 HG SER A 246 8.464 10.059 2.126 1.00 0.00 H new ATOM 1459 N LEU A 247 9.878 5.790 2.464 1.00 0.00 N ATOM 1460 CA LEU A 247 9.870 4.332 2.419 1.00 0.00 C ATOM 1461 C LEU A 247 10.667 3.747 3.581 1.00 0.00 C ATOM 1462 O LEU A 247 11.740 4.243 3.925 1.00 0.00 O ATOM 1463 CB LEU A 247 10.448 3.840 1.091 1.00 0.00 C ATOM 1464 CG LEU A 247 10.418 2.328 0.866 1.00 0.00 C ATOM 1465 CD1 LEU A 247 10.549 2.006 -0.615 1.00 0.00 C ATOM 1466 CD2 LEU A 247 11.522 1.647 1.661 1.00 0.00 C ATOM 0 H LEU A 247 9.954 6.239 1.551 1.00 0.00 H new ATOM 0 HA LEU A 247 8.837 3.996 2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 247 9.900 4.319 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 247 11.482 4.177 1.020 1.00 0.00 H new ATOM 0 HG LEU A 247 9.459 1.948 1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 247 10.526 0.925 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 247 9.722 2.461 -1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 247 11.493 2.401 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 247 11.485 0.571 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 247 12.491 2.032 1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 247 11.383 1.849 2.723 1.00 0.00 H new ATOM 1478 N LYS A 248 10.135 2.688 4.182 1.00 0.00 N ATOM 1479 CA LYS A 248 10.797 2.032 5.304 1.00 0.00 C ATOM 1480 C LYS A 248 10.905 0.529 5.068 1.00 0.00 C ATOM 1481 O LYS A 248 10.010 -0.083 4.486 1.00 0.00 O ATOM 1482 CB LYS A 248 10.033 2.302 6.602 1.00 0.00 C ATOM 1483 CG LYS A 248 10.496 3.550 7.332 1.00 0.00 C ATOM 1484 CD LYS A 248 11.621 3.242 8.306 1.00 0.00 C ATOM 1485 CE LYS A 248 12.979 3.304 7.625 1.00 0.00 C ATOM 1486 NZ LYS A 248 14.096 3.225 8.608 1.00 0.00 N ATOM 0 H LYS A 248 9.247 2.265 3.911 1.00 0.00 H new ATOM 0 HA LYS A 248 11.803 2.442 5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 248 8.971 2.397 6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 248 10.142 1.443 7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 248 10.833 4.292 6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 248 9.657 3.989 7.871 1.00 0.00 H new ATOM 0 HD2 LYS A 248 11.594 3.953 9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 248 11.472 2.251 8.734 1.00 0.00 H new ATOM 0 HE2 LYS A 248 13.065 2.485 6.911 1.00 0.00 H new ATOM 0 HE3 LYS A 248 13.059 4.231 7.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 248 15.005 3.270 8.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 248 14.029 4.021 9.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 248 14.035 2.329 9.132 1.00 0.00 H new ATOM 1500 N GLU A 249 12.006 -0.059 5.524 1.00 0.00 N ATOM 1501 CA GLU A 249 12.230 -1.491 5.363 1.00 0.00 C ATOM 1502 C GLU A 249 12.400 -2.172 6.718 1.00 0.00 C ATOM 1503 O GLU A 249 12.989 -1.605 7.639 1.00 0.00 O ATOM 1504 CB GLU A 249 13.464 -1.742 4.494 1.00 0.00 C ATOM 1505 CG GLU A 249 13.236 -1.466 3.018 1.00 0.00 C ATOM 1506 CD GLU A 249 14.521 -1.147 2.279 1.00 0.00 C ATOM 1507 OE1 GLU A 249 15.071 -0.046 2.492 1.00 0.00 O ATOM 1508 OE2 GLU A 249 14.977 -1.999 1.488 1.00 0.00 O ATOM 0 H GLU A 249 12.757 0.434 6.008 1.00 0.00 H new ATOM 0 HA GLU A 249 11.355 -1.916 4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 249 14.282 -1.116 4.850 1.00 0.00 H new ATOM 0 HB3 GLU A 249 13.779 -2.778 4.617 1.00 0.00 H new ATOM 0 HG2 GLU A 249 12.763 -2.334 2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 249 12.543 -0.632 2.911 1.00 0.00 H new ATOM 1515 N ILE A 250 11.881 -3.389 6.831 1.00 0.00 N ATOM 1516 CA ILE A 250 11.976 -4.147 8.073 1.00 0.00 C ATOM 1517 C ILE A 250 12.627 -5.506 7.839 1.00 0.00 C ATOM 1518 O ILE A 250 13.005 -5.840 6.717 1.00 0.00 O ATOM 1519 CB ILE A 250 10.591 -4.357 8.712 1.00 0.00 C ATOM 1520 CG1 ILE A 250 9.587 -4.834 7.660 1.00 0.00 C ATOM 1521 CG2 ILE A 250 10.109 -3.072 9.367 1.00 0.00 C ATOM 1522 CD1 ILE A 250 8.174 -4.958 8.186 1.00 0.00 C ATOM 0 H ILE A 250 11.390 -3.872 6.078 1.00 0.00 H new ATOM 0 HA ILE A 250 12.595 -3.562 8.753 1.00 0.00 H new ATOM 0 HB ILE A 250 10.675 -5.124 9.482 1.00 0.00 H new ATOM 0 HG12 ILE A 250 9.594 -4.138 6.821 1.00 0.00 H new ATOM 0 HG13 ILE A 250 9.909 -5.801 7.275 1.00 0.00 H new ATOM 0 HG21 ILE A 250 9.129 -3.237 9.814 1.00 0.00 H new ATOM 0 HG22 ILE A 250 10.815 -2.771 10.141 1.00 0.00 H new ATOM 0 HG23 ILE A 250 10.037 -2.285 8.616 1.00 0.00 H new ATOM 0 HD11 ILE A 250 7.517 -5.300 7.387 1.00 0.00 H new ATOM 0 HD12 ILE A 250 8.153 -5.676 9.006 1.00 0.00 H new ATOM 0 HD13 ILE A 250 7.833 -3.987 8.545 1.00 0.00 H new