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= -1.09 K(o=-2.2,f=-5.7!) USER MOD Set 1.2: A 208 THR OG1 : rot -175:sc= -1.13 USER MOD Set 2.1: A 184 HIS : no HD1:sc= -4.34! C(o=-9.9!,f=-7.7!) USER MOD Set 2.2: A 187 LYS NZ :NH3+ -132:sc= -5.56! (180deg=-4.37!) USER MOD Set 3.1: A 185 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 188 THR OG1 : rot -37:sc= 0.636 USER MOD Set 3.3: A 189 HIS : no HD1:sc= -0.36 K(o=-5.3,f=-6.5) USER MOD Set 3.4: A 192 GLN : amide:sc= -5.56! C(o=-5.3!,f=-7.3!) USER MOD Single : A 159 GLN : amide:sc=-0.00105 X(o=-0.0011,f=-0.014) USER MOD Single : A 162 ASN : amide:sc= -5.2! C(o=-5.2!,f=-10!) USER MOD Single : A 163 CYS SG : rot -94:sc= 0.0743 USER MOD Single : A 165 GLN : amide:sc= -0.0318 X(o=-0.032,f=0) USER MOD Single : A 167 MET CE :methyl 156:sc= -6.76! (180deg=-8.94!) USER MOD Single : A 173 HIS : no HD1:sc= -3.41! K(o=-3.4!,f=-1.6) USER MOD Single : A 174 SER OG : rot 180:sc= 0 USER MOD Single : A 179 TYR OH : rot 180:sc= -0.832 USER MOD Single : A 180 THR OG1 : rot 66:sc= 1.13 USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 194 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.62) USER MOD Single : A 195 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 196 THR OG1 : rot -9:sc= 1.06 USER MOD Single : A 201 HIS : no HD1:sc= -0.26 X(o=-0.26,f=0.059) USER MOD Single : A 212 SER OG : rot 180:sc= 0 USER MOD Single : A 217 CYS SG : rot 180:sc= -0.3 USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD Single : A 219 GLN : amide:sc= -2.93 K(o=-2.9,f=-7.1!) USER MOD Single : A 220 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.16) USER MOD Single : A 222 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 230 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 232 ASN : amide:sc= -3.67 K(o=-3.7,f=-5.3!) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 242 SER OG : rot 87:sc= 0.0541 USER MOD Single : A 245 THR OG1 : rot 180:sc= 0 USER MOD Single : A 246 SER OG : rot 180:sc= 0 USER MOD Single : A 248 LYS NZ :NH3+ 174:sc= 0.204 (180deg=0.0755) USER MOD ----------------------------------------------------------------- ATOM 82 N GLN A 159 -9.454 -11.006 1.727 1.00 0.00 N ATOM 83 CA GLN A 159 -8.501 -11.602 0.797 1.00 0.00 C ATOM 84 C GLN A 159 -7.374 -10.627 0.474 1.00 0.00 C ATOM 85 O GLN A 159 -7.509 -9.419 0.670 1.00 0.00 O ATOM 86 CB GLN A 159 -9.210 -12.027 -0.490 1.00 0.00 C ATOM 87 CG GLN A 159 -10.331 -13.028 -0.266 1.00 0.00 C ATOM 88 CD GLN A 159 -9.823 -14.449 -0.119 1.00 0.00 C ATOM 89 OE1 GLN A 159 -9.238 -15.011 -1.045 1.00 0.00 O ATOM 90 NE2 GLN A 159 -10.045 -15.039 1.050 1.00 0.00 N ATOM 0 HA GLN A 159 -8.069 -12.483 1.272 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -9.617 -11.142 -0.980 1.00 0.00 H new ATOM 0 HB3 GLN A 159 -8.478 -12.460 -1.172 1.00 0.00 H new ATOM 0 HG2 GLN A 159 -10.887 -12.751 0.629 1.00 0.00 H new ATOM 0 HG3 GLN A 159 -11.028 -12.980 -1.102 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -10.534 -14.536 1.790 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -9.726 -15.995 1.207 1.00 0.00 H new ATOM 99 N VAL A 160 -6.262 -11.159 -0.023 1.00 0.00 N ATOM 100 CA VAL A 160 -5.111 -10.335 -0.375 1.00 0.00 C ATOM 101 C VAL A 160 -5.444 -9.386 -1.521 1.00 0.00 C ATOM 102 O VAL A 160 -4.811 -8.344 -1.682 1.00 0.00 O ATOM 103 CB VAL A 160 -3.903 -11.202 -0.775 1.00 0.00 C ATOM 104 CG1 VAL A 160 -4.117 -11.815 -2.151 1.00 0.00 C ATOM 105 CG2 VAL A 160 -2.624 -10.379 -0.743 1.00 0.00 C ATOM 0 H VAL A 160 -6.133 -12.157 -0.191 1.00 0.00 H new ATOM 0 HA VAL A 160 -4.855 -9.754 0.511 1.00 0.00 H new ATOM 0 HB VAL A 160 -3.805 -12.013 -0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -3.253 -12.424 -2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -5.010 -12.439 -2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -4.241 -11.021 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -1.780 -11.007 -1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -2.709 -9.547 -1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -2.465 -9.993 0.264 1.00 0.00 H new ATOM 115 N GLY A 161 -6.445 -9.755 -2.316 1.00 0.00 N ATOM 116 CA GLY A 161 -6.845 -8.925 -3.437 1.00 0.00 C ATOM 117 C GLY A 161 -7.930 -7.933 -3.066 1.00 0.00 C ATOM 118 O GLY A 161 -8.005 -6.845 -3.634 1.00 0.00 O ATOM 0 H GLY A 161 -6.985 -10.613 -2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -5.976 -8.385 -3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -7.200 -9.561 -4.248 1.00 0.00 H new ATOM 122 N ASN A 162 -8.773 -8.311 -2.111 1.00 0.00 N ATOM 123 CA ASN A 162 -9.861 -7.447 -1.666 1.00 0.00 C ATOM 124 C ASN A 162 -9.418 -6.574 -0.495 1.00 0.00 C ATOM 125 O ASN A 162 -10.027 -5.542 -0.212 1.00 0.00 O ATOM 126 CB ASN A 162 -11.074 -8.286 -1.261 1.00 0.00 C ATOM 127 CG ASN A 162 -12.007 -7.540 -0.327 1.00 0.00 C ATOM 128 OD1 ASN A 162 -12.267 -6.351 -0.510 1.00 0.00 O ATOM 129 ND2 ASN A 162 -12.516 -8.238 0.682 1.00 0.00 N ATOM 0 H ASN A 162 -8.724 -9.209 -1.630 1.00 0.00 H new ATOM 0 HA ASN A 162 -10.138 -6.797 -2.496 1.00 0.00 H new ATOM 0 HB2 ASN A 162 -11.621 -8.584 -2.155 1.00 0.00 H new ATOM 0 HB3 ASN A 162 -10.734 -9.201 -0.776 1.00 0.00 H new ATOM 0 HD21 ASN A 162 -13.150 -7.790 1.343 1.00 0.00 H new ATOM 0 HD22 ASN A 162 -12.273 -9.222 0.795 1.00 0.00 H new ATOM 136 N CYS A 163 -8.355 -6.995 0.180 1.00 0.00 N ATOM 137 CA CYS A 163 -7.831 -6.252 1.321 1.00 0.00 C ATOM 138 C CYS A 163 -7.838 -4.753 1.043 1.00 0.00 C ATOM 139 O CYS A 163 -8.244 -3.956 1.890 1.00 0.00 O ATOM 140 CB CYS A 163 -6.410 -6.716 1.648 1.00 0.00 C ATOM 141 SG CYS A 163 -5.151 -6.099 0.506 1.00 0.00 S ATOM 0 H CYS A 163 -7.839 -7.846 -0.042 1.00 0.00 H new ATOM 0 HA CYS A 163 -8.476 -6.447 2.178 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -6.158 -6.394 2.658 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -6.385 -7.806 1.645 1.00 0.00 H new ATOM 0 HG CYS A 163 -4.950 -6.975 -0.433 1.00 0.00 H new ATOM 147 N LEU A 164 -7.385 -4.375 -0.147 1.00 0.00 N ATOM 148 CA LEU A 164 -7.338 -2.970 -0.537 1.00 0.00 C ATOM 149 C LEU A 164 -8.719 -2.329 -0.434 1.00 0.00 C ATOM 150 O LEU A 164 -8.904 -1.345 0.280 1.00 0.00 O ATOM 151 CB LEU A 164 -6.806 -2.834 -1.965 1.00 0.00 C ATOM 152 CG LEU A 164 -5.360 -3.281 -2.187 1.00 0.00 C ATOM 153 CD1 LEU A 164 -4.996 -3.194 -3.661 1.00 0.00 C ATOM 154 CD2 LEU A 164 -4.407 -2.440 -1.350 1.00 0.00 C ATOM 0 H LEU A 164 -7.045 -5.022 -0.859 1.00 0.00 H new ATOM 0 HA LEU A 164 -6.665 -2.452 0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -7.450 -3.412 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -6.893 -1.790 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 164 -5.268 -4.320 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -3.964 -3.516 -3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -5.658 -3.839 -4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -5.104 -2.165 -4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -3.383 -2.772 -1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -4.501 -1.392 -1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -4.654 -2.553 -0.294 1.00 0.00 H new ATOM 166 N GLN A 165 -9.684 -2.897 -1.151 1.00 0.00 N ATOM 167 CA GLN A 165 -11.048 -2.382 -1.138 1.00 0.00 C ATOM 168 C GLN A 165 -11.565 -2.246 0.290 1.00 0.00 C ATOM 169 O GLN A 165 -12.139 -1.221 0.659 1.00 0.00 O ATOM 170 CB GLN A 165 -11.970 -3.300 -1.942 1.00 0.00 C ATOM 171 CG GLN A 165 -13.448 -3.035 -1.707 1.00 0.00 C ATOM 172 CD GLN A 165 -14.311 -3.462 -2.878 1.00 0.00 C ATOM 173 OE1 GLN A 165 -15.109 -4.393 -2.769 1.00 0.00 O ATOM 174 NE2 GLN A 165 -14.155 -2.782 -4.008 1.00 0.00 N ATOM 0 H GLN A 165 -9.546 -3.713 -1.747 1.00 0.00 H new ATOM 0 HA GLN A 165 -11.041 -1.394 -1.598 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -11.752 -3.181 -3.003 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -11.750 -4.336 -1.686 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -13.770 -3.565 -0.811 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -13.597 -1.972 -1.519 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -13.482 -2.017 -4.054 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -14.708 -3.025 -4.830 1.00 0.00 H new ATOM 183 N VAL A 166 -11.359 -3.287 1.091 1.00 0.00 N ATOM 184 CA VAL A 166 -11.804 -3.283 2.479 1.00 0.00 C ATOM 185 C VAL A 166 -11.139 -2.160 3.267 1.00 0.00 C ATOM 186 O VAL A 166 -11.802 -1.222 3.710 1.00 0.00 O ATOM 187 CB VAL A 166 -11.501 -4.627 3.169 1.00 0.00 C ATOM 188 CG1 VAL A 166 -12.055 -4.637 4.585 1.00 0.00 C ATOM 189 CG2 VAL A 166 -12.070 -5.781 2.357 1.00 0.00 C ATOM 0 H VAL A 166 -10.887 -4.144 0.802 1.00 0.00 H new ATOM 0 HA VAL A 166 -12.882 -3.124 2.465 1.00 0.00 H new ATOM 0 HB VAL A 166 -10.420 -4.751 3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -11.831 -5.594 5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -11.597 -3.833 5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -13.135 -4.491 4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -11.847 -6.723 2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -13.150 -5.665 2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -11.621 -5.783 1.364 1.00 0.00 H new ATOM 199 N MET A 167 -9.825 -2.261 3.436 1.00 0.00 N ATOM 200 CA MET A 167 -9.069 -1.251 4.169 1.00 0.00 C ATOM 201 C MET A 167 -9.436 0.152 3.697 1.00 0.00 C ATOM 202 O MET A 167 -9.618 1.061 4.506 1.00 0.00 O ATOM 203 CB MET A 167 -7.567 -1.484 3.998 1.00 0.00 C ATOM 204 CG MET A 167 -6.966 -0.729 2.823 1.00 0.00 C ATOM 205 SD MET A 167 -5.215 -1.091 2.588 1.00 0.00 S ATOM 206 CE MET A 167 -4.468 0.151 3.641 1.00 0.00 C ATOM 0 H MET A 167 -9.261 -3.031 3.076 1.00 0.00 H new ATOM 0 HA MET A 167 -9.324 -1.337 5.225 1.00 0.00 H new ATOM 0 HB2 MET A 167 -7.055 -1.185 4.912 1.00 0.00 H new ATOM 0 HB3 MET A 167 -7.386 -2.551 3.865 1.00 0.00 H new ATOM 0 HG2 MET A 167 -7.511 -0.985 1.914 1.00 0.00 H new ATOM 0 HG3 MET A 167 -7.094 0.342 2.980 1.00 0.00 H new ATOM 0 HE1 MET A 167 -3.475 -0.180 3.946 1.00 0.00 H new ATOM 0 HE2 MET A 167 -4.385 1.090 3.094 1.00 0.00 H new ATOM 0 HE3 MET A 167 -5.088 0.300 4.525 1.00 0.00 H new ATOM 216 N TRP A 168 -9.542 0.319 2.383 1.00 0.00 N ATOM 217 CA TRP A 168 -9.887 1.613 1.804 1.00 0.00 C ATOM 218 C TRP A 168 -11.133 2.191 2.466 1.00 0.00 C ATOM 219 O TRP A 168 -11.065 3.207 3.160 1.00 0.00 O ATOM 220 CB TRP A 168 -10.112 1.476 0.297 1.00 0.00 C ATOM 221 CG TRP A 168 -9.913 2.758 -0.452 1.00 0.00 C ATOM 222 CD1 TRP A 168 -8.745 3.223 -0.985 1.00 0.00 C ATOM 223 CD2 TRP A 168 -10.911 3.741 -0.750 1.00 0.00 C ATOM 224 NE1 TRP A 168 -8.956 4.436 -1.596 1.00 0.00 N ATOM 225 CE2 TRP A 168 -10.277 4.775 -1.467 1.00 0.00 C ATOM 226 CE3 TRP A 168 -12.279 3.847 -0.483 1.00 0.00 C ATOM 227 CZ2 TRP A 168 -10.965 5.898 -1.917 1.00 0.00 C ATOM 228 CZ3 TRP A 168 -12.960 4.963 -0.930 1.00 0.00 C ATOM 229 CH2 TRP A 168 -12.303 5.976 -1.641 1.00 0.00 C ATOM 0 H TRP A 168 -9.394 -0.424 1.700 1.00 0.00 H new ATOM 0 HA TRP A 168 -9.056 2.295 1.980 1.00 0.00 H new ATOM 0 HB2 TRP A 168 -9.430 0.723 -0.098 1.00 0.00 H new ATOM 0 HB3 TRP A 168 -11.124 1.113 0.120 1.00 0.00 H new ATOM 0 HD1 TRP A 168 -7.795 2.712 -0.934 1.00 0.00 H new ATOM 0 HE1 TRP A 168 -8.244 4.993 -2.069 1.00 0.00 H new ATOM 0 HE3 TRP A 168 -12.794 3.071 0.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 168 -10.461 6.680 -2.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 168 -14.017 5.056 -0.728 1.00 0.00 H new ATOM 0 HH2 TRP A 168 -12.864 6.835 -1.978 1.00 0.00 H new ATOM 240 N LEU A 169 -12.270 1.540 2.248 1.00 0.00 N ATOM 241 CA LEU A 169 -13.532 1.990 2.824 1.00 0.00 C ATOM 242 C LEU A 169 -13.390 2.234 4.323 1.00 0.00 C ATOM 243 O LEU A 169 -13.861 3.244 4.845 1.00 0.00 O ATOM 244 CB LEU A 169 -14.631 0.958 2.565 1.00 0.00 C ATOM 245 CG LEU A 169 -15.350 1.066 1.220 1.00 0.00 C ATOM 246 CD1 LEU A 169 -14.515 0.436 0.116 1.00 0.00 C ATOM 247 CD2 LEU A 169 -16.721 0.410 1.295 1.00 0.00 C ATOM 0 H LEU A 169 -12.344 0.698 1.676 1.00 0.00 H new ATOM 0 HA LEU A 169 -13.806 2.930 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 169 -14.192 -0.037 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 169 -15.373 1.041 3.359 1.00 0.00 H new ATOM 0 HG LEU A 169 -15.486 2.122 0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 169 -15.043 0.522 -0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 169 -13.556 0.950 0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 169 -14.346 -0.617 0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 169 -17.219 0.496 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 169 -16.607 -0.643 1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 169 -17.321 0.907 2.058 1.00 0.00 H new ATOM 259 N ALA A 170 -12.736 1.302 5.009 1.00 0.00 N ATOM 260 CA ALA A 170 -12.528 1.418 6.447 1.00 0.00 C ATOM 261 C ALA A 170 -11.931 2.774 6.809 1.00 0.00 C ATOM 262 O ALA A 170 -12.475 3.500 7.640 1.00 0.00 O ATOM 263 CB ALA A 170 -11.630 0.294 6.943 1.00 0.00 C ATOM 0 H ALA A 170 -12.341 0.459 4.592 1.00 0.00 H new ATOM 0 HA ALA A 170 -13.498 1.336 6.937 1.00 0.00 H new ATOM 0 HB1 ALA A 170 -11.483 0.393 8.019 1.00 0.00 H new ATOM 0 HB2 ALA A 170 -12.097 -0.667 6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 170 -10.665 0.350 6.439 1.00 0.00 H new ATOM 269 N ASP A 171 -10.810 3.107 6.179 1.00 0.00 N ATOM 270 CA ASP A 171 -10.139 4.377 6.434 1.00 0.00 C ATOM 271 C ASP A 171 -11.094 5.548 6.225 1.00 0.00 C ATOM 272 O ASP A 171 -11.078 6.517 6.984 1.00 0.00 O ATOM 273 CB ASP A 171 -8.921 4.527 5.521 1.00 0.00 C ATOM 274 CG ASP A 171 -8.070 5.727 5.884 1.00 0.00 C ATOM 275 OD1 ASP A 171 -8.102 6.144 7.061 1.00 0.00 O ATOM 276 OD2 ASP A 171 -7.370 6.250 4.991 1.00 0.00 O ATOM 0 H ASP A 171 -10.347 2.516 5.489 1.00 0.00 H new ATOM 0 HA ASP A 171 -9.808 4.383 7.472 1.00 0.00 H new ATOM 0 HB2 ASP A 171 -8.314 3.624 5.579 1.00 0.00 H new ATOM 0 HB3 ASP A 171 -9.255 4.621 4.488 1.00 0.00 H new ATOM 281 N ARG A 172 -11.923 5.452 5.191 1.00 0.00 N ATOM 282 CA ARG A 172 -12.883 6.504 4.881 1.00 0.00 C ATOM 283 C ARG A 172 -13.961 6.591 5.958 1.00 0.00 C ATOM 284 O ARG A 172 -14.548 7.651 6.179 1.00 0.00 O ATOM 285 CB ARG A 172 -13.528 6.250 3.517 1.00 0.00 C ATOM 286 CG ARG A 172 -12.526 5.941 2.417 1.00 0.00 C ATOM 287 CD ARG A 172 -11.818 7.199 1.939 1.00 0.00 C ATOM 288 NE ARG A 172 -10.654 7.518 2.761 1.00 0.00 N ATOM 289 CZ ARG A 172 -9.791 8.485 2.469 1.00 0.00 C ATOM 290 NH1 ARG A 172 -9.960 9.222 1.380 1.00 0.00 N ATOM 291 NH2 ARG A 172 -8.756 8.715 3.267 1.00 0.00 N ATOM 0 H ARG A 172 -11.949 4.656 4.554 1.00 0.00 H new ATOM 0 HA ARG A 172 -12.347 7.453 4.850 1.00 0.00 H new ATOM 0 HB2 ARG A 172 -14.227 5.418 3.604 1.00 0.00 H new ATOM 0 HB3 ARG A 172 -14.110 7.126 3.231 1.00 0.00 H new ATOM 0 HG2 ARG A 172 -11.790 5.225 2.784 1.00 0.00 H new ATOM 0 HG3 ARG A 172 -13.038 5.470 1.578 1.00 0.00 H new ATOM 0 HD2 ARG A 172 -11.505 7.067 0.903 1.00 0.00 H new ATOM 0 HD3 ARG A 172 -12.515 8.037 1.957 1.00 0.00 H new ATOM 0 HE ARG A 172 -10.495 6.968 3.605 1.00 0.00 H new ATOM 0 HH11 ARG A 172 -10.754 9.047 0.764 1.00 0.00 H new ATOM 0 HH12 ARG A 172 -9.296 9.964 1.158 1.00 0.00 H new ATOM 0 HH21 ARG A 172 -8.623 8.149 4.105 1.00 0.00 H new ATOM 0 HH22 ARG A 172 -8.094 9.458 3.042 1.00 0.00 H new ATOM 305 N HIS A 173 -14.217 5.469 6.623 1.00 0.00 N ATOM 306 CA HIS A 173 -15.224 5.418 7.677 1.00 0.00 C ATOM 307 C HIS A 173 -14.570 5.438 9.055 1.00 0.00 C ATOM 308 O HIS A 173 -15.136 4.940 10.028 1.00 0.00 O ATOM 309 CB HIS A 173 -16.087 4.165 7.527 1.00 0.00 C ATOM 310 CG HIS A 173 -16.617 3.965 6.140 1.00 0.00 C ATOM 311 ND1 HIS A 173 -17.518 4.825 5.548 1.00 0.00 N ATOM 312 CD2 HIS A 173 -16.367 2.997 5.228 1.00 0.00 C ATOM 313 CE1 HIS A 173 -17.800 4.393 4.332 1.00 0.00 C ATOM 314 NE2 HIS A 173 -17.114 3.286 4.113 1.00 0.00 N ATOM 0 H HIS A 173 -13.741 4.583 6.451 1.00 0.00 H new ATOM 0 HA HIS A 173 -15.858 6.300 7.583 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -15.499 3.293 7.812 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -16.925 4.225 8.222 1.00 0.00 H new ATOM 0 HD2 HIS A 173 -15.703 2.154 5.354 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -18.477 4.865 3.635 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -17.136 2.735 3.255 1.00 0.00 H new ATOM 322 N SER A 174 -13.376 6.017 9.130 1.00 0.00 N ATOM 323 CA SER A 174 -12.643 6.097 10.388 1.00 0.00 C ATOM 324 C SER A 174 -12.676 4.760 11.123 1.00 0.00 C ATOM 325 O SER A 174 -12.861 4.712 12.339 1.00 0.00 O ATOM 326 CB SER A 174 -13.232 7.195 11.276 1.00 0.00 C ATOM 327 OG SER A 174 -12.252 7.720 12.155 1.00 0.00 O ATOM 0 H SER A 174 -12.896 6.438 8.335 1.00 0.00 H new ATOM 0 HA SER A 174 -11.605 6.341 10.161 1.00 0.00 H new ATOM 0 HB2 SER A 174 -13.633 7.995 10.653 1.00 0.00 H new ATOM 0 HB3 SER A 174 -14.065 6.793 11.853 1.00 0.00 H new ATOM 0 HG SER A 174 -12.653 8.421 12.711 1.00 0.00 H new ATOM 333 N ASP A 175 -12.496 3.677 10.375 1.00 0.00 N ATOM 334 CA ASP A 175 -12.504 2.339 10.954 1.00 0.00 C ATOM 335 C ASP A 175 -11.084 1.797 11.089 1.00 0.00 C ATOM 336 O ASP A 175 -10.510 1.248 10.148 1.00 0.00 O ATOM 337 CB ASP A 175 -13.344 1.393 10.094 1.00 0.00 C ATOM 338 CG ASP A 175 -13.993 0.292 10.909 1.00 0.00 C ATOM 339 OD1 ASP A 175 -13.303 -0.701 11.219 1.00 0.00 O ATOM 340 OD2 ASP A 175 -15.191 0.423 11.237 1.00 0.00 O ATOM 0 H ASP A 175 -12.343 3.700 9.367 1.00 0.00 H new ATOM 0 HA ASP A 175 -12.946 2.403 11.948 1.00 0.00 H new ATOM 0 HB2 ASP A 175 -14.117 1.964 9.580 1.00 0.00 H new ATOM 0 HB3 ASP A 175 -12.712 0.948 9.325 1.00 0.00 H new ATOM 345 N PRO A 176 -10.502 1.954 12.287 1.00 0.00 N ATOM 346 CA PRO A 176 -9.142 1.488 12.574 1.00 0.00 C ATOM 347 C PRO A 176 -9.048 -0.034 12.619 1.00 0.00 C ATOM 348 O PRO A 176 -8.143 -0.626 12.032 1.00 0.00 O ATOM 349 CB PRO A 176 -8.846 2.083 13.953 1.00 0.00 C ATOM 350 CG PRO A 176 -10.185 2.270 14.580 1.00 0.00 C ATOM 351 CD PRO A 176 -11.127 2.599 13.454 1.00 0.00 C ATOM 0 HA PRO A 176 -8.435 1.794 11.802 1.00 0.00 H new ATOM 0 HB2 PRO A 176 -8.221 1.416 14.546 1.00 0.00 H new ATOM 0 HB3 PRO A 176 -8.312 3.030 13.869 1.00 0.00 H new ATOM 0 HG2 PRO A 176 -10.501 1.367 15.102 1.00 0.00 H new ATOM 0 HG3 PRO A 176 -10.162 3.073 15.317 1.00 0.00 H new ATOM 0 HD2 PRO A 176 -12.128 2.209 13.640 1.00 0.00 H new ATOM 0 HD3 PRO A 176 -11.225 3.675 13.314 1.00 0.00 H new ATOM 359 N GLU A 177 -9.990 -0.660 13.318 1.00 0.00 N ATOM 360 CA GLU A 177 -10.011 -2.113 13.439 1.00 0.00 C ATOM 361 C GLU A 177 -9.858 -2.774 12.072 1.00 0.00 C ATOM 362 O GLU A 177 -8.913 -3.528 11.837 1.00 0.00 O ATOM 363 CB GLU A 177 -11.314 -2.572 14.097 1.00 0.00 C ATOM 364 CG GLU A 177 -11.555 -1.956 15.465 1.00 0.00 C ATOM 365 CD GLU A 177 -12.836 -2.448 16.109 1.00 0.00 C ATOM 366 OE1 GLU A 177 -13.922 -1.989 15.696 1.00 0.00 O ATOM 367 OE2 GLU A 177 -12.754 -3.292 17.026 1.00 0.00 O ATOM 0 H GLU A 177 -10.747 -0.184 13.808 1.00 0.00 H new ATOM 0 HA GLU A 177 -9.171 -2.413 14.065 1.00 0.00 H new ATOM 0 HB2 GLU A 177 -12.149 -2.322 13.443 1.00 0.00 H new ATOM 0 HB3 GLU A 177 -11.299 -3.658 14.194 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -10.713 -2.188 16.117 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -11.595 -0.871 15.369 1.00 0.00 H new ATOM 374 N LEU A 178 -10.795 -2.488 11.175 1.00 0.00 N ATOM 375 CA LEU A 178 -10.766 -3.055 9.831 1.00 0.00 C ATOM 376 C LEU A 178 -9.590 -2.502 9.032 1.00 0.00 C ATOM 377 O LEU A 178 -8.695 -3.246 8.630 1.00 0.00 O ATOM 378 CB LEU A 178 -12.077 -2.757 9.102 1.00 0.00 C ATOM 379 CG LEU A 178 -12.333 -3.560 7.826 1.00 0.00 C ATOM 380 CD1 LEU A 178 -12.097 -5.042 8.071 1.00 0.00 C ATOM 381 CD2 LEU A 178 -13.748 -3.319 7.319 1.00 0.00 C ATOM 0 H LEU A 178 -11.584 -1.867 11.354 1.00 0.00 H new ATOM 0 HA LEU A 178 -10.645 -4.134 9.921 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -12.902 -2.936 9.792 1.00 0.00 H new ATOM 0 HB3 LEU A 178 -12.097 -1.697 8.850 1.00 0.00 H new ATOM 0 HG LEU A 178 -11.633 -3.224 7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 178 -12.284 -5.597 7.152 1.00 0.00 H new ATOM 0 HD12 LEU A 178 -11.065 -5.199 8.386 1.00 0.00 H new ATOM 0 HD13 LEU A 178 -12.772 -5.394 8.851 1.00 0.00 H new ATOM 0 HD21 LEU A 178 -13.913 -3.898 6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 178 -14.465 -3.627 8.080 1.00 0.00 H new ATOM 0 HD23 LEU A 178 -13.881 -2.259 7.103 1.00 0.00 H new ATOM 393 N TYR A 179 -9.597 -1.193 8.808 1.00 0.00 N ATOM 394 CA TYR A 179 -8.531 -0.540 8.057 1.00 0.00 C ATOM 395 C TYR A 179 -7.173 -1.142 8.404 1.00 0.00 C ATOM 396 O TYR A 179 -6.404 -1.522 7.520 1.00 0.00 O ATOM 397 CB TYR A 179 -8.523 0.963 8.343 1.00 0.00 C ATOM 398 CG TYR A 179 -7.501 1.728 7.533 1.00 0.00 C ATOM 399 CD1 TYR A 179 -7.277 1.424 6.196 1.00 0.00 C ATOM 400 CD2 TYR A 179 -6.760 2.754 8.105 1.00 0.00 C ATOM 401 CE1 TYR A 179 -6.344 2.120 5.452 1.00 0.00 C ATOM 402 CE2 TYR A 179 -5.826 3.457 7.368 1.00 0.00 C ATOM 403 CZ TYR A 179 -5.622 3.136 6.042 1.00 0.00 C ATOM 404 OH TYR A 179 -4.691 3.832 5.305 1.00 0.00 O ATOM 0 H TYR A 179 -10.329 -0.563 9.136 1.00 0.00 H new ATOM 0 HA TYR A 179 -8.719 -0.700 6.995 1.00 0.00 H new ATOM 0 HB2 TYR A 179 -9.514 1.369 8.138 1.00 0.00 H new ATOM 0 HB3 TYR A 179 -8.326 1.122 9.403 1.00 0.00 H new ATOM 0 HD1 TYR A 179 -7.842 0.630 5.730 1.00 0.00 H new ATOM 0 HD2 TYR A 179 -6.916 3.007 9.143 1.00 0.00 H new ATOM 0 HE1 TYR A 179 -6.181 1.870 4.414 1.00 0.00 H new ATOM 0 HE2 TYR A 179 -5.259 4.253 7.828 1.00 0.00 H new ATOM 0 HH TYR A 179 -4.271 4.515 5.869 1.00 0.00 H new ATOM 414 N THR A 180 -6.883 -1.227 9.699 1.00 0.00 N ATOM 415 CA THR A 180 -5.619 -1.782 10.164 1.00 0.00 C ATOM 416 C THR A 180 -5.439 -3.219 9.686 1.00 0.00 C ATOM 417 O THR A 180 -4.418 -3.562 9.092 1.00 0.00 O ATOM 418 CB THR A 180 -5.523 -1.750 11.701 1.00 0.00 C ATOM 419 OG1 THR A 180 -5.675 -0.406 12.173 1.00 0.00 O ATOM 420 CG2 THR A 180 -4.190 -2.311 12.173 1.00 0.00 C ATOM 0 H THR A 180 -7.507 -0.918 10.444 1.00 0.00 H new ATOM 0 HA THR A 180 -4.828 -1.160 9.744 1.00 0.00 H new ATOM 0 HB THR A 180 -6.323 -2.370 12.106 1.00 0.00 H new ATOM 0 HG1 THR A 180 -6.581 -0.090 11.973 1.00 0.00 H new ATOM 0 HG21 THR A 180 -4.146 -2.278 13.262 1.00 0.00 H new ATOM 0 HG22 THR A 180 -4.090 -3.343 11.837 1.00 0.00 H new ATOM 0 HG23 THR A 180 -3.377 -1.715 11.759 1.00 0.00 H new ATOM 428 N ALA A 181 -6.439 -4.054 9.948 1.00 0.00 N ATOM 429 CA ALA A 181 -6.392 -5.453 9.541 1.00 0.00 C ATOM 430 C ALA A 181 -6.011 -5.585 8.071 1.00 0.00 C ATOM 431 O ALA A 181 -4.916 -6.040 7.742 1.00 0.00 O ATOM 432 CB ALA A 181 -7.733 -6.124 9.803 1.00 0.00 C ATOM 0 H ALA A 181 -7.291 -3.786 10.440 1.00 0.00 H new ATOM 0 HA ALA A 181 -5.626 -5.952 10.134 1.00 0.00 H new ATOM 0 HB1 ALA A 181 -7.684 -7.168 9.494 1.00 0.00 H new ATOM 0 HB2 ALA A 181 -7.965 -6.070 10.867 1.00 0.00 H new ATOM 0 HB3 ALA A 181 -8.512 -5.614 9.236 1.00 0.00 H new ATOM 438 N ALA A 182 -6.921 -5.183 7.190 1.00 0.00 N ATOM 439 CA ALA A 182 -6.679 -5.255 5.754 1.00 0.00 C ATOM 440 C ALA A 182 -5.359 -4.588 5.386 1.00 0.00 C ATOM 441 O ALA A 182 -4.605 -5.095 4.555 1.00 0.00 O ATOM 442 CB ALA A 182 -7.829 -4.612 4.992 1.00 0.00 C ATOM 0 H ALA A 182 -7.833 -4.804 7.445 1.00 0.00 H new ATOM 0 HA ALA A 182 -6.615 -6.306 5.473 1.00 0.00 H new ATOM 0 HB1 ALA A 182 -7.635 -4.673 3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 182 -8.757 -5.136 5.223 1.00 0.00 H new ATOM 0 HB3 ALA A 182 -7.920 -3.566 5.285 1.00 0.00 H new ATOM 448 N LYS A 183 -5.085 -3.446 6.008 1.00 0.00 N ATOM 449 CA LYS A 183 -3.855 -2.708 5.747 1.00 0.00 C ATOM 450 C LYS A 183 -2.631 -3.585 5.989 1.00 0.00 C ATOM 451 O LYS A 183 -1.713 -3.628 5.170 1.00 0.00 O ATOM 452 CB LYS A 183 -3.786 -1.462 6.633 1.00 0.00 C ATOM 453 CG LYS A 183 -2.519 -0.647 6.438 1.00 0.00 C ATOM 454 CD LYS A 183 -2.696 0.783 6.921 1.00 0.00 C ATOM 455 CE LYS A 183 -2.792 0.852 8.437 1.00 0.00 C ATOM 456 NZ LYS A 183 -2.384 2.186 8.959 1.00 0.00 N ATOM 0 H LYS A 183 -5.699 -3.011 6.697 1.00 0.00 H new ATOM 0 HA LYS A 183 -3.860 -2.403 4.701 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -4.650 -0.830 6.425 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -3.856 -1.765 7.678 1.00 0.00 H new ATOM 0 HG2 LYS A 183 -1.697 -1.116 6.979 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -2.246 -0.644 5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -1.857 1.389 6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -3.597 1.209 6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -3.815 0.639 8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -2.159 0.081 8.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -2.463 2.192 9.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -1.399 2.379 8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -3.004 2.919 8.560 1.00 0.00 H new ATOM 470 N HIS A 184 -2.626 -4.285 7.119 1.00 0.00 N ATOM 471 CA HIS A 184 -1.515 -5.164 7.468 1.00 0.00 C ATOM 472 C HIS A 184 -1.312 -6.233 6.399 1.00 0.00 C ATOM 473 O HIS A 184 -0.191 -6.465 5.944 1.00 0.00 O ATOM 474 CB HIS A 184 -1.766 -5.824 8.825 1.00 0.00 C ATOM 475 CG HIS A 184 -1.342 -4.982 9.988 1.00 0.00 C ATOM 476 ND1 HIS A 184 -0.444 -5.414 10.941 1.00 0.00 N ATOM 477 CD2 HIS A 184 -1.696 -3.727 10.348 1.00 0.00 C ATOM 478 CE1 HIS A 184 -0.265 -4.461 11.839 1.00 0.00 C ATOM 479 NE2 HIS A 184 -1.014 -3.426 11.502 1.00 0.00 N ATOM 0 H HIS A 184 -3.378 -4.261 7.808 1.00 0.00 H new ATOM 0 HA HIS A 184 -0.610 -4.559 7.528 1.00 0.00 H new ATOM 0 HB2 HIS A 184 -2.828 -6.050 8.919 1.00 0.00 H new ATOM 0 HB3 HIS A 184 -1.233 -6.774 8.862 1.00 0.00 H new ATOM 0 HD2 HIS A 184 -2.386 -3.082 9.825 1.00 0.00 H new ATOM 0 HE1 HIS A 184 0.383 -4.518 12.701 1.00 0.00 H new ATOM 0 HE2 HIS A 184 -1.076 -2.547 12.015 1.00 0.00 H new ATOM 487 N CYS A 185 -2.401 -6.882 6.003 1.00 0.00 N ATOM 488 CA CYS A 185 -2.342 -7.928 4.988 1.00 0.00 C ATOM 489 C CYS A 185 -1.782 -7.383 3.678 1.00 0.00 C ATOM 490 O CYS A 185 -1.164 -8.114 2.904 1.00 0.00 O ATOM 491 CB CYS A 185 -3.732 -8.521 4.755 1.00 0.00 C ATOM 492 SG CYS A 185 -3.717 -10.235 4.181 1.00 0.00 S ATOM 0 H CYS A 185 -3.336 -6.702 6.369 1.00 0.00 H new ATOM 0 HA CYS A 185 -1.677 -8.712 5.348 1.00 0.00 H new ATOM 0 HB2 CYS A 185 -4.299 -8.465 5.684 1.00 0.00 H new ATOM 0 HB3 CYS A 185 -4.258 -7.909 4.023 1.00 0.00 H new ATOM 0 HG CYS A 185 -4.939 -10.648 4.015 1.00 0.00 H new ATOM 498 N ALA A 186 -2.003 -6.096 3.436 1.00 0.00 N ATOM 499 CA ALA A 186 -1.520 -5.453 2.220 1.00 0.00 C ATOM 500 C ALA A 186 -0.006 -5.278 2.256 1.00 0.00 C ATOM 501 O ALA A 186 0.705 -5.746 1.366 1.00 0.00 O ATOM 502 CB ALA A 186 -2.205 -4.108 2.026 1.00 0.00 C ATOM 0 H ALA A 186 -2.514 -5.477 4.066 1.00 0.00 H new ATOM 0 HA ALA A 186 -1.765 -6.098 1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 186 -1.835 -3.639 1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 186 -3.282 -4.256 1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 186 -1.990 -3.464 2.878 1.00 0.00 H new ATOM 508 N LYS A 187 0.482 -4.599 3.289 1.00 0.00 N ATOM 509 CA LYS A 187 1.912 -4.362 3.442 1.00 0.00 C ATOM 510 C LYS A 187 2.694 -5.669 3.352 1.00 0.00 C ATOM 511 O LYS A 187 3.813 -5.702 2.840 1.00 0.00 O ATOM 512 CB LYS A 187 2.196 -3.677 4.781 1.00 0.00 C ATOM 513 CG LYS A 187 1.921 -4.559 5.986 1.00 0.00 C ATOM 514 CD LYS A 187 2.667 -4.071 7.216 1.00 0.00 C ATOM 515 CE LYS A 187 1.848 -3.054 7.997 1.00 0.00 C ATOM 516 NZ LYS A 187 0.962 -3.708 9.000 1.00 0.00 N ATOM 0 H LYS A 187 -0.093 -4.203 4.033 1.00 0.00 H new ATOM 0 HA LYS A 187 2.235 -3.710 2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 187 3.239 -3.360 4.804 1.00 0.00 H new ATOM 0 HB3 LYS A 187 1.588 -2.776 4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 187 0.850 -4.574 6.191 1.00 0.00 H new ATOM 0 HG3 LYS A 187 2.217 -5.584 5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 187 2.905 -4.919 7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 187 3.614 -3.623 6.915 1.00 0.00 H new ATOM 0 HE2 LYS A 187 2.518 -2.359 8.503 1.00 0.00 H new ATOM 0 HE3 LYS A 187 1.243 -2.467 7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 187 0.001 -3.317 8.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 187 0.935 -4.733 8.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 187 1.331 -3.531 9.956 1.00 0.00 H new ATOM 530 N THR A 188 2.096 -6.746 3.851 1.00 0.00 N ATOM 531 CA THR A 188 2.735 -8.056 3.827 1.00 0.00 C ATOM 532 C THR A 188 2.779 -8.620 2.412 1.00 0.00 C ATOM 533 O THR A 188 3.800 -9.154 1.977 1.00 0.00 O ATOM 534 CB THR A 188 2.004 -9.055 4.743 1.00 0.00 C ATOM 535 OG1 THR A 188 0.701 -9.336 4.220 1.00 0.00 O ATOM 536 CG2 THR A 188 1.881 -8.504 6.156 1.00 0.00 C ATOM 0 H THR A 188 1.169 -6.737 4.277 1.00 0.00 H new ATOM 0 HA THR A 188 3.753 -7.918 4.192 1.00 0.00 H new ATOM 0 HB THR A 188 2.587 -9.975 4.779 1.00 0.00 H new ATOM 0 HG1 THR A 188 0.322 -8.520 3.831 1.00 0.00 H new ATOM 0 HG21 THR A 188 1.361 -9.227 6.785 1.00 0.00 H new ATOM 0 HG22 THR A 188 2.875 -8.319 6.562 1.00 0.00 H new ATOM 0 HG23 THR A 188 1.318 -7.571 6.135 1.00 0.00 H new ATOM 544 N HIS A 189 1.666 -8.497 1.696 1.00 0.00 N ATOM 545 CA HIS A 189 1.578 -8.994 0.327 1.00 0.00 C ATOM 546 C HIS A 189 1.486 -7.839 -0.665 1.00 0.00 C ATOM 547 O HIS A 189 0.750 -7.910 -1.650 1.00 0.00 O ATOM 548 CB HIS A 189 0.366 -9.913 0.172 1.00 0.00 C ATOM 549 CG HIS A 189 0.361 -11.065 1.129 1.00 0.00 C ATOM 550 ND1 HIS A 189 1.460 -11.871 1.342 1.00 0.00 N ATOM 551 CD2 HIS A 189 -0.616 -11.545 1.933 1.00 0.00 C ATOM 552 CE1 HIS A 189 1.158 -12.797 2.234 1.00 0.00 C ATOM 553 NE2 HIS A 189 -0.096 -12.621 2.609 1.00 0.00 N ATOM 0 H HIS A 189 0.812 -8.058 2.041 1.00 0.00 H new ATOM 0 HA HIS A 189 2.484 -9.562 0.114 1.00 0.00 H new ATOM 0 HB2 HIS A 189 -0.543 -9.329 0.315 1.00 0.00 H new ATOM 0 HB3 HIS A 189 0.341 -10.298 -0.847 1.00 0.00 H new ATOM 0 HD2 HIS A 189 -1.619 -11.154 2.026 1.00 0.00 H new ATOM 0 HE1 HIS A 189 1.823 -13.567 2.595 1.00 0.00 H new ATOM 0 HE2 HIS A 189 -0.597 -13.192 3.290 1.00 0.00 H new ATOM 561 N LEU A 190 2.237 -6.776 -0.400 1.00 0.00 N ATOM 562 CA LEU A 190 2.240 -5.605 -1.270 1.00 0.00 C ATOM 563 C LEU A 190 2.413 -6.011 -2.730 1.00 0.00 C ATOM 564 O LEU A 190 1.634 -5.608 -3.593 1.00 0.00 O ATOM 565 CB LEU A 190 3.358 -4.644 -0.860 1.00 0.00 C ATOM 566 CG LEU A 190 3.100 -3.161 -1.130 1.00 0.00 C ATOM 567 CD1 LEU A 190 4.182 -2.306 -0.488 1.00 0.00 C ATOM 568 CD2 LEU A 190 3.027 -2.896 -2.627 1.00 0.00 C ATOM 0 H LEU A 190 2.852 -6.701 0.410 1.00 0.00 H new ATOM 0 HA LEU A 190 1.279 -5.102 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 190 3.547 -4.771 0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 190 4.270 -4.935 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 190 2.141 -2.892 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 190 3.982 -1.254 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 190 4.187 -2.474 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 190 5.153 -2.577 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 190 2.843 -1.836 -2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 190 3.970 -3.182 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 190 2.216 -3.481 -3.061 1.00 0.00 H new ATOM 580 N ALA A 191 3.438 -6.813 -2.998 1.00 0.00 N ATOM 581 CA ALA A 191 3.710 -7.278 -4.352 1.00 0.00 C ATOM 582 C ALA A 191 2.436 -7.770 -5.031 1.00 0.00 C ATOM 583 O ALA A 191 2.056 -7.274 -6.090 1.00 0.00 O ATOM 584 CB ALA A 191 4.759 -8.380 -4.332 1.00 0.00 C ATOM 0 H ALA A 191 4.094 -7.154 -2.295 1.00 0.00 H new ATOM 0 HA ALA A 191 4.095 -6.436 -4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 191 4.952 -8.717 -5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 191 5.681 -7.996 -3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 191 4.396 -9.217 -3.735 1.00 0.00 H new ATOM 590 N GLN A 192 1.783 -8.749 -4.412 1.00 0.00 N ATOM 591 CA GLN A 192 0.552 -9.309 -4.958 1.00 0.00 C ATOM 592 C GLN A 192 -0.397 -8.203 -5.406 1.00 0.00 C ATOM 593 O GLN A 192 -1.295 -8.431 -6.218 1.00 0.00 O ATOM 594 CB GLN A 192 -0.134 -10.197 -3.919 1.00 0.00 C ATOM 595 CG GLN A 192 0.743 -11.331 -3.413 1.00 0.00 C ATOM 596 CD GLN A 192 0.027 -12.224 -2.420 1.00 0.00 C ATOM 597 OE1 GLN A 192 -1.180 -12.447 -2.525 1.00 0.00 O ATOM 598 NE2 GLN A 192 0.768 -12.742 -1.447 1.00 0.00 N ATOM 0 H GLN A 192 2.085 -9.170 -3.534 1.00 0.00 H new ATOM 0 HA GLN A 192 0.812 -9.914 -5.827 1.00 0.00 H new ATOM 0 HB2 GLN A 192 -0.441 -9.582 -3.073 1.00 0.00 H new ATOM 0 HB3 GLN A 192 -1.041 -10.617 -4.354 1.00 0.00 H new ATOM 0 HG2 GLN A 192 1.079 -11.931 -4.259 1.00 0.00 H new ATOM 0 HG3 GLN A 192 1.634 -10.914 -2.944 1.00 0.00 H new ATOM 0 HE21 GLN A 192 1.765 -12.531 -1.398 1.00 0.00 H new ATOM 0 HE22 GLN A 192 0.340 -13.351 -0.749 1.00 0.00 H new ATOM 607 N LEU A 193 -0.195 -7.004 -4.872 1.00 0.00 N ATOM 608 CA LEU A 193 -1.033 -5.861 -5.216 1.00 0.00 C ATOM 609 C LEU A 193 -0.338 -4.962 -6.233 1.00 0.00 C ATOM 610 O LEU A 193 -0.976 -4.421 -7.136 1.00 0.00 O ATOM 611 CB LEU A 193 -1.377 -5.058 -3.960 1.00 0.00 C ATOM 612 CG LEU A 193 -1.693 -5.876 -2.706 1.00 0.00 C ATOM 613 CD1 LEU A 193 -1.761 -4.974 -1.484 1.00 0.00 C ATOM 614 CD2 LEU A 193 -2.998 -6.638 -2.882 1.00 0.00 C ATOM 0 H LEU A 193 0.543 -6.798 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 193 -1.953 -6.239 -5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -0.541 -4.395 -3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -2.235 -4.424 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 193 -0.891 -6.598 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -1.987 -5.573 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -0.802 -4.474 -1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -2.543 -4.228 -1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -3.207 -7.214 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -3.810 -5.933 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -2.913 -7.314 -3.733 1.00 0.00 H new ATOM 626 N GLN A 194 0.974 -4.809 -6.081 1.00 0.00 N ATOM 627 CA GLN A 194 1.755 -3.977 -6.988 1.00 0.00 C ATOM 628 C GLN A 194 1.582 -4.434 -8.432 1.00 0.00 C ATOM 629 O GLN A 194 1.753 -3.652 -9.366 1.00 0.00 O ATOM 630 CB GLN A 194 3.235 -4.015 -6.602 1.00 0.00 C ATOM 631 CG GLN A 194 4.020 -5.108 -7.309 1.00 0.00 C ATOM 632 CD GLN A 194 5.510 -5.022 -7.042 1.00 0.00 C ATOM 633 OE1 GLN A 194 6.326 -5.247 -7.936 1.00 0.00 O ATOM 634 NE2 GLN A 194 5.873 -4.695 -5.808 1.00 0.00 N ATOM 0 H GLN A 194 1.517 -5.250 -5.339 1.00 0.00 H new ATOM 0 HA GLN A 194 1.391 -2.953 -6.905 1.00 0.00 H new ATOM 0 HB2 GLN A 194 3.686 -3.049 -6.830 1.00 0.00 H new ATOM 0 HB3 GLN A 194 3.317 -4.159 -5.525 1.00 0.00 H new ATOM 0 HG2 GLN A 194 3.652 -6.082 -6.985 1.00 0.00 H new ATOM 0 HG3 GLN A 194 3.843 -5.041 -8.382 1.00 0.00 H new ATOM 0 HE21 GLN A 194 5.163 -4.517 -5.098 1.00 0.00 H new ATOM 0 HE22 GLN A 194 6.862 -4.622 -5.570 1.00 0.00 H new ATOM 643 N ASN A 195 1.243 -5.707 -8.608 1.00 0.00 N ATOM 644 CA ASN A 195 1.047 -6.270 -9.939 1.00 0.00 C ATOM 645 C ASN A 195 -0.398 -6.097 -10.396 1.00 0.00 C ATOM 646 O ASN A 195 -0.719 -6.295 -11.569 1.00 0.00 O ATOM 647 CB ASN A 195 1.424 -7.753 -9.949 1.00 0.00 C ATOM 648 CG ASN A 195 1.682 -8.274 -11.350 1.00 0.00 C ATOM 649 OD1 ASN A 195 2.469 -7.700 -12.102 1.00 0.00 O ATOM 650 ND2 ASN A 195 1.019 -9.368 -11.705 1.00 0.00 N ATOM 0 H ASN A 195 1.098 -6.368 -7.845 1.00 0.00 H new ATOM 0 HA ASN A 195 1.695 -5.733 -10.632 1.00 0.00 H new ATOM 0 HB2 ASN A 195 2.315 -7.903 -9.339 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.622 -8.332 -9.491 1.00 0.00 H new ATOM 0 HD21 ASN A 195 1.152 -9.766 -12.635 1.00 0.00 H new ATOM 0 HD22 ASN A 195 0.376 -9.810 -11.048 1.00 0.00 H new ATOM 657 N THR A 196 -1.268 -5.726 -9.462 1.00 0.00 N ATOM 658 CA THR A 196 -2.679 -5.527 -9.768 1.00 0.00 C ATOM 659 C THR A 196 -2.968 -4.069 -10.107 1.00 0.00 C ATOM 660 O THR A 196 -2.166 -3.184 -9.811 1.00 0.00 O ATOM 661 CB THR A 196 -3.575 -5.955 -8.590 1.00 0.00 C ATOM 662 OG1 THR A 196 -3.361 -5.087 -7.471 1.00 0.00 O ATOM 663 CG2 THR A 196 -3.286 -7.393 -8.185 1.00 0.00 C ATOM 0 H THR A 196 -1.020 -5.557 -8.487 1.00 0.00 H new ATOM 0 HA THR A 196 -2.906 -6.150 -10.633 1.00 0.00 H new ATOM 0 HB THR A 196 -4.615 -5.886 -8.909 1.00 0.00 H new ATOM 0 HG1 THR A 196 -2.593 -4.506 -7.650 1.00 0.00 H new ATOM 0 HG21 THR A 196 -3.930 -7.673 -7.352 1.00 0.00 H new ATOM 0 HG22 THR A 196 -3.478 -8.054 -9.030 1.00 0.00 H new ATOM 0 HG23 THR A 196 -2.243 -7.483 -7.883 1.00 0.00 H new ATOM 671 N GLU A 197 -4.118 -3.828 -10.729 1.00 0.00 N ATOM 672 CA GLU A 197 -4.511 -2.476 -11.108 1.00 0.00 C ATOM 673 C GLU A 197 -5.006 -1.693 -9.895 1.00 0.00 C ATOM 674 O GLU A 197 -4.509 -0.606 -9.601 1.00 0.00 O ATOM 675 CB GLU A 197 -5.602 -2.520 -12.180 1.00 0.00 C ATOM 676 CG GLU A 197 -5.156 -3.178 -13.475 1.00 0.00 C ATOM 677 CD GLU A 197 -5.039 -4.685 -13.354 1.00 0.00 C ATOM 678 OE1 GLU A 197 -6.088 -5.355 -13.245 1.00 0.00 O ATOM 679 OE2 GLU A 197 -3.899 -5.194 -13.368 1.00 0.00 O ATOM 0 H GLU A 197 -4.793 -4.550 -10.981 1.00 0.00 H new ATOM 0 HA GLU A 197 -3.634 -1.970 -11.512 1.00 0.00 H new ATOM 0 HB2 GLU A 197 -6.464 -3.058 -11.787 1.00 0.00 H new ATOM 0 HB3 GLU A 197 -5.931 -1.503 -12.393 1.00 0.00 H new ATOM 0 HG2 GLU A 197 -5.866 -2.935 -14.265 1.00 0.00 H new ATOM 0 HG3 GLU A 197 -4.193 -2.766 -13.775 1.00 0.00 H new ATOM 686 N GLU A 198 -5.988 -2.253 -9.197 1.00 0.00 N ATOM 687 CA GLU A 198 -6.551 -1.607 -8.018 1.00 0.00 C ATOM 688 C GLU A 198 -5.476 -0.844 -7.249 1.00 0.00 C ATOM 689 O GLU A 198 -5.541 0.378 -7.115 1.00 0.00 O ATOM 690 CB GLU A 198 -7.207 -2.644 -7.104 1.00 0.00 C ATOM 691 CG GLU A 198 -8.653 -2.944 -7.463 1.00 0.00 C ATOM 692 CD GLU A 198 -8.777 -3.900 -8.634 1.00 0.00 C ATOM 693 OE1 GLU A 198 -8.463 -3.490 -9.771 1.00 0.00 O ATOM 694 OE2 GLU A 198 -9.189 -5.058 -8.413 1.00 0.00 O ATOM 0 H GLU A 198 -6.410 -3.152 -9.427 1.00 0.00 H new ATOM 0 HA GLU A 198 -7.308 -0.897 -8.352 1.00 0.00 H new ATOM 0 HB2 GLU A 198 -6.632 -3.569 -7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 198 -7.163 -2.288 -6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 198 -9.158 -3.370 -6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 198 -9.165 -2.012 -7.704 1.00 0.00 H new ATOM 701 N PHE A 199 -4.486 -1.575 -6.746 1.00 0.00 N ATOM 702 CA PHE A 199 -3.397 -0.969 -5.990 1.00 0.00 C ATOM 703 C PHE A 199 -2.931 0.326 -6.649 1.00 0.00 C ATOM 704 O PHE A 199 -2.880 1.378 -6.011 1.00 0.00 O ATOM 705 CB PHE A 199 -2.224 -1.945 -5.872 1.00 0.00 C ATOM 706 CG PHE A 199 -0.978 -1.321 -5.312 1.00 0.00 C ATOM 707 CD1 PHE A 199 -0.825 -1.156 -3.945 1.00 0.00 C ATOM 708 CD2 PHE A 199 0.039 -0.899 -6.152 1.00 0.00 C ATOM 709 CE1 PHE A 199 0.320 -0.581 -3.427 1.00 0.00 C ATOM 710 CE2 PHE A 199 1.187 -0.324 -5.640 1.00 0.00 C ATOM 711 CZ PHE A 199 1.328 -0.166 -4.275 1.00 0.00 C ATOM 0 H PHE A 199 -4.416 -2.587 -6.849 1.00 0.00 H new ATOM 0 HA PHE A 199 -3.768 -0.735 -4.992 1.00 0.00 H new ATOM 0 HB2 PHE A 199 -2.519 -2.780 -5.237 1.00 0.00 H new ATOM 0 HB3 PHE A 199 -2.004 -2.356 -6.857 1.00 0.00 H new ATOM 0 HD1 PHE A 199 -1.609 -1.480 -3.277 1.00 0.00 H new ATOM 0 HD2 PHE A 199 -0.066 -1.021 -7.220 1.00 0.00 H new ATOM 0 HE1 PHE A 199 0.426 -0.456 -2.360 1.00 0.00 H new ATOM 0 HE2 PHE A 199 1.972 0.001 -6.306 1.00 0.00 H new ATOM 0 HZ PHE A 199 2.225 0.281 -3.872 1.00 0.00 H new ATOM 721 N LEU A 200 -2.591 0.241 -7.931 1.00 0.00 N ATOM 722 CA LEU A 200 -2.129 1.405 -8.679 1.00 0.00 C ATOM 723 C LEU A 200 -3.231 2.454 -8.789 1.00 0.00 C ATOM 724 O LEU A 200 -2.957 3.640 -8.976 1.00 0.00 O ATOM 725 CB LEU A 200 -1.665 0.987 -10.075 1.00 0.00 C ATOM 726 CG LEU A 200 -0.649 -0.154 -10.131 1.00 0.00 C ATOM 727 CD1 LEU A 200 -0.756 -0.899 -11.453 1.00 0.00 C ATOM 728 CD2 LEU A 200 0.762 0.377 -9.929 1.00 0.00 C ATOM 0 H LEU A 200 -2.627 -0.622 -8.474 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.289 1.843 -8.140 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.541 0.696 -10.655 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -1.231 1.857 -10.568 1.00 0.00 H new ATOM 0 HG LEU A 200 -0.871 -0.852 -9.324 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -0.025 -1.708 -11.475 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -1.759 -1.313 -11.557 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -0.560 -0.211 -12.275 1.00 0.00 H new ATOM 0 HD21 LEU A 200 1.471 -0.449 -9.972 1.00 0.00 H new ATOM 0 HD22 LEU A 200 0.996 1.097 -10.713 1.00 0.00 H new ATOM 0 HD23 LEU A 200 0.832 0.865 -8.957 1.00 0.00 H new ATOM 740 N HIS A 201 -4.478 2.010 -8.670 1.00 0.00 N ATOM 741 CA HIS A 201 -5.622 2.911 -8.754 1.00 0.00 C ATOM 742 C HIS A 201 -5.861 3.611 -7.419 1.00 0.00 C ATOM 743 O HIS A 201 -6.589 4.602 -7.348 1.00 0.00 O ATOM 744 CB HIS A 201 -6.875 2.141 -9.171 1.00 0.00 C ATOM 745 CG HIS A 201 -6.969 1.904 -10.647 1.00 0.00 C ATOM 746 ND1 HIS A 201 -8.005 2.382 -11.422 1.00 0.00 N ATOM 747 CD2 HIS A 201 -6.147 1.236 -11.490 1.00 0.00 C ATOM 748 CE1 HIS A 201 -7.817 2.016 -12.677 1.00 0.00 C ATOM 749 NE2 HIS A 201 -6.696 1.320 -12.746 1.00 0.00 N ATOM 0 H HIS A 201 -4.722 1.032 -8.515 1.00 0.00 H new ATOM 0 HA HIS A 201 -5.403 3.668 -9.507 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -6.890 1.181 -8.656 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -7.756 2.692 -8.843 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -5.230 0.731 -11.224 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -8.469 2.247 -13.506 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -6.303 0.912 -13.594 1.00 0.00 H new ATOM 757 N LEU A 202 -5.244 3.090 -6.365 1.00 0.00 N ATOM 758 CA LEU A 202 -5.390 3.664 -5.032 1.00 0.00 C ATOM 759 C LEU A 202 -4.717 5.031 -4.951 1.00 0.00 C ATOM 760 O LEU A 202 -3.770 5.328 -5.679 1.00 0.00 O ATOM 761 CB LEU A 202 -4.792 2.726 -3.982 1.00 0.00 C ATOM 762 CG LEU A 202 -5.436 1.343 -3.873 1.00 0.00 C ATOM 763 CD1 LEU A 202 -4.832 0.563 -2.715 1.00 0.00 C ATOM 764 CD2 LEU A 202 -6.943 1.469 -3.704 1.00 0.00 C ATOM 0 H LEU A 202 -4.638 2.271 -6.407 1.00 0.00 H new ATOM 0 HA LEU A 202 -6.454 3.791 -4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -3.732 2.595 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -4.858 3.213 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 202 -5.238 0.797 -4.795 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -5.302 -0.418 -2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -3.761 0.442 -2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -4.999 1.105 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -7.385 0.476 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -7.162 2.034 -2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 202 -7.364 1.988 -4.565 1.00 0.00 H new ATOM 776 N PRO A 203 -5.216 5.883 -4.043 1.00 0.00 N ATOM 777 CA PRO A 203 -4.676 7.231 -3.843 1.00 0.00 C ATOM 778 C PRO A 203 -3.290 7.213 -3.209 1.00 0.00 C ATOM 779 O PRO A 203 -2.645 6.167 -3.133 1.00 0.00 O ATOM 780 CB PRO A 203 -5.689 7.882 -2.897 1.00 0.00 C ATOM 781 CG PRO A 203 -6.313 6.742 -2.168 1.00 0.00 C ATOM 782 CD PRO A 203 -6.344 5.596 -3.141 1.00 0.00 C ATOM 0 HA PRO A 203 -4.549 7.763 -4.786 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -5.201 8.573 -2.209 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -6.434 8.455 -3.449 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -5.736 6.484 -1.280 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -7.318 6.997 -1.833 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -6.221 4.637 -2.637 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -7.290 5.553 -3.681 1.00 0.00 H new ATOM 790 N HIS A 204 -2.837 8.377 -2.753 1.00 0.00 N ATOM 791 CA HIS A 204 -1.526 8.493 -2.124 1.00 0.00 C ATOM 792 C HIS A 204 -1.634 8.332 -0.611 1.00 0.00 C ATOM 793 O HIS A 204 -0.731 7.795 0.032 1.00 0.00 O ATOM 794 CB HIS A 204 -0.894 9.844 -2.460 1.00 0.00 C ATOM 795 CG HIS A 204 0.253 10.208 -1.568 1.00 0.00 C ATOM 796 ND1 HIS A 204 0.211 11.264 -0.682 1.00 0.00 N ATOM 797 CD2 HIS A 204 1.477 9.648 -1.427 1.00 0.00 C ATOM 798 CE1 HIS A 204 1.361 11.339 -0.036 1.00 0.00 C ATOM 799 NE2 HIS A 204 2.146 10.369 -0.469 1.00 0.00 N ATOM 0 H HIS A 204 -3.358 9.252 -2.807 1.00 0.00 H new ATOM 0 HA HIS A 204 -0.892 7.696 -2.513 1.00 0.00 H new ATOM 0 HB2 HIS A 204 -0.548 9.827 -3.494 1.00 0.00 H new ATOM 0 HB3 HIS A 204 -1.657 10.620 -2.392 1.00 0.00 H new ATOM 0 HD2 HIS A 204 1.857 8.793 -1.967 1.00 0.00 H new ATOM 0 HE1 HIS A 204 1.616 12.069 0.718 1.00 0.00 H new ATOM 0 HE2 HIS A 204 3.095 10.185 -0.144 1.00 0.00 H new ATOM 807 N ARG A 205 -2.743 8.800 -0.048 1.00 0.00 N ATOM 808 CA ARG A 205 -2.967 8.709 1.390 1.00 0.00 C ATOM 809 C ARG A 205 -2.915 7.258 1.857 1.00 0.00 C ATOM 810 O ARG A 205 -2.190 6.922 2.795 1.00 0.00 O ATOM 811 CB ARG A 205 -4.318 9.326 1.757 1.00 0.00 C ATOM 812 CG ARG A 205 -4.701 9.131 3.215 1.00 0.00 C ATOM 813 CD ARG A 205 -4.065 10.188 4.104 1.00 0.00 C ATOM 814 NE ARG A 205 -4.636 11.512 3.874 1.00 0.00 N ATOM 815 CZ ARG A 205 -4.217 12.611 4.492 1.00 0.00 C ATOM 816 NH1 ARG A 205 -3.227 12.544 5.372 1.00 0.00 N ATOM 817 NH2 ARG A 205 -4.787 13.780 4.229 1.00 0.00 N ATOM 0 H ARG A 205 -3.500 9.246 -0.566 1.00 0.00 H new ATOM 0 HA ARG A 205 -2.174 9.263 1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 205 -4.292 10.393 1.537 1.00 0.00 H new ATOM 0 HB3 ARG A 205 -5.091 8.889 1.125 1.00 0.00 H new ATOM 0 HG2 ARG A 205 -5.785 9.173 3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 205 -4.388 8.140 3.545 1.00 0.00 H new ATOM 0 HD2 ARG A 205 -4.200 9.911 5.150 1.00 0.00 H new ATOM 0 HD3 ARG A 205 -2.991 10.219 3.919 1.00 0.00 H new ATOM 0 HE ARG A 205 -5.398 11.598 3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 205 -2.785 11.647 5.576 1.00 0.00 H new ATOM 0 HH12 ARG A 205 -2.907 13.389 5.845 1.00 0.00 H new ATOM 0 HH21 ARG A 205 -5.548 13.836 3.552 1.00 0.00 H new ATOM 0 HH22 ARG A 205 -4.464 14.623 4.704 1.00 0.00 H new ATOM 831 N LEU A 206 -3.688 6.401 1.199 1.00 0.00 N ATOM 832 CA LEU A 206 -3.731 4.985 1.547 1.00 0.00 C ATOM 833 C LEU A 206 -2.357 4.343 1.383 1.00 0.00 C ATOM 834 O LEU A 206 -1.780 3.831 2.343 1.00 0.00 O ATOM 835 CB LEU A 206 -4.755 4.256 0.676 1.00 0.00 C ATOM 836 CG LEU A 206 -6.193 4.245 1.197 1.00 0.00 C ATOM 837 CD1 LEU A 206 -6.271 3.520 2.532 1.00 0.00 C ATOM 838 CD2 LEU A 206 -6.724 5.665 1.327 1.00 0.00 C ATOM 0 H LEU A 206 -4.294 6.662 0.421 1.00 0.00 H new ATOM 0 HA LEU A 206 -4.029 4.902 2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 206 -4.752 4.713 -0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 206 -4.427 3.224 0.551 1.00 0.00 H new ATOM 0 HG LEU A 206 -6.815 3.710 0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 206 -7.301 3.522 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 206 -5.932 2.492 2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 206 -5.636 4.026 3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 206 -7.748 5.638 1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 206 -6.100 6.225 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 206 -6.705 6.151 0.352 1.00 0.00 H new ATOM 850 N LEU A 207 -1.838 4.374 0.161 1.00 0.00 N ATOM 851 CA LEU A 207 -0.530 3.797 -0.130 1.00 0.00 C ATOM 852 C LEU A 207 0.507 4.258 0.889 1.00 0.00 C ATOM 853 O LEU A 207 1.208 3.443 1.490 1.00 0.00 O ATOM 854 CB LEU A 207 -0.082 4.182 -1.541 1.00 0.00 C ATOM 855 CG LEU A 207 1.385 3.913 -1.877 1.00 0.00 C ATOM 856 CD1 LEU A 207 1.614 2.430 -2.122 1.00 0.00 C ATOM 857 CD2 LEU A 207 1.812 4.728 -3.089 1.00 0.00 C ATOM 0 H LEU A 207 -2.303 4.793 -0.645 1.00 0.00 H new ATOM 0 HA LEU A 207 -0.617 2.712 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 207 -0.702 3.643 -2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 207 -0.278 5.244 -1.685 1.00 0.00 H new ATOM 0 HG LEU A 207 1.994 4.217 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 207 2.664 2.258 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 207 1.348 1.868 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 207 0.994 2.099 -2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 207 2.859 4.524 -3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 207 1.197 4.455 -3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 207 1.687 5.790 -2.876 1.00 0.00 H new ATOM 869 N THR A 208 0.599 5.570 1.079 1.00 0.00 N ATOM 870 CA THR A 208 1.550 6.140 2.026 1.00 0.00 C ATOM 871 C THR A 208 1.453 5.453 3.383 1.00 0.00 C ATOM 872 O THR A 208 2.459 5.011 3.938 1.00 0.00 O ATOM 873 CB THR A 208 1.320 7.652 2.211 1.00 0.00 C ATOM 874 OG1 THR A 208 1.851 8.369 1.091 1.00 0.00 O ATOM 875 CG2 THR A 208 1.974 8.146 3.493 1.00 0.00 C ATOM 0 H THR A 208 0.027 6.258 0.590 1.00 0.00 H new ATOM 0 HA THR A 208 2.545 5.979 1.611 1.00 0.00 H new ATOM 0 HB THR A 208 0.246 7.828 2.278 1.00 0.00 H new ATOM 0 HG1 THR A 208 1.778 9.332 1.255 1.00 0.00 H new ATOM 0 HG21 THR A 208 1.798 9.216 3.602 1.00 0.00 H new ATOM 0 HG22 THR A 208 1.546 7.619 4.346 1.00 0.00 H new ATOM 0 HG23 THR A 208 3.047 7.957 3.450 1.00 0.00 H new ATOM 883 N ASP A 209 0.238 5.366 3.912 1.00 0.00 N ATOM 884 CA ASP A 209 0.010 4.731 5.205 1.00 0.00 C ATOM 885 C ASP A 209 0.610 3.328 5.234 1.00 0.00 C ATOM 886 O ASP A 209 1.472 3.029 6.061 1.00 0.00 O ATOM 887 CB ASP A 209 -1.487 4.664 5.507 1.00 0.00 C ATOM 888 CG ASP A 209 -1.982 5.889 6.252 1.00 0.00 C ATOM 889 OD1 ASP A 209 -1.819 5.937 7.488 1.00 0.00 O ATOM 890 OD2 ASP A 209 -2.534 6.798 5.597 1.00 0.00 O ATOM 0 H ASP A 209 -0.605 5.727 3.465 1.00 0.00 H new ATOM 0 HA ASP A 209 0.501 5.333 5.970 1.00 0.00 H new ATOM 0 HB2 ASP A 209 -2.039 4.563 4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 209 -1.696 3.773 6.099 1.00 0.00 H new ATOM 895 N ILE A 210 0.148 2.474 4.328 1.00 0.00 N ATOM 896 CA ILE A 210 0.640 1.104 4.250 1.00 0.00 C ATOM 897 C ILE A 210 2.156 1.054 4.403 1.00 0.00 C ATOM 898 O ILE A 210 2.678 0.384 5.295 1.00 0.00 O ATOM 899 CB ILE A 210 0.248 0.439 2.917 1.00 0.00 C ATOM 900 CG1 ILE A 210 -1.255 0.151 2.888 1.00 0.00 C ATOM 901 CG2 ILE A 210 1.042 -0.841 2.709 1.00 0.00 C ATOM 902 CD1 ILE A 210 -1.848 0.176 1.497 1.00 0.00 C ATOM 0 H ILE A 210 -0.566 2.706 3.638 1.00 0.00 H new ATOM 0 HA ILE A 210 0.176 0.556 5.070 1.00 0.00 H new ATOM 0 HB ILE A 210 0.483 1.125 2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 210 -1.438 -0.826 3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 210 -1.770 0.886 3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.753 -1.299 1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 210 2.107 -0.610 2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 210 0.836 -1.534 3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 210 -2.916 -0.036 1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -1.696 1.161 1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -1.360 -0.578 0.880 1.00 0.00 H new ATOM 914 N ILE A 211 2.857 1.768 3.530 1.00 0.00 N ATOM 915 CA ILE A 211 4.314 1.808 3.570 1.00 0.00 C ATOM 916 C ILE A 211 4.810 2.478 4.847 1.00 0.00 C ATOM 917 O ILE A 211 5.881 2.149 5.357 1.00 0.00 O ATOM 918 CB ILE A 211 4.890 2.556 2.354 1.00 0.00 C ATOM 919 CG1 ILE A 211 4.517 4.038 2.414 1.00 0.00 C ATOM 920 CG2 ILE A 211 4.389 1.930 1.061 1.00 0.00 C ATOM 921 CD1 ILE A 211 5.335 4.906 1.484 1.00 0.00 C ATOM 0 H ILE A 211 2.440 2.327 2.786 1.00 0.00 H new ATOM 0 HA ILE A 211 4.659 0.774 3.547 1.00 0.00 H new ATOM 0 HB ILE A 211 5.977 2.474 2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 211 3.461 4.149 2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 211 4.644 4.395 3.436 1.00 0.00 H new ATOM 0 HG21 ILE A 211 4.805 2.470 0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 211 4.702 0.887 1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 211 3.301 1.984 1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 211 5.016 5.944 1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 211 6.390 4.825 1.745 1.00 0.00 H new ATOM 0 HD13 ILE A 211 5.189 4.575 0.456 1.00 0.00 H new ATOM 933 N SER A 212 4.023 3.419 5.359 1.00 0.00 N ATOM 934 CA SER A 212 4.384 4.138 6.576 1.00 0.00 C ATOM 935 C SER A 212 4.420 3.194 7.774 1.00 0.00 C ATOM 936 O SER A 212 5.118 3.446 8.756 1.00 0.00 O ATOM 937 CB SER A 212 3.391 5.273 6.836 1.00 0.00 C ATOM 938 OG SER A 212 3.804 6.070 7.932 1.00 0.00 O ATOM 0 H SER A 212 3.132 3.701 4.951 1.00 0.00 H new ATOM 0 HA SER A 212 5.380 4.560 6.438 1.00 0.00 H new ATOM 0 HB2 SER A 212 3.301 5.893 5.944 1.00 0.00 H new ATOM 0 HB3 SER A 212 2.403 4.858 7.036 1.00 0.00 H new ATOM 0 HG SER A 212 3.154 6.789 8.077 1.00 0.00 H new ATOM 944 N ASP A 213 3.663 2.106 7.684 1.00 0.00 N ATOM 945 CA ASP A 213 3.609 1.122 8.760 1.00 0.00 C ATOM 946 C ASP A 213 4.772 0.140 8.658 1.00 0.00 C ATOM 947 O ASP A 213 4.985 -0.680 9.549 1.00 0.00 O ATOM 948 CB ASP A 213 2.281 0.364 8.719 1.00 0.00 C ATOM 949 CG ASP A 213 1.926 -0.254 10.057 1.00 0.00 C ATOM 950 OD1 ASP A 213 2.701 -1.105 10.542 1.00 0.00 O ATOM 951 OD2 ASP A 213 0.874 0.114 10.620 1.00 0.00 O ATOM 0 H ASP A 213 3.079 1.883 6.878 1.00 0.00 H new ATOM 0 HA ASP A 213 3.688 1.653 9.709 1.00 0.00 H new ATOM 0 HB2 ASP A 213 1.486 1.045 8.414 1.00 0.00 H new ATOM 0 HB3 ASP A 213 2.336 -0.420 7.963 1.00 0.00 H new ATOM 956 N GLY A 214 5.522 0.231 7.564 1.00 0.00 N ATOM 957 CA GLY A 214 6.654 -0.656 7.365 1.00 0.00 C ATOM 958 C GLY A 214 6.368 -1.741 6.345 1.00 0.00 C ATOM 959 O GLY A 214 5.283 -2.323 6.334 1.00 0.00 O ATOM 0 H GLY A 214 5.366 0.903 6.812 1.00 0.00 H new ATOM 0 HA2 GLY A 214 7.515 -0.073 7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 214 6.922 -1.117 8.316 1.00 0.00 H new ATOM 963 N VAL A 215 7.344 -2.013 5.484 1.00 0.00 N ATOM 964 CA VAL A 215 7.192 -3.035 4.455 1.00 0.00 C ATOM 965 C VAL A 215 8.341 -4.036 4.501 1.00 0.00 C ATOM 966 O VAL A 215 9.516 -3.670 4.522 1.00 0.00 O ATOM 967 CB VAL A 215 7.127 -2.409 3.049 1.00 0.00 C ATOM 968 CG1 VAL A 215 7.166 -3.492 1.981 1.00 0.00 C ATOM 969 CG2 VAL A 215 5.879 -1.552 2.905 1.00 0.00 C ATOM 0 H VAL A 215 8.248 -1.540 5.479 1.00 0.00 H new ATOM 0 HA VAL A 215 6.255 -3.553 4.658 1.00 0.00 H new ATOM 0 HB VAL A 215 7.998 -1.767 2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 215 7.119 -3.032 0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 215 8.092 -4.060 2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 215 6.315 -4.161 2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 215 5.849 -1.118 1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 215 4.994 -2.169 3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 215 5.898 -0.754 3.647 1.00 0.00 H new ATOM 979 N PRO A 216 7.996 -5.332 4.518 1.00 0.00 N ATOM 980 CA PRO A 216 8.984 -6.414 4.561 1.00 0.00 C ATOM 981 C PRO A 216 9.765 -6.538 3.257 1.00 0.00 C ATOM 982 O PRO A 216 9.184 -6.754 2.193 1.00 0.00 O ATOM 983 CB PRO A 216 8.132 -7.664 4.795 1.00 0.00 C ATOM 984 CG PRO A 216 6.790 -7.314 4.251 1.00 0.00 C ATOM 985 CD PRO A 216 6.614 -5.841 4.496 1.00 0.00 C ATOM 0 HA PRO A 216 9.739 -6.246 5.329 1.00 0.00 H new ATOM 0 HB2 PRO A 216 8.552 -8.531 4.285 1.00 0.00 H new ATOM 0 HB3 PRO A 216 8.077 -7.913 5.855 1.00 0.00 H new ATOM 0 HG2 PRO A 216 6.729 -7.542 3.187 1.00 0.00 H new ATOM 0 HG3 PRO A 216 6.007 -7.888 4.746 1.00 0.00 H new ATOM 0 HD2 PRO A 216 6.025 -5.370 3.709 1.00 0.00 H new ATOM 0 HD3 PRO A 216 6.100 -5.649 5.438 1.00 0.00 H new ATOM 993 N CYS A 217 11.083 -6.399 3.347 1.00 0.00 N ATOM 994 CA CYS A 217 11.944 -6.496 2.173 1.00 0.00 C ATOM 995 C CYS A 217 11.397 -7.515 1.180 1.00 0.00 C ATOM 996 O CYS A 217 11.467 -7.315 -0.033 1.00 0.00 O ATOM 997 CB CYS A 217 13.365 -6.881 2.588 1.00 0.00 C ATOM 998 SG CYS A 217 13.477 -8.463 3.456 1.00 0.00 S ATOM 0 H CYS A 217 11.579 -6.219 4.220 1.00 0.00 H new ATOM 0 HA CYS A 217 11.967 -5.520 1.688 1.00 0.00 H new ATOM 0 HB2 CYS A 217 13.993 -6.922 1.698 1.00 0.00 H new ATOM 0 HB3 CYS A 217 13.770 -6.098 3.229 1.00 0.00 H new ATOM 0 HG CYS A 217 14.717 -8.702 3.764 1.00 0.00 H new ATOM 1004 N SER A 218 10.853 -8.610 1.703 1.00 0.00 N ATOM 1005 CA SER A 218 10.298 -9.664 0.861 1.00 0.00 C ATOM 1006 C SER A 218 9.480 -9.073 -0.282 1.00 0.00 C ATOM 1007 O SER A 218 9.660 -9.441 -1.443 1.00 0.00 O ATOM 1008 CB SER A 218 9.426 -10.605 1.695 1.00 0.00 C ATOM 1009 OG SER A 218 10.221 -11.471 2.486 1.00 0.00 O ATOM 0 H SER A 218 10.785 -8.790 2.705 1.00 0.00 H new ATOM 0 HA SER A 218 11.127 -10.230 0.435 1.00 0.00 H new ATOM 0 HB2 SER A 218 8.768 -10.021 2.339 1.00 0.00 H new ATOM 0 HB3 SER A 218 8.787 -11.193 1.036 1.00 0.00 H new ATOM 0 HG SER A 218 9.640 -12.061 3.010 1.00 0.00 H new ATOM 1015 N GLN A 219 8.581 -8.154 0.056 1.00 0.00 N ATOM 1016 CA GLN A 219 7.733 -7.512 -0.943 1.00 0.00 C ATOM 1017 C GLN A 219 8.375 -6.228 -1.456 1.00 0.00 C ATOM 1018 O GLN A 219 8.238 -5.168 -0.847 1.00 0.00 O ATOM 1019 CB GLN A 219 6.355 -7.207 -0.353 1.00 0.00 C ATOM 1020 CG GLN A 219 5.391 -8.380 -0.422 1.00 0.00 C ATOM 1021 CD GLN A 219 5.911 -9.607 0.300 1.00 0.00 C ATOM 1022 OE1 GLN A 219 6.678 -9.500 1.257 1.00 0.00 O ATOM 1023 NE2 GLN A 219 5.496 -10.783 -0.157 1.00 0.00 N ATOM 0 H GLN A 219 8.421 -7.837 1.012 1.00 0.00 H new ATOM 0 HA GLN A 219 7.617 -8.199 -1.781 1.00 0.00 H new ATOM 0 HB2 GLN A 219 6.473 -6.905 0.688 1.00 0.00 H new ATOM 0 HB3 GLN A 219 5.921 -6.359 -0.883 1.00 0.00 H new ATOM 0 HG2 GLN A 219 4.435 -8.086 0.012 1.00 0.00 H new ATOM 0 HG3 GLN A 219 5.203 -8.630 -1.466 1.00 0.00 H new ATOM 0 HE21 GLN A 219 4.860 -10.825 -0.953 1.00 0.00 H new ATOM 0 HE22 GLN A 219 5.813 -11.644 0.288 1.00 0.00 H new ATOM 1032 N ASN A 220 9.077 -6.331 -2.580 1.00 0.00 N ATOM 1033 CA ASN A 220 9.741 -5.177 -3.175 1.00 0.00 C ATOM 1034 C ASN A 220 8.863 -3.933 -3.076 1.00 0.00 C ATOM 1035 O ASN A 220 7.926 -3.741 -3.851 1.00 0.00 O ATOM 1036 CB ASN A 220 10.083 -5.458 -4.640 1.00 0.00 C ATOM 1037 CG ASN A 220 10.905 -6.722 -4.809 1.00 0.00 C ATOM 1038 OD1 ASN A 220 12.124 -6.709 -4.642 1.00 0.00 O ATOM 1039 ND2 ASN A 220 10.238 -7.820 -5.144 1.00 0.00 N ATOM 0 H ASN A 220 9.201 -7.202 -3.097 1.00 0.00 H new ATOM 0 HA ASN A 220 10.663 -4.995 -2.622 1.00 0.00 H new ATOM 0 HB2 ASN A 220 9.161 -5.548 -5.215 1.00 0.00 H new ATOM 0 HB3 ASN A 220 10.634 -4.612 -5.051 1.00 0.00 H new ATOM 0 HD21 ASN A 220 10.737 -8.700 -5.273 1.00 0.00 H new ATOM 0 HD22 ASN A 220 9.227 -7.783 -5.272 1.00 0.00 H new ATOM 1046 N PRO A 221 9.173 -3.066 -2.101 1.00 0.00 N ATOM 1047 CA PRO A 221 8.425 -1.825 -1.878 1.00 0.00 C ATOM 1048 C PRO A 221 8.650 -0.806 -2.989 1.00 0.00 C ATOM 1049 O PRO A 221 7.697 -0.265 -3.552 1.00 0.00 O ATOM 1050 CB PRO A 221 8.989 -1.305 -0.553 1.00 0.00 C ATOM 1051 CG PRO A 221 10.357 -1.888 -0.468 1.00 0.00 C ATOM 1052 CD PRO A 221 10.277 -3.231 -1.141 1.00 0.00 C ATOM 0 HA PRO A 221 7.348 -1.995 -1.862 1.00 0.00 H new ATOM 0 HB2 PRO A 221 9.021 -0.216 -0.537 1.00 0.00 H new ATOM 0 HB3 PRO A 221 8.372 -1.618 0.290 1.00 0.00 H new ATOM 0 HG2 PRO A 221 11.086 -1.246 -0.963 1.00 0.00 H new ATOM 0 HG3 PRO A 221 10.674 -1.990 0.570 1.00 0.00 H new ATOM 0 HD2 PRO A 221 11.211 -3.486 -1.642 1.00 0.00 H new ATOM 0 HD3 PRO A 221 10.072 -4.027 -0.426 1.00 0.00 H new ATOM 1060 N THR A 222 9.916 -0.546 -3.301 1.00 0.00 N ATOM 1061 CA THR A 222 10.266 0.409 -4.345 1.00 0.00 C ATOM 1062 C THR A 222 9.535 0.094 -5.645 1.00 0.00 C ATOM 1063 O THR A 222 8.909 0.969 -6.243 1.00 0.00 O ATOM 1064 CB THR A 222 11.783 0.420 -4.611 1.00 0.00 C ATOM 1065 OG1 THR A 222 12.202 -0.854 -5.111 1.00 0.00 O ATOM 1066 CG2 THR A 222 12.552 0.750 -3.341 1.00 0.00 C ATOM 0 H THR A 222 10.716 -0.984 -2.845 1.00 0.00 H new ATOM 0 HA THR A 222 9.961 1.393 -3.989 1.00 0.00 H new ATOM 0 HB THR A 222 11.994 1.188 -5.355 1.00 0.00 H new ATOM 0 HG1 THR A 222 13.167 -0.838 -5.279 1.00 0.00 H new ATOM 0 HG21 THR A 222 13.621 0.752 -3.553 1.00 0.00 H new ATOM 0 HG22 THR A 222 12.252 1.733 -2.979 1.00 0.00 H new ATOM 0 HG23 THR A 222 12.335 0.001 -2.579 1.00 0.00 H new ATOM 1074 N GLU A 223 9.621 -1.160 -6.078 1.00 0.00 N ATOM 1075 CA GLU A 223 8.967 -1.589 -7.309 1.00 0.00 C ATOM 1076 C GLU A 223 7.543 -1.045 -7.387 1.00 0.00 C ATOM 1077 O GLU A 223 7.156 -0.431 -8.380 1.00 0.00 O ATOM 1078 CB GLU A 223 8.947 -3.116 -7.396 1.00 0.00 C ATOM 1079 CG GLU A 223 10.206 -3.707 -8.007 1.00 0.00 C ATOM 1080 CD GLU A 223 10.015 -5.140 -8.466 1.00 0.00 C ATOM 1081 OE1 GLU A 223 9.283 -5.353 -9.455 1.00 0.00 O ATOM 1082 OE2 GLU A 223 10.596 -6.048 -7.836 1.00 0.00 O ATOM 0 H GLU A 223 10.137 -1.896 -5.595 1.00 0.00 H new ATOM 0 HA GLU A 223 9.535 -1.192 -8.150 1.00 0.00 H new ATOM 0 HB2 GLU A 223 8.811 -3.527 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 223 8.086 -3.427 -7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 223 10.515 -3.096 -8.855 1.00 0.00 H new ATOM 0 HG3 GLU A 223 11.013 -3.668 -7.275 1.00 0.00 H new ATOM 1089 N ALA A 224 6.769 -1.276 -6.332 1.00 0.00 N ATOM 1090 CA ALA A 224 5.390 -0.809 -6.279 1.00 0.00 C ATOM 1091 C ALA A 224 5.319 0.709 -6.407 1.00 0.00 C ATOM 1092 O ALA A 224 4.432 1.244 -7.073 1.00 0.00 O ATOM 1093 CB ALA A 224 4.727 -1.263 -4.987 1.00 0.00 C ATOM 0 H ALA A 224 7.074 -1.784 -5.502 1.00 0.00 H new ATOM 0 HA ALA A 224 4.853 -1.244 -7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 224 3.697 -0.907 -4.962 1.00 0.00 H new ATOM 0 HB2 ALA A 224 4.735 -2.352 -4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 224 5.273 -0.856 -4.136 1.00 0.00 H new ATOM 1099 N ILE A 225 6.258 1.397 -5.766 1.00 0.00 N ATOM 1100 CA ILE A 225 6.301 2.853 -5.809 1.00 0.00 C ATOM 1101 C ILE A 225 6.473 3.356 -7.239 1.00 0.00 C ATOM 1102 O ILE A 225 5.702 4.191 -7.710 1.00 0.00 O ATOM 1103 CB ILE A 225 7.445 3.408 -4.940 1.00 0.00 C ATOM 1104 CG1 ILE A 225 7.271 2.965 -3.486 1.00 0.00 C ATOM 1105 CG2 ILE A 225 7.494 4.926 -5.035 1.00 0.00 C ATOM 1106 CD1 ILE A 225 8.381 3.439 -2.574 1.00 0.00 C ATOM 0 H ILE A 225 6.999 0.969 -5.211 1.00 0.00 H new ATOM 0 HA ILE A 225 5.350 3.209 -5.413 1.00 0.00 H new ATOM 0 HB ILE A 225 8.389 3.010 -5.311 1.00 0.00 H new ATOM 0 HG12 ILE A 225 6.319 3.340 -3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 225 7.221 1.877 -3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 225 8.308 5.303 -4.415 1.00 0.00 H new ATOM 0 HG22 ILE A 225 7.660 5.221 -6.071 1.00 0.00 H new ATOM 0 HG23 ILE A 225 6.549 5.343 -4.687 1.00 0.00 H new ATOM 0 HD11 ILE A 225 8.193 3.089 -1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 225 9.334 3.042 -2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 225 8.417 4.528 -2.581 1.00 0.00 H new ATOM 1118 N GLU A 226 7.489 2.839 -7.924 1.00 0.00 N ATOM 1119 CA GLU A 226 7.761 3.235 -9.300 1.00 0.00 C ATOM 1120 C GLU A 226 6.523 3.053 -10.174 1.00 0.00 C ATOM 1121 O GLU A 226 6.187 3.919 -10.981 1.00 0.00 O ATOM 1122 CB GLU A 226 8.924 2.420 -9.869 1.00 0.00 C ATOM 1123 CG GLU A 226 10.175 2.461 -9.007 1.00 0.00 C ATOM 1124 CD GLU A 226 11.427 2.089 -9.777 1.00 0.00 C ATOM 1125 OE1 GLU A 226 11.399 2.161 -11.024 1.00 0.00 O ATOM 1126 OE2 GLU A 226 12.433 1.725 -9.134 1.00 0.00 O ATOM 0 H GLU A 226 8.136 2.146 -7.548 1.00 0.00 H new ATOM 0 HA GLU A 226 8.032 4.291 -9.300 1.00 0.00 H new ATOM 0 HB2 GLU A 226 8.607 1.384 -9.986 1.00 0.00 H new ATOM 0 HB3 GLU A 226 9.166 2.794 -10.864 1.00 0.00 H new ATOM 0 HG2 GLU A 226 10.293 3.462 -8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 226 10.054 1.779 -8.166 1.00 0.00 H new ATOM 1133 N ALA A 227 5.849 1.920 -10.006 1.00 0.00 N ATOM 1134 CA ALA A 227 4.648 1.624 -10.777 1.00 0.00 C ATOM 1135 C ALA A 227 3.512 2.572 -10.410 1.00 0.00 C ATOM 1136 O ALA A 227 3.108 3.412 -11.214 1.00 0.00 O ATOM 1137 CB ALA A 227 4.224 0.179 -10.559 1.00 0.00 C ATOM 0 H ALA A 227 6.114 1.192 -9.343 1.00 0.00 H new ATOM 0 HA ALA A 227 4.879 1.768 -11.832 1.00 0.00 H new ATOM 0 HB1 ALA A 227 3.326 -0.028 -11.141 1.00 0.00 H new ATOM 0 HB2 ALA A 227 5.025 -0.487 -10.879 1.00 0.00 H new ATOM 0 HB3 ALA A 227 4.017 0.016 -9.501 1.00 0.00 H new ATOM 1143 N TRP A 228 3.002 2.432 -9.192 1.00 0.00 N ATOM 1144 CA TRP A 228 1.911 3.277 -8.719 1.00 0.00 C ATOM 1145 C TRP A 228 2.110 4.722 -9.161 1.00 0.00 C ATOM 1146 O TRP A 228 1.144 5.444 -9.409 1.00 0.00 O ATOM 1147 CB TRP A 228 1.808 3.206 -7.194 1.00 0.00 C ATOM 1148 CG TRP A 228 0.641 3.968 -6.642 1.00 0.00 C ATOM 1149 CD1 TRP A 228 -0.522 3.445 -6.154 1.00 0.00 C ATOM 1150 CD2 TRP A 228 0.525 5.390 -6.523 1.00 0.00 C ATOM 1151 NE1 TRP A 228 -1.354 4.456 -5.739 1.00 0.00 N ATOM 1152 CE2 TRP A 228 -0.735 5.659 -5.953 1.00 0.00 C ATOM 1153 CE3 TRP A 228 1.364 6.462 -6.840 1.00 0.00 C ATOM 1154 CZ2 TRP A 228 -1.174 6.955 -5.697 1.00 0.00 C ATOM 1155 CZ3 TRP A 228 0.927 7.748 -6.585 1.00 0.00 C ATOM 1156 CH2 TRP A 228 -0.332 7.986 -6.017 1.00 0.00 C ATOM 0 H TRP A 228 3.326 1.742 -8.514 1.00 0.00 H new ATOM 0 HA TRP A 228 0.983 2.908 -9.156 1.00 0.00 H new ATOM 0 HB2 TRP A 228 1.728 2.162 -6.890 1.00 0.00 H new ATOM 0 HB3 TRP A 228 2.727 3.595 -6.756 1.00 0.00 H new ATOM 0 HD1 TRP A 228 -0.754 2.391 -6.102 1.00 0.00 H new ATOM 0 HE1 TRP A 228 -2.283 4.331 -5.336 1.00 0.00 H new ATOM 0 HE3 TRP A 228 2.337 6.288 -7.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 228 -2.145 7.141 -5.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 228 1.567 8.584 -6.828 1.00 0.00 H new ATOM 0 HH2 TRP A 228 -0.644 9.003 -5.828 1.00 0.00 H new ATOM 1167 N ILE A 229 3.369 5.138 -9.257 1.00 0.00 N ATOM 1168 CA ILE A 229 3.693 6.498 -9.671 1.00 0.00 C ATOM 1169 C ILE A 229 3.678 6.629 -11.190 1.00 0.00 C ATOM 1170 O ILE A 229 3.096 7.564 -11.737 1.00 0.00 O ATOM 1171 CB ILE A 229 5.074 6.932 -9.143 1.00 0.00 C ATOM 1172 CG1 ILE A 229 4.973 7.352 -7.675 1.00 0.00 C ATOM 1173 CG2 ILE A 229 5.630 8.069 -9.988 1.00 0.00 C ATOM 1174 CD1 ILE A 229 4.467 8.764 -7.484 1.00 0.00 C ATOM 0 H ILE A 229 4.180 4.554 -9.054 1.00 0.00 H new ATOM 0 HA ILE A 229 2.929 7.148 -9.246 1.00 0.00 H new ATOM 0 HB ILE A 229 5.757 6.085 -9.213 1.00 0.00 H new ATOM 0 HG12 ILE A 229 4.309 6.663 -7.153 1.00 0.00 H new ATOM 0 HG13 ILE A 229 5.955 7.261 -7.211 1.00 0.00 H new ATOM 0 HG21 ILE A 229 6.606 8.365 -9.603 1.00 0.00 H new ATOM 0 HG22 ILE A 229 5.733 7.738 -11.021 1.00 0.00 H new ATOM 0 HG23 ILE A 229 4.950 8.920 -9.946 1.00 0.00 H new ATOM 0 HD11 ILE A 229 4.421 8.993 -6.419 1.00 0.00 H new ATOM 0 HD12 ILE A 229 5.143 9.463 -7.977 1.00 0.00 H new ATOM 0 HD13 ILE A 229 3.471 8.856 -7.918 1.00 0.00 H new ATOM 1186 N ASN A 230 4.321 5.682 -11.867 1.00 0.00 N ATOM 1187 CA ASN A 230 4.381 5.691 -13.324 1.00 0.00 C ATOM 1188 C ASN A 230 3.005 5.963 -13.923 1.00 0.00 C ATOM 1189 O ASN A 230 2.883 6.636 -14.947 1.00 0.00 O ATOM 1190 CB ASN A 230 4.920 4.355 -13.841 1.00 0.00 C ATOM 1191 CG ASN A 230 4.446 4.046 -15.248 1.00 0.00 C ATOM 1192 OD1 ASN A 230 4.962 4.593 -16.223 1.00 0.00 O ATOM 1193 ND2 ASN A 230 3.457 3.167 -15.359 1.00 0.00 N ATOM 0 H ASN A 230 4.807 4.899 -11.430 1.00 0.00 H new ATOM 0 HA ASN A 230 5.056 6.490 -13.630 1.00 0.00 H new ATOM 0 HB2 ASN A 230 6.010 4.375 -13.824 1.00 0.00 H new ATOM 0 HB3 ASN A 230 4.605 3.555 -13.171 1.00 0.00 H new ATOM 0 HD21 ASN A 230 3.095 2.920 -16.280 1.00 0.00 H new ATOM 0 HD22 ASN A 230 3.059 2.738 -14.523 1.00 0.00 H new ATOM 1200 N PHE A 231 1.970 5.435 -13.277 1.00 0.00 N ATOM 1201 CA PHE A 231 0.601 5.621 -13.746 1.00 0.00 C ATOM 1202 C PHE A 231 0.391 7.040 -14.264 1.00 0.00 C ATOM 1203 O PHE A 231 0.056 7.243 -15.430 1.00 0.00 O ATOM 1204 CB PHE A 231 -0.391 5.325 -12.619 1.00 0.00 C ATOM 1205 CG PHE A 231 -1.768 4.980 -13.108 1.00 0.00 C ATOM 1206 CD1 PHE A 231 -2.569 5.944 -13.700 1.00 0.00 C ATOM 1207 CD2 PHE A 231 -2.262 3.693 -12.976 1.00 0.00 C ATOM 1208 CE1 PHE A 231 -3.837 5.630 -14.151 1.00 0.00 C ATOM 1209 CE2 PHE A 231 -3.529 3.372 -13.426 1.00 0.00 C ATOM 1210 CZ PHE A 231 -4.318 4.342 -14.013 1.00 0.00 C ATOM 0 H PHE A 231 2.053 4.876 -12.428 1.00 0.00 H new ATOM 0 HA PHE A 231 0.427 4.925 -14.566 1.00 0.00 H new ATOM 0 HB2 PHE A 231 -0.010 4.499 -12.018 1.00 0.00 H new ATOM 0 HB3 PHE A 231 -0.454 6.194 -11.964 1.00 0.00 H new ATOM 0 HD1 PHE A 231 -2.198 6.952 -13.810 1.00 0.00 H new ATOM 0 HD2 PHE A 231 -1.650 2.931 -12.516 1.00 0.00 H new ATOM 0 HE1 PHE A 231 -4.451 6.390 -14.611 1.00 0.00 H new ATOM 0 HE2 PHE A 231 -3.902 2.364 -13.319 1.00 0.00 H new ATOM 0 HZ PHE A 231 -5.309 4.094 -14.363 1.00 0.00 H new ATOM 1220 N ASN A 232 0.591 8.019 -13.388 1.00 0.00 N ATOM 1221 CA ASN A 232 0.423 9.421 -13.756 1.00 0.00 C ATOM 1222 C ASN A 232 1.611 10.253 -13.285 1.00 0.00 C ATOM 1223 O ASN A 232 1.460 11.418 -12.916 1.00 0.00 O ATOM 1224 CB ASN A 232 -0.872 9.975 -13.158 1.00 0.00 C ATOM 1225 CG ASN A 232 -1.449 11.110 -13.981 1.00 0.00 C ATOM 1226 OD1 ASN A 232 -1.748 10.945 -15.164 1.00 0.00 O ATOM 1227 ND2 ASN A 232 -1.607 12.272 -13.357 1.00 0.00 N ATOM 0 H ASN A 232 0.870 7.868 -12.418 1.00 0.00 H new ATOM 0 HA ASN A 232 0.368 9.482 -14.843 1.00 0.00 H new ATOM 0 HB2 ASN A 232 -1.607 9.173 -13.084 1.00 0.00 H new ATOM 0 HB3 ASN A 232 -0.680 10.326 -12.144 1.00 0.00 H new ATOM 0 HD21 ASN A 232 -1.990 13.073 -13.860 1.00 0.00 H new ATOM 0 HD22 ASN A 232 -1.346 12.363 -12.375 1.00 0.00 H new ATOM 1234 N LYS A 233 2.794 9.648 -13.299 1.00 0.00 N ATOM 1235 CA LYS A 233 4.010 10.332 -12.875 1.00 0.00 C ATOM 1236 C LYS A 233 3.965 11.808 -13.258 1.00 0.00 C ATOM 1237 O LYS A 233 4.515 12.657 -12.558 1.00 0.00 O ATOM 1238 CB LYS A 233 5.238 9.668 -13.502 1.00 0.00 C ATOM 1239 CG LYS A 233 6.552 10.111 -12.881 1.00 0.00 C ATOM 1240 CD LYS A 233 7.724 9.316 -13.431 1.00 0.00 C ATOM 1241 CE LYS A 233 7.951 8.038 -12.638 1.00 0.00 C ATOM 1242 NZ LYS A 233 9.032 7.202 -13.231 1.00 0.00 N ATOM 0 H LYS A 233 2.936 8.684 -13.600 1.00 0.00 H new ATOM 0 HA LYS A 233 4.080 10.258 -11.790 1.00 0.00 H new ATOM 0 HB2 LYS A 233 5.146 8.586 -13.404 1.00 0.00 H new ATOM 0 HB3 LYS A 233 5.256 9.891 -14.569 1.00 0.00 H new ATOM 0 HG2 LYS A 233 6.708 11.172 -13.075 1.00 0.00 H new ATOM 0 HG3 LYS A 233 6.504 9.989 -11.799 1.00 0.00 H new ATOM 0 HD2 LYS A 233 7.539 9.069 -14.476 1.00 0.00 H new ATOM 0 HD3 LYS A 233 8.626 9.928 -13.403 1.00 0.00 H new ATOM 0 HE2 LYS A 233 8.209 8.290 -11.609 1.00 0.00 H new ATOM 0 HE3 LYS A 233 7.025 7.463 -12.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 233 9.156 6.340 -12.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 233 8.774 6.940 -14.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 233 9.921 7.741 -13.242 1.00 0.00 H new ATOM 1256 N GLU A 234 3.306 12.106 -14.374 1.00 0.00 N ATOM 1257 CA GLU A 234 3.190 13.479 -14.848 1.00 0.00 C ATOM 1258 C GLU A 234 3.072 14.451 -13.678 1.00 0.00 C ATOM 1259 O GLU A 234 3.601 15.561 -13.725 1.00 0.00 O ATOM 1260 CB GLU A 234 1.977 13.624 -15.769 1.00 0.00 C ATOM 1261 CG GLU A 234 0.717 12.973 -15.223 1.00 0.00 C ATOM 1262 CD GLU A 234 -0.465 13.108 -16.163 1.00 0.00 C ATOM 1263 OE1 GLU A 234 -0.490 12.400 -17.191 1.00 0.00 O ATOM 1264 OE2 GLU A 234 -1.365 13.923 -15.871 1.00 0.00 O ATOM 0 H GLU A 234 2.845 11.415 -14.966 1.00 0.00 H new ATOM 0 HA GLU A 234 4.094 13.719 -15.408 1.00 0.00 H new ATOM 0 HB2 GLU A 234 1.784 14.683 -15.938 1.00 0.00 H new ATOM 0 HB3 GLU A 234 2.212 13.184 -16.738 1.00 0.00 H new ATOM 0 HG2 GLU A 234 0.910 11.916 -15.038 1.00 0.00 H new ATOM 0 HG3 GLU A 234 0.466 13.424 -14.263 1.00 0.00 H new ATOM 1271 N GLU A 235 2.374 14.025 -12.630 1.00 0.00 N ATOM 1272 CA GLU A 235 2.186 14.858 -11.448 1.00 0.00 C ATOM 1273 C GLU A 235 2.593 14.108 -10.183 1.00 0.00 C ATOM 1274 O GLU A 235 3.231 14.670 -9.294 1.00 0.00 O ATOM 1275 CB GLU A 235 0.727 15.307 -11.341 1.00 0.00 C ATOM 1276 CG GLU A 235 0.543 16.594 -10.554 1.00 0.00 C ATOM 1277 CD GLU A 235 0.712 17.832 -11.413 1.00 0.00 C ATOM 1278 OE1 GLU A 235 1.578 17.817 -12.313 1.00 0.00 O ATOM 1279 OE2 GLU A 235 -0.022 18.816 -11.186 1.00 0.00 O ATOM 0 H GLU A 235 1.930 13.109 -12.575 1.00 0.00 H new ATOM 0 HA GLU A 235 2.823 15.737 -11.549 1.00 0.00 H new ATOM 0 HB2 GLU A 235 0.323 15.443 -12.344 1.00 0.00 H new ATOM 0 HB3 GLU A 235 0.146 14.515 -10.868 1.00 0.00 H new ATOM 0 HG2 GLU A 235 -0.450 16.601 -10.104 1.00 0.00 H new ATOM 0 HG3 GLU A 235 1.264 16.622 -9.737 1.00 0.00 H new ATOM 1286 N ARG A 236 2.218 12.835 -10.111 1.00 0.00 N ATOM 1287 CA ARG A 236 2.541 12.007 -8.955 1.00 0.00 C ATOM 1288 C ARG A 236 4.030 12.086 -8.630 1.00 0.00 C ATOM 1289 O ARG A 236 4.453 11.745 -7.526 1.00 0.00 O ATOM 1290 CB ARG A 236 2.141 10.554 -9.213 1.00 0.00 C ATOM 1291 CG ARG A 236 0.786 10.406 -9.886 1.00 0.00 C ATOM 1292 CD ARG A 236 0.226 9.003 -9.709 1.00 0.00 C ATOM 1293 NE ARG A 236 -1.230 8.977 -9.821 1.00 0.00 N ATOM 1294 CZ ARG A 236 -1.979 7.952 -9.431 1.00 0.00 C ATOM 1295 NH1 ARG A 236 -1.412 6.874 -8.906 1.00 0.00 N ATOM 1296 NH2 ARG A 236 -3.298 8.003 -9.566 1.00 0.00 N ATOM 0 H ARG A 236 1.690 12.354 -10.840 1.00 0.00 H new ATOM 0 HA ARG A 236 1.979 12.384 -8.101 1.00 0.00 H new ATOM 0 HB2 ARG A 236 2.900 10.082 -9.836 1.00 0.00 H new ATOM 0 HB3 ARG A 236 2.127 10.016 -8.265 1.00 0.00 H new ATOM 0 HG2 ARG A 236 0.089 11.132 -9.467 1.00 0.00 H new ATOM 0 HG3 ARG A 236 0.880 10.630 -10.949 1.00 0.00 H new ATOM 0 HD2 ARG A 236 0.659 8.342 -10.460 1.00 0.00 H new ATOM 0 HD3 ARG A 236 0.522 8.615 -8.734 1.00 0.00 H new ATOM 0 HE ARG A 236 -1.697 9.791 -10.221 1.00 0.00 H new ATOM 0 HH11 ARG A 236 -0.398 6.831 -8.801 1.00 0.00 H new ATOM 0 HH12 ARG A 236 -1.990 6.088 -8.607 1.00 0.00 H new ATOM 0 HH21 ARG A 236 -3.738 8.830 -9.970 1.00 0.00 H new ATOM 0 HH22 ARG A 236 -3.872 7.215 -9.266 1.00 0.00 H new ATOM 1310 N GLU A 237 4.820 12.536 -9.600 1.00 0.00 N ATOM 1311 CA GLU A 237 6.261 12.657 -9.417 1.00 0.00 C ATOM 1312 C GLU A 237 6.595 13.077 -7.989 1.00 0.00 C ATOM 1313 O GLU A 237 7.383 12.424 -7.306 1.00 0.00 O ATOM 1314 CB GLU A 237 6.840 13.671 -10.407 1.00 0.00 C ATOM 1315 CG GLU A 237 8.137 14.307 -9.938 1.00 0.00 C ATOM 1316 CD GLU A 237 8.993 14.803 -11.087 1.00 0.00 C ATOM 1317 OE1 GLU A 237 8.548 15.722 -11.806 1.00 0.00 O ATOM 1318 OE2 GLU A 237 10.109 14.272 -11.267 1.00 0.00 O ATOM 0 H GLU A 237 4.486 12.823 -10.520 1.00 0.00 H new ATOM 0 HA GLU A 237 6.708 11.681 -9.604 1.00 0.00 H new ATOM 0 HB2 GLU A 237 7.013 13.175 -11.362 1.00 0.00 H new ATOM 0 HB3 GLU A 237 6.104 14.455 -10.583 1.00 0.00 H new ATOM 0 HG2 GLU A 237 7.909 15.141 -9.274 1.00 0.00 H new ATOM 0 HG3 GLU A 237 8.703 13.581 -9.355 1.00 0.00 H new ATOM 1325 N ALA A 238 5.989 14.174 -7.544 1.00 0.00 N ATOM 1326 CA ALA A 238 6.220 14.681 -6.197 1.00 0.00 C ATOM 1327 C ALA A 238 6.043 13.579 -5.158 1.00 0.00 C ATOM 1328 O ALA A 238 6.851 13.443 -4.239 1.00 0.00 O ATOM 1329 CB ALA A 238 5.282 15.842 -5.903 1.00 0.00 C ATOM 0 H ALA A 238 5.335 14.728 -8.097 1.00 0.00 H new ATOM 0 HA ALA A 238 7.249 15.036 -6.140 1.00 0.00 H new ATOM 0 HB1 ALA A 238 5.465 16.211 -4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 238 5.459 16.643 -6.620 1.00 0.00 H new ATOM 0 HB3 ALA A 238 4.249 15.504 -5.984 1.00 0.00 H new ATOM 1335 N PHE A 239 4.981 12.794 -5.309 1.00 0.00 N ATOM 1336 CA PHE A 239 4.697 11.705 -4.382 1.00 0.00 C ATOM 1337 C PHE A 239 5.764 10.619 -4.476 1.00 0.00 C ATOM 1338 O PHE A 239 6.051 9.929 -3.498 1.00 0.00 O ATOM 1339 CB PHE A 239 3.318 11.108 -4.670 1.00 0.00 C ATOM 1340 CG PHE A 239 2.191 12.083 -4.483 1.00 0.00 C ATOM 1341 CD1 PHE A 239 2.192 12.966 -3.415 1.00 0.00 C ATOM 1342 CD2 PHE A 239 1.132 12.118 -5.375 1.00 0.00 C ATOM 1343 CE1 PHE A 239 1.156 13.864 -3.240 1.00 0.00 C ATOM 1344 CE2 PHE A 239 0.093 13.014 -5.206 1.00 0.00 C ATOM 1345 CZ PHE A 239 0.106 13.889 -4.137 1.00 0.00 C ATOM 0 H PHE A 239 4.303 12.892 -6.065 1.00 0.00 H new ATOM 0 HA PHE A 239 4.705 12.111 -3.370 1.00 0.00 H new ATOM 0 HB2 PHE A 239 3.299 10.735 -5.694 1.00 0.00 H new ATOM 0 HB3 PHE A 239 3.158 10.251 -4.016 1.00 0.00 H new ATOM 0 HD1 PHE A 239 3.011 12.952 -2.712 1.00 0.00 H new ATOM 0 HD2 PHE A 239 1.118 11.437 -6.213 1.00 0.00 H new ATOM 0 HE1 PHE A 239 1.167 14.546 -2.402 1.00 0.00 H new ATOM 0 HE2 PHE A 239 -0.727 13.030 -5.908 1.00 0.00 H new ATOM 0 HZ PHE A 239 -0.703 14.591 -4.003 1.00 0.00 H new ATOM 1355 N ALA A 240 6.348 10.473 -5.661 1.00 0.00 N ATOM 1356 CA ALA A 240 7.384 9.472 -5.884 1.00 0.00 C ATOM 1357 C ALA A 240 8.616 9.758 -5.033 1.00 0.00 C ATOM 1358 O ALA A 240 9.068 8.903 -4.272 1.00 0.00 O ATOM 1359 CB ALA A 240 7.759 9.419 -7.358 1.00 0.00 C ATOM 0 H ALA A 240 6.121 11.035 -6.481 1.00 0.00 H new ATOM 0 HA ALA A 240 6.986 8.502 -5.587 1.00 0.00 H new ATOM 0 HB1 ALA A 240 8.534 8.667 -7.510 1.00 0.00 H new ATOM 0 HB2 ALA A 240 6.880 9.159 -7.948 1.00 0.00 H new ATOM 0 HB3 ALA A 240 8.132 10.393 -7.674 1.00 0.00 H new ATOM 1365 N GLU A 241 9.155 10.966 -5.167 1.00 0.00 N ATOM 1366 CA GLU A 241 10.336 11.363 -4.411 1.00 0.00 C ATOM 1367 C GLU A 241 10.064 11.312 -2.910 1.00 0.00 C ATOM 1368 O GLU A 241 10.896 10.843 -2.133 1.00 0.00 O ATOM 1369 CB GLU A 241 10.777 12.773 -4.812 1.00 0.00 C ATOM 1370 CG GLU A 241 9.633 13.770 -4.885 1.00 0.00 C ATOM 1371 CD GLU A 241 10.113 15.197 -5.060 1.00 0.00 C ATOM 1372 OE1 GLU A 241 10.556 15.543 -6.175 1.00 0.00 O ATOM 1373 OE2 GLU A 241 10.047 15.969 -4.080 1.00 0.00 O ATOM 0 H GLU A 241 8.792 11.686 -5.792 1.00 0.00 H new ATOM 0 HA GLU A 241 11.136 10.660 -4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 241 11.515 13.132 -4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 241 11.271 12.728 -5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 241 8.979 13.506 -5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 241 9.037 13.700 -3.975 1.00 0.00 H new ATOM 1380 N SER A 242 8.893 11.797 -2.510 1.00 0.00 N ATOM 1381 CA SER A 242 8.512 11.811 -1.103 1.00 0.00 C ATOM 1382 C SER A 242 8.243 10.396 -0.599 1.00 0.00 C ATOM 1383 O SER A 242 8.525 10.072 0.556 1.00 0.00 O ATOM 1384 CB SER A 242 7.272 12.683 -0.897 1.00 0.00 C ATOM 1385 OG SER A 242 7.543 14.038 -1.209 1.00 0.00 O ATOM 0 H SER A 242 8.192 12.185 -3.141 1.00 0.00 H new ATOM 0 HA SER A 242 9.340 12.230 -0.532 1.00 0.00 H new ATOM 0 HB2 SER A 242 6.459 12.318 -1.524 1.00 0.00 H new ATOM 0 HB3 SER A 242 6.937 12.605 0.137 1.00 0.00 H new ATOM 0 HG SER A 242 7.407 14.186 -2.168 1.00 0.00 H new ATOM 1391 N LEU A 243 7.696 9.559 -1.472 1.00 0.00 N ATOM 1392 CA LEU A 243 7.387 8.177 -1.117 1.00 0.00 C ATOM 1393 C LEU A 243 8.664 7.360 -0.951 1.00 0.00 C ATOM 1394 O LEU A 243 8.708 6.411 -0.169 1.00 0.00 O ATOM 1395 CB LEU A 243 6.497 7.542 -2.187 1.00 0.00 C ATOM 1396 CG LEU A 243 5.004 7.856 -2.090 1.00 0.00 C ATOM 1397 CD1 LEU A 243 4.298 7.497 -3.388 1.00 0.00 C ATOM 1398 CD2 LEU A 243 4.378 7.115 -0.918 1.00 0.00 C ATOM 0 H LEU A 243 7.457 9.812 -2.431 1.00 0.00 H new ATOM 0 HA LEU A 243 6.854 8.182 -0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 243 6.853 7.864 -3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 243 6.624 6.460 -2.142 1.00 0.00 H new ATOM 0 HG LEU A 243 4.888 8.927 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 243 3.236 7.727 -3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 243 4.728 8.073 -4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 243 4.423 6.433 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 243 3.315 7.351 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 243 4.505 6.041 -1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 243 4.865 7.421 0.008 1.00 0.00 H new ATOM 1410 N ARG A 244 9.702 7.736 -1.691 1.00 0.00 N ATOM 1411 CA ARG A 244 10.981 7.039 -1.625 1.00 0.00 C ATOM 1412 C ARG A 244 11.716 7.373 -0.331 1.00 0.00 C ATOM 1413 O ARG A 244 12.169 6.481 0.387 1.00 0.00 O ATOM 1414 CB ARG A 244 11.850 7.408 -2.829 1.00 0.00 C ATOM 1415 CG ARG A 244 11.424 6.728 -4.120 1.00 0.00 C ATOM 1416 CD ARG A 244 12.483 6.873 -5.201 1.00 0.00 C ATOM 1417 NE ARG A 244 11.903 6.856 -6.541 1.00 0.00 N ATOM 1418 CZ ARG A 244 12.589 7.136 -7.643 1.00 0.00 C ATOM 1419 NH1 ARG A 244 13.874 7.453 -7.565 1.00 0.00 N ATOM 1420 NH2 ARG A 244 11.991 7.099 -8.827 1.00 0.00 N ATOM 0 H ARG A 244 9.682 8.520 -2.343 1.00 0.00 H new ATOM 0 HA ARG A 244 10.784 5.967 -1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 244 11.820 8.488 -2.970 1.00 0.00 H new ATOM 0 HB3 ARG A 244 12.885 7.144 -2.614 1.00 0.00 H new ATOM 0 HG2 ARG A 244 11.237 5.671 -3.931 1.00 0.00 H new ATOM 0 HG3 ARG A 244 10.486 7.160 -4.468 1.00 0.00 H new ATOM 0 HD2 ARG A 244 13.027 7.806 -5.053 1.00 0.00 H new ATOM 0 HD3 ARG A 244 13.208 6.064 -5.109 1.00 0.00 H new ATOM 0 HE ARG A 244 10.916 6.616 -6.636 1.00 0.00 H new ATOM 0 HH11 ARG A 244 14.338 7.482 -6.657 1.00 0.00 H new ATOM 0 HH12 ARG A 244 14.399 7.668 -8.413 1.00 0.00 H new ATOM 0 HH21 ARG A 244 11.003 6.855 -8.892 1.00 0.00 H new ATOM 0 HH22 ARG A 244 12.520 7.314 -9.672 1.00 0.00 H new ATOM 1434 N THR A 245 11.832 8.665 -0.039 1.00 0.00 N ATOM 1435 CA THR A 245 12.514 9.117 1.167 1.00 0.00 C ATOM 1436 C THR A 245 11.743 8.713 2.419 1.00 0.00 C ATOM 1437 O THR A 245 12.328 8.524 3.485 1.00 0.00 O ATOM 1438 CB THR A 245 12.702 10.646 1.166 1.00 0.00 C ATOM 1439 OG1 THR A 245 13.445 11.049 2.322 1.00 0.00 O ATOM 1440 CG2 THR A 245 11.358 11.357 1.147 1.00 0.00 C ATOM 0 H THR A 245 11.462 9.416 -0.621 1.00 0.00 H new ATOM 0 HA THR A 245 13.493 8.637 1.175 1.00 0.00 H new ATOM 0 HB THR A 245 13.253 10.921 0.267 1.00 0.00 H new ATOM 0 HG1 THR A 245 13.562 12.022 2.313 1.00 0.00 H new ATOM 0 HG21 THR A 245 11.517 12.435 1.147 1.00 0.00 H new ATOM 0 HG22 THR A 245 10.808 11.071 0.251 1.00 0.00 H new ATOM 0 HG23 THR A 245 10.785 11.075 2.030 1.00 0.00 H new ATOM 1448 N SER A 246 10.428 8.581 2.282 1.00 0.00 N ATOM 1449 CA SER A 246 9.576 8.202 3.403 1.00 0.00 C ATOM 1450 C SER A 246 9.576 6.689 3.597 1.00 0.00 C ATOM 1451 O SER A 246 9.452 6.195 4.718 1.00 0.00 O ATOM 1452 CB SER A 246 8.147 8.699 3.177 1.00 0.00 C ATOM 1453 OG SER A 246 7.398 8.661 4.379 1.00 0.00 O ATOM 0 H SER A 246 9.929 8.731 1.405 1.00 0.00 H new ATOM 0 HA SER A 246 9.975 8.667 4.304 1.00 0.00 H new ATOM 0 HB2 SER A 246 8.170 9.718 2.791 1.00 0.00 H new ATOM 0 HB3 SER A 246 7.660 8.083 2.421 1.00 0.00 H new ATOM 0 HG SER A 246 6.489 8.985 4.208 1.00 0.00 H new ATOM 1459 N LEU A 247 9.714 5.958 2.496 1.00 0.00 N ATOM 1460 CA LEU A 247 9.730 4.500 2.543 1.00 0.00 C ATOM 1461 C LEU A 247 10.396 4.003 3.823 1.00 0.00 C ATOM 1462 O LEU A 247 11.412 4.546 4.258 1.00 0.00 O ATOM 1463 CB LEU A 247 10.461 3.938 1.323 1.00 0.00 C ATOM 1464 CG LEU A 247 10.236 2.455 1.029 1.00 0.00 C ATOM 1465 CD1 LEU A 247 10.599 2.135 -0.413 1.00 0.00 C ATOM 1466 CD2 LEU A 247 11.043 1.592 1.988 1.00 0.00 C ATOM 0 H LEU A 247 9.816 6.351 1.560 1.00 0.00 H new ATOM 0 HA LEU A 247 8.698 4.150 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 247 10.158 4.511 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 247 11.530 4.103 1.457 1.00 0.00 H new ATOM 0 HG LEU A 247 9.179 2.233 1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 247 10.432 1.075 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 247 9.977 2.727 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 247 11.648 2.374 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 247 10.870 0.539 1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 247 12.103 1.818 1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 247 10.734 1.800 3.012 1.00 0.00 H new ATOM 1478 N LYS A 248 9.818 2.966 4.420 1.00 0.00 N ATOM 1479 CA LYS A 248 10.357 2.393 5.648 1.00 0.00 C ATOM 1480 C LYS A 248 10.420 0.871 5.555 1.00 0.00 C ATOM 1481 O LYS A 248 9.402 0.191 5.676 1.00 0.00 O ATOM 1482 CB LYS A 248 9.500 2.806 6.847 1.00 0.00 C ATOM 1483 CG LYS A 248 10.287 2.939 8.139 1.00 0.00 C ATOM 1484 CD LYS A 248 10.312 1.632 8.914 1.00 0.00 C ATOM 1485 CE LYS A 248 11.513 0.781 8.532 1.00 0.00 C ATOM 1486 NZ LYS A 248 11.888 -0.168 9.617 1.00 0.00 N ATOM 0 H LYS A 248 8.977 2.505 4.073 1.00 0.00 H new ATOM 0 HA LYS A 248 11.369 2.774 5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 248 9.016 3.757 6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 248 8.708 2.070 6.988 1.00 0.00 H new ATOM 0 HG2 LYS A 248 11.307 3.249 7.914 1.00 0.00 H new ATOM 0 HG3 LYS A 248 9.845 3.721 8.757 1.00 0.00 H new ATOM 0 HD2 LYS A 248 10.339 1.842 9.983 1.00 0.00 H new ATOM 0 HD3 LYS A 248 9.395 1.076 8.721 1.00 0.00 H new ATOM 0 HE2 LYS A 248 11.288 0.223 7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 248 12.360 1.429 8.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 248 12.644 -0.798 9.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 248 12.224 0.366 10.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 248 11.058 -0.735 9.885 1.00 0.00 H new ATOM 1500 N GLU A 249 11.622 0.345 5.342 1.00 0.00 N ATOM 1501 CA GLU A 249 11.817 -1.096 5.235 1.00 0.00 C ATOM 1502 C GLU A 249 12.105 -1.709 6.602 1.00 0.00 C ATOM 1503 O GLU A 249 12.972 -1.235 7.336 1.00 0.00 O ATOM 1504 CB GLU A 249 12.964 -1.408 4.271 1.00 0.00 C ATOM 1505 CG GLU A 249 12.574 -1.304 2.807 1.00 0.00 C ATOM 1506 CD GLU A 249 13.735 -0.893 1.921 1.00 0.00 C ATOM 1507 OE1 GLU A 249 14.419 0.095 2.260 1.00 0.00 O ATOM 1508 OE2 GLU A 249 13.959 -1.560 0.890 1.00 0.00 O ATOM 0 H GLU A 249 12.475 0.895 5.240 1.00 0.00 H new ATOM 0 HA GLU A 249 10.897 -1.533 4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 249 13.789 -0.724 4.468 1.00 0.00 H new ATOM 0 HB3 GLU A 249 13.331 -2.415 4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 249 12.187 -2.265 2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 249 11.767 -0.580 2.701 1.00 0.00 H new ATOM 1515 N ILE A 250 11.372 -2.766 6.936 1.00 0.00 N ATOM 1516 CA ILE A 250 11.549 -3.445 8.214 1.00 0.00 C ATOM 1517 C ILE A 250 12.523 -4.610 8.087 1.00 0.00 C ATOM 1518 O ILE A 250 13.163 -5.007 9.060 1.00 0.00 O ATOM 1519 CB ILE A 250 10.209 -3.968 8.763 1.00 0.00 C ATOM 1520 CG1 ILE A 250 9.318 -4.455 7.618 1.00 0.00 C ATOM 1521 CG2 ILE A 250 9.504 -2.883 9.564 1.00 0.00 C ATOM 1522 CD1 ILE A 250 8.067 -5.164 8.086 1.00 0.00 C ATOM 0 H ILE A 250 10.650 -3.171 6.340 1.00 0.00 H new ATOM 0 HA ILE A 250 11.955 -2.710 8.909 1.00 0.00 H new ATOM 0 HB ILE A 250 10.410 -4.810 9.426 1.00 0.00 H new ATOM 0 HG12 ILE A 250 9.034 -3.602 7.002 1.00 0.00 H new ATOM 0 HG13 ILE A 250 9.892 -5.130 6.983 1.00 0.00 H new ATOM 0 HG21 ILE A 250 8.558 -3.269 9.945 1.00 0.00 H new ATOM 0 HG22 ILE A 250 10.135 -2.579 10.399 1.00 0.00 H new ATOM 0 HG23 ILE A 250 9.313 -2.023 8.922 1.00 0.00 H new ATOM 0 HD11 ILE A 250 7.484 -5.481 7.222 1.00 0.00 H new ATOM 0 HD12 ILE A 250 8.343 -6.037 8.678 1.00 0.00 H new ATOM 0 HD13 ILE A 250 7.471 -4.486 8.697 1.00 0.00 H new