USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 556 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 NoAdj-H: B 27 HIS HE2 : B 27 HIS NE2 : B 37 ZNZN :(H bumps) USER MOD Set 1.1: B 20 SER OG : rot 131:sc= 0.581 USER MOD Set 1.2: B 23 THR OG1 : rot 131:sc= 0.196 USER MOD Set 2.1: A 231 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 235 ASN :FLIP amide:sc= 1.19 F(o=1.5!,f=2.4) USER MOD Set 2.3: A 237 GLN :FLIP amide:sc= 1.18 F(o=1.5,f=2.4) USER MOD Set 3.1: A 220 THR OG1 : rot 9:sc= 1.11 USER MOD Set 3.2: A 222 HIS : no HD1:sc= -0.197 K(o=2.4,f=1.5) USER MOD Set 3.3: A 232 HIS : no HE2:sc= 0.58 K(o=2.4,f=-5.4!) USER MOD Set 3.4: B 30 TYR OH : rot 90:sc= 0.906 USER MOD Single : A 206 ASN : amide:sc= -0.463! X(o=-0.46!,f=-0.71) USER MOD Single : A 210 THR OG1 : rot -100:sc= 1.24 USER MOD Single : A 212 THR OG1 : rot -117:sc= 0.416 USER MOD Single : A 223 TYR OH : rot 180:sc= 0.996 USER MOD Single : A 226 ASN : amide:sc= 0.124 X(o=0.12,f=0) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 238 ASN : amide:sc= 1.16 K(o=1.2,f=-0.058) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot -100:sc= 0.355 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 22 SER OG : rot 180:sc= 0.0989 USER MOD Single : B 28 GLN :FLIP amide:sc= -0.338 F(o=-1.9!,f=-0.34) USER MOD Single : B 31 TYR OH : rot 59:sc= 0.635 USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 34 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 200 -3.057 -13.523 2.322 1.00 1.00 N ATOM 2 CA GLU A 200 -3.734 -14.434 1.367 1.00 1.00 C ATOM 3 C GLU A 200 -3.225 -14.197 -0.050 1.00 1.00 C ATOM 4 O GLU A 200 -2.620 -15.081 -0.659 1.00 1.00 O ATOM 5 CB GLU A 200 -5.251 -14.229 1.406 1.00 1.00 C ATOM 6 CG GLU A 200 -5.833 -14.165 2.810 1.00 1.00 C ATOM 7 CD GLU A 200 -5.509 -15.388 3.636 1.00 1.00 C ATOM 8 OE1 GLU A 200 -4.402 -15.442 4.205 1.00 1.00 O ATOM 9 OE2 GLU A 200 -6.361 -16.295 3.726 1.00 1.00 O ATOM 0 HA GLU A 200 -3.507 -15.458 1.662 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -5.496 -13.306 0.880 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -5.731 -15.043 0.862 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -5.451 -13.279 3.316 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -6.915 -14.053 2.745 1.00 1.00 H new ATOM 16 N ALA A 201 -3.476 -13.003 -0.576 1.00 1.00 N ATOM 17 CA ALA A 201 -3.033 -12.661 -1.923 1.00 1.00 C ATOM 18 C ALA A 201 -2.454 -11.253 -1.970 1.00 1.00 C ATOM 19 O ALA A 201 -1.239 -11.072 -1.930 1.00 1.00 O ATOM 20 CB ALA A 201 -4.182 -12.797 -2.911 1.00 1.00 C ATOM 0 H ALA A 201 -3.981 -12.260 -0.094 1.00 1.00 H new ATOM 0 HA ALA A 201 -2.245 -13.359 -2.206 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -3.834 -12.538 -3.911 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -4.545 -13.825 -2.908 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -4.991 -12.126 -2.623 1.00 1.00 H new ATOM 26 N ARG A 202 -3.332 -10.259 -2.050 1.00 1.00 N ATOM 27 CA ARG A 202 -2.910 -8.864 -2.096 1.00 1.00 C ATOM 28 C ARG A 202 -2.430 -8.417 -0.721 1.00 1.00 C ATOM 29 O ARG A 202 -2.902 -8.917 0.306 1.00 1.00 O ATOM 30 CB ARG A 202 -4.058 -7.972 -2.579 1.00 1.00 C ATOM 31 CG ARG A 202 -3.660 -6.522 -2.822 1.00 1.00 C ATOM 32 CD ARG A 202 -3.150 -6.308 -4.242 1.00 1.00 C ATOM 33 NE ARG A 202 -1.855 -6.947 -4.474 1.00 1.00 N ATOM 34 CZ ARG A 202 -1.663 -7.966 -5.309 1.00 1.00 C ATOM 35 NH1 ARG A 202 -2.686 -8.508 -5.956 1.00 1.00 N ATOM 36 NH2 ARG A 202 -0.446 -8.450 -5.501 1.00 1.00 N ATOM 0 H ARG A 202 -4.342 -10.394 -2.084 1.00 1.00 H new ATOM 0 HA ARG A 202 -2.085 -8.772 -2.802 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -4.462 -8.386 -3.503 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -4.860 -7.999 -1.841 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -4.518 -5.874 -2.642 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -2.887 -6.233 -2.110 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -3.879 -6.703 -4.950 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -3.064 -5.239 -4.437 1.00 1.00 H new ATOM 0 HE ARG A 202 -1.048 -6.589 -3.964 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -3.629 -8.144 -5.816 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -2.530 -9.288 -6.594 1.00 1.00 H new ATOM 0 HH21 ARG A 202 0.349 -8.042 -5.008 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -0.303 -9.231 -6.142 1.00 1.00 H new ATOM 50 N GLU A 203 -1.489 -7.491 -0.710 1.00 1.00 N ATOM 51 CA GLU A 203 -0.925 -6.973 0.523 1.00 1.00 C ATOM 52 C GLU A 203 -1.505 -5.598 0.845 1.00 1.00 C ATOM 53 O GLU A 203 -1.517 -4.707 -0.006 1.00 1.00 O ATOM 54 CB GLU A 203 0.604 -6.877 0.404 1.00 1.00 C ATOM 55 CG GLU A 203 1.191 -7.623 -0.792 1.00 1.00 C ATOM 56 CD GLU A 203 1.197 -6.796 -2.068 1.00 1.00 C ATOM 57 OE1 GLU A 203 0.137 -6.670 -2.713 1.00 1.00 O ATOM 58 OE2 GLU A 203 2.270 -6.284 -2.445 1.00 1.00 O ATOM 0 H GLU A 203 -1.094 -7.077 -1.555 1.00 1.00 H new ATOM 0 HA GLU A 203 -1.181 -7.658 1.332 1.00 1.00 H new ATOM 0 HB2 GLU A 203 0.886 -5.826 0.335 1.00 1.00 H new ATOM 0 HB3 GLU A 203 1.053 -7.268 1.317 1.00 1.00 H new ATOM 0 HG2 GLU A 203 2.212 -7.926 -0.558 1.00 1.00 H new ATOM 0 HG3 GLU A 203 0.618 -8.535 -0.960 1.00 1.00 H new ATOM 65 N CYS A 204 -2.002 -5.437 2.067 1.00 1.00 N ATOM 66 CA CYS A 204 -2.558 -4.165 2.501 1.00 1.00 C ATOM 67 C CYS A 204 -1.419 -3.219 2.863 1.00 1.00 C ATOM 68 O CYS A 204 -0.347 -3.658 3.282 1.00 1.00 O ATOM 69 CB CYS A 204 -3.499 -4.361 3.688 1.00 1.00 C ATOM 70 SG CYS A 204 -4.021 -2.818 4.507 1.00 1.00 S ATOM 0 H CYS A 204 -2.030 -6.173 2.773 1.00 1.00 H new ATOM 0 HA CYS A 204 -3.141 -3.731 1.688 1.00 1.00 H new ATOM 0 HB2 CYS A 204 -4.387 -4.894 3.347 1.00 1.00 H new ATOM 0 HB3 CYS A 204 -3.007 -4.998 4.423 1.00 1.00 H new ATOM 75 N VAL A 205 -1.670 -1.927 2.742 1.00 1.00 N ATOM 76 CA VAL A 205 -0.646 -0.926 2.996 1.00 1.00 C ATOM 77 C VAL A 205 -0.863 -0.162 4.298 1.00 1.00 C ATOM 78 O VAL A 205 -0.075 0.725 4.633 1.00 1.00 O ATOM 79 CB VAL A 205 -0.600 0.089 1.838 1.00 1.00 C ATOM 80 CG1 VAL A 205 -0.412 -0.630 0.514 1.00 1.00 C ATOM 81 CG2 VAL A 205 -1.866 0.936 1.815 1.00 1.00 C ATOM 0 H VAL A 205 -2.575 -1.545 2.469 1.00 1.00 H new ATOM 0 HA VAL A 205 0.295 -1.469 3.080 1.00 1.00 H new ATOM 0 HB VAL A 205 0.250 0.754 1.994 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -0.381 0.100 -0.295 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.523 -1.190 0.533 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -1.243 -1.317 0.352 1.00 1.00 H new ATOM 0 HG21 VAL A 205 -1.814 1.646 0.990 1.00 1.00 H new ATOM 0 HG22 VAL A 205 -2.734 0.290 1.683 1.00 1.00 H new ATOM 0 HG23 VAL A 205 -1.958 1.479 2.756 1.00 1.00 H new ATOM 91 N ASN A 206 -1.909 -0.495 5.041 1.00 1.00 N ATOM 92 CA ASN A 206 -2.184 0.233 6.276 1.00 1.00 C ATOM 93 C ASN A 206 -2.638 -0.664 7.419 1.00 1.00 C ATOM 94 O ASN A 206 -2.283 -0.424 8.576 1.00 1.00 O ATOM 95 CB ASN A 206 -3.250 1.299 6.031 1.00 1.00 C ATOM 96 CG ASN A 206 -2.678 2.691 5.889 1.00 1.00 C ATOM 97 OD1 ASN A 206 -2.423 3.375 6.880 1.00 1.00 O ATOM 98 ND2 ASN A 206 -2.478 3.131 4.654 1.00 1.00 N ATOM 0 H ASN A 206 -2.566 -1.243 4.821 1.00 1.00 H new ATOM 0 HA ASN A 206 -1.240 0.689 6.575 1.00 1.00 H new ATOM 0 HB2 ASN A 206 -3.805 1.047 5.127 1.00 1.00 H new ATOM 0 HB3 ASN A 206 -3.962 1.288 6.856 1.00 1.00 H new ATOM 0 HD21 ASN A 206 -2.100 4.066 4.501 1.00 1.00 H new ATOM 0 HD22 ASN A 206 -2.702 2.534 3.858 1.00 1.00 H new ATOM 105 N CYS A 207 -3.407 -1.695 7.120 1.00 1.00 N ATOM 106 CA CYS A 207 -3.915 -2.562 8.169 1.00 1.00 C ATOM 107 C CYS A 207 -3.484 -4.018 8.011 1.00 1.00 C ATOM 108 O CYS A 207 -3.486 -4.776 8.984 1.00 1.00 O ATOM 109 CB CYS A 207 -5.446 -2.467 8.213 1.00 1.00 C ATOM 110 SG CYS A 207 -6.188 -1.430 6.899 1.00 1.00 S ATOM 0 H CYS A 207 -3.691 -1.951 6.174 1.00 1.00 H new ATOM 0 HA CYS A 207 -3.484 -2.214 9.108 1.00 1.00 H new ATOM 0 HB2 CYS A 207 -5.861 -3.472 8.141 1.00 1.00 H new ATOM 0 HB3 CYS A 207 -5.744 -2.068 9.183 1.00 1.00 H new ATOM 115 N GLY A 208 -3.121 -4.410 6.806 1.00 1.00 N ATOM 116 CA GLY A 208 -2.723 -5.783 6.573 1.00 1.00 C ATOM 117 C GLY A 208 -3.934 -6.674 6.422 1.00 1.00 C ATOM 118 O GLY A 208 -3.878 -7.876 6.677 1.00 1.00 O ATOM 0 H GLY A 208 -3.093 -3.807 5.984 1.00 1.00 H new ATOM 0 HA2 GLY A 208 -2.109 -5.841 5.674 1.00 1.00 H new ATOM 0 HA3 GLY A 208 -2.109 -6.134 7.402 1.00 1.00 H new ATOM 122 N ALA A 209 -5.032 -6.067 5.992 1.00 1.00 N ATOM 123 CA ALA A 209 -6.290 -6.775 5.801 1.00 1.00 C ATOM 124 C ALA A 209 -6.263 -7.583 4.510 1.00 1.00 C ATOM 125 O ALA A 209 -6.936 -7.256 3.538 1.00 1.00 O ATOM 126 CB ALA A 209 -7.450 -5.792 5.797 1.00 1.00 C ATOM 0 H ALA A 209 -5.076 -5.073 5.766 1.00 1.00 H new ATOM 0 HA ALA A 209 -6.427 -7.469 6.630 1.00 1.00 H new ATOM 0 HB1 ALA A 209 -8.385 -6.333 5.653 1.00 1.00 H new ATOM 0 HB2 ALA A 209 -7.480 -5.261 6.749 1.00 1.00 H new ATOM 0 HB3 ALA A 209 -7.317 -5.076 4.986 1.00 1.00 H new ATOM 132 N THR A 210 -5.474 -8.641 4.514 1.00 1.00 N ATOM 133 CA THR A 210 -5.340 -9.494 3.351 1.00 1.00 C ATOM 134 C THR A 210 -6.416 -10.580 3.333 1.00 1.00 C ATOM 135 O THR A 210 -6.606 -11.259 2.327 1.00 1.00 O ATOM 136 CB THR A 210 -3.934 -10.140 3.306 1.00 1.00 C ATOM 137 OG1 THR A 210 -3.722 -10.817 2.059 1.00 1.00 O ATOM 138 CG2 THR A 210 -3.743 -11.118 4.458 1.00 1.00 C ATOM 0 H THR A 210 -4.914 -8.930 5.316 1.00 1.00 H new ATOM 0 HA THR A 210 -5.470 -8.869 2.467 1.00 1.00 H new ATOM 0 HB THR A 210 -3.203 -9.338 3.403 1.00 1.00 H new ATOM 0 HG1 THR A 210 -3.873 -11.778 2.179 1.00 1.00 H new ATOM 0 HG21 THR A 210 -2.747 -11.557 4.401 1.00 1.00 H new ATOM 0 HG22 THR A 210 -3.854 -10.590 5.405 1.00 1.00 H new ATOM 0 HG23 THR A 210 -4.491 -11.908 4.393 1.00 1.00 H new ATOM 146 N ALA A 211 -7.139 -10.721 4.440 1.00 1.00 N ATOM 147 CA ALA A 211 -8.177 -11.743 4.549 1.00 1.00 C ATOM 148 C ALA A 211 -9.554 -11.220 4.138 1.00 1.00 C ATOM 149 O ALA A 211 -10.576 -11.837 4.446 1.00 1.00 O ATOM 150 CB ALA A 211 -8.221 -12.287 5.966 1.00 1.00 C ATOM 0 H ALA A 211 -7.026 -10.143 5.273 1.00 1.00 H new ATOM 0 HA ALA A 211 -7.920 -12.545 3.857 1.00 1.00 H new ATOM 0 HB1 ALA A 211 -8.997 -13.049 6.039 1.00 1.00 H new ATOM 0 HB2 ALA A 211 -7.256 -12.727 6.217 1.00 1.00 H new ATOM 0 HB3 ALA A 211 -8.441 -11.476 6.660 1.00 1.00 H new ATOM 156 N THR A 212 -9.585 -10.095 3.438 1.00 1.00 N ATOM 157 CA THR A 212 -10.844 -9.517 2.997 1.00 1.00 C ATOM 158 C THR A 212 -11.433 -10.329 1.837 1.00 1.00 C ATOM 159 O THR A 212 -10.712 -10.757 0.934 1.00 1.00 O ATOM 160 CB THR A 212 -10.675 -8.031 2.589 1.00 1.00 C ATOM 161 OG1 THR A 212 -11.945 -7.464 2.228 1.00 1.00 O ATOM 162 CG2 THR A 212 -9.698 -7.880 1.434 1.00 1.00 C ATOM 0 H THR A 212 -8.756 -9.567 3.165 1.00 1.00 H new ATOM 0 HA THR A 212 -11.537 -9.554 3.837 1.00 1.00 H new ATOM 0 HB THR A 212 -10.272 -7.496 3.449 1.00 1.00 H new ATOM 0 HG1 THR A 212 -11.926 -7.191 1.287 1.00 1.00 H new ATOM 0 HG21 THR A 212 -9.603 -6.826 1.173 1.00 1.00 H new ATOM 0 HG22 THR A 212 -8.724 -8.270 1.728 1.00 1.00 H new ATOM 0 HG23 THR A 212 -10.066 -8.435 0.571 1.00 1.00 H new ATOM 170 N PRO A 213 -12.752 -10.587 1.870 1.00 1.00 N ATOM 171 CA PRO A 213 -13.434 -11.352 0.821 1.00 1.00 C ATOM 172 C PRO A 213 -13.623 -10.542 -0.462 1.00 1.00 C ATOM 173 O PRO A 213 -13.916 -11.095 -1.522 1.00 1.00 O ATOM 174 CB PRO A 213 -14.787 -11.682 1.451 1.00 1.00 C ATOM 175 CG PRO A 213 -15.030 -10.583 2.426 1.00 1.00 C ATOM 176 CD PRO A 213 -13.676 -10.176 2.946 1.00 1.00 C ATOM 0 HA PRO A 213 -12.863 -12.230 0.518 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -15.574 -11.724 0.698 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -14.767 -12.653 1.946 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -15.532 -9.742 1.948 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -15.674 -10.919 3.239 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -13.624 -9.103 3.131 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -13.442 -10.674 3.887 1.00 1.00 H new ATOM 184 N LEU A 214 -13.447 -9.233 -0.359 1.00 1.00 N ATOM 185 CA LEU A 214 -13.597 -8.349 -1.505 1.00 1.00 C ATOM 186 C LEU A 214 -12.604 -7.199 -1.420 1.00 1.00 C ATOM 187 O LEU A 214 -12.626 -6.423 -0.460 1.00 1.00 O ATOM 188 CB LEU A 214 -15.026 -7.800 -1.578 1.00 1.00 C ATOM 189 CG LEU A 214 -15.362 -7.035 -2.860 1.00 1.00 C ATOM 190 CD1 LEU A 214 -15.392 -7.976 -4.054 1.00 1.00 C ATOM 191 CD2 LEU A 214 -16.690 -6.315 -2.712 1.00 1.00 C ATOM 0 H LEU A 214 -13.199 -8.759 0.509 1.00 1.00 H new ATOM 0 HA LEU A 214 -13.396 -8.924 -2.409 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -15.724 -8.631 -1.476 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -15.189 -7.140 -0.726 1.00 1.00 H new ATOM 0 HG LEU A 214 -14.584 -6.292 -3.033 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -15.633 -7.412 -4.955 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -14.416 -8.447 -4.170 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -16.149 -8.744 -3.893 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -16.916 -5.775 -3.632 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -17.478 -7.042 -2.515 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -16.631 -5.610 -1.883 1.00 1.00 H new ATOM 203 N TRP A 215 -11.738 -7.098 -2.418 1.00 1.00 N ATOM 204 CA TRP A 215 -10.737 -6.043 -2.464 1.00 1.00 C ATOM 205 C TRP A 215 -11.331 -4.785 -3.075 1.00 1.00 C ATOM 206 O TRP A 215 -12.403 -4.831 -3.683 1.00 1.00 O ATOM 207 CB TRP A 215 -9.522 -6.497 -3.274 1.00 1.00 C ATOM 208 CG TRP A 215 -8.905 -7.759 -2.755 1.00 1.00 C ATOM 209 CD1 TRP A 215 -9.169 -9.033 -3.169 1.00 1.00 C ATOM 210 CD2 TRP A 215 -7.926 -7.871 -1.719 1.00 1.00 C ATOM 211 NE1 TRP A 215 -8.415 -9.927 -2.455 1.00 1.00 N ATOM 212 CE2 TRP A 215 -7.644 -9.242 -1.559 1.00 1.00 C ATOM 213 CE3 TRP A 215 -7.261 -6.949 -0.908 1.00 1.00 C ATOM 214 CZ2 TRP A 215 -6.728 -9.708 -0.624 1.00 1.00 C ATOM 215 CZ3 TRP A 215 -6.350 -7.414 0.018 1.00 1.00 C ATOM 216 CH2 TRP A 215 -6.091 -8.784 0.153 1.00 1.00 C ATOM 0 H TRP A 215 -11.709 -7.738 -3.211 1.00 1.00 H new ATOM 0 HA TRP A 215 -10.415 -5.824 -1.446 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -9.820 -6.646 -4.312 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -8.773 -5.705 -3.268 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -9.870 -9.298 -3.946 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -8.427 -10.940 -2.573 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -7.456 -5.891 -1.004 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -6.527 -10.764 -0.516 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -5.828 -6.710 0.649 1.00 1.00 H new ATOM 0 HH2 TRP A 215 -5.372 -9.116 0.887 1.00 1.00 H new ATOM 227 N ARG A 216 -10.648 -3.663 -2.915 1.00 1.00 N ATOM 228 CA ARG A 216 -11.131 -2.404 -3.459 1.00 1.00 C ATOM 229 C ARG A 216 -9.972 -1.540 -3.938 1.00 1.00 C ATOM 230 O ARG A 216 -9.046 -1.250 -3.179 1.00 1.00 O ATOM 231 CB ARG A 216 -11.942 -1.646 -2.406 1.00 1.00 C ATOM 232 CG ARG A 216 -13.193 -0.988 -2.963 1.00 1.00 C ATOM 233 CD ARG A 216 -14.146 -2.018 -3.552 1.00 1.00 C ATOM 234 NE ARG A 216 -14.489 -1.722 -4.942 1.00 1.00 N ATOM 235 CZ ARG A 216 -14.378 -2.595 -5.945 1.00 1.00 C ATOM 236 NH1 ARG A 216 -13.850 -3.797 -5.732 1.00 1.00 N ATOM 237 NH2 ARG A 216 -14.770 -2.257 -7.169 1.00 1.00 N ATOM 0 H ARG A 216 -9.761 -3.598 -2.415 1.00 1.00 H new ATOM 0 HA ARG A 216 -11.773 -2.628 -4.311 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -12.227 -2.336 -1.612 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -11.310 -0.882 -1.953 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -13.698 -0.434 -2.172 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -12.915 -0.266 -3.731 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -13.690 -3.007 -3.495 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -15.057 -2.052 -2.954 1.00 1.00 H new ATOM 0 HE ARG A 216 -14.836 -0.788 -5.159 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -13.528 -4.055 -4.799 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -13.767 -4.461 -6.502 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -15.156 -1.329 -7.343 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -14.684 -2.925 -7.935 1.00 1.00 H new ATOM 251 N ARG A 217 -10.024 -1.136 -5.198 1.00 1.00 N ATOM 252 CA ARG A 217 -8.982 -0.292 -5.767 1.00 1.00 C ATOM 253 C ARG A 217 -9.401 1.170 -5.683 1.00 1.00 C ATOM 254 O ARG A 217 -10.591 1.485 -5.695 1.00 1.00 O ATOM 255 CB ARG A 217 -8.685 -0.686 -7.222 1.00 1.00 C ATOM 256 CG ARG A 217 -9.809 -0.361 -8.195 1.00 1.00 C ATOM 257 CD ARG A 217 -9.329 0.541 -9.321 1.00 1.00 C ATOM 258 NE ARG A 217 -8.443 -0.158 -10.255 1.00 1.00 N ATOM 259 CZ ARG A 217 -8.076 0.334 -11.439 1.00 1.00 C ATOM 260 NH1 ARG A 217 -8.515 1.524 -11.831 1.00 1.00 N ATOM 261 NH2 ARG A 217 -7.272 -0.363 -12.233 1.00 1.00 N ATOM 0 H ARG A 217 -10.774 -1.378 -5.845 1.00 1.00 H new ATOM 0 HA ARG A 217 -8.067 -0.434 -5.192 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -7.778 -0.176 -7.547 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -8.481 -1.756 -7.263 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -10.208 -1.285 -8.613 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -10.625 0.126 -7.660 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -10.190 0.931 -9.864 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -8.804 1.398 -8.898 1.00 1.00 H new ATOM 0 HE ARG A 217 -8.086 -1.074 -9.984 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -9.134 2.064 -11.226 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -8.233 1.899 -12.737 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -6.933 -1.279 -11.938 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -6.994 0.017 -13.138 1.00 1.00 H new ATOM 275 N ASP A 218 -8.426 2.055 -5.587 1.00 1.00 N ATOM 276 CA ASP A 218 -8.700 3.480 -5.487 1.00 1.00 C ATOM 277 C ASP A 218 -8.530 4.179 -6.835 1.00 1.00 C ATOM 278 O ASP A 218 -8.240 3.540 -7.849 1.00 1.00 O ATOM 279 CB ASP A 218 -7.781 4.111 -4.439 1.00 1.00 C ATOM 280 CG ASP A 218 -6.541 4.723 -5.045 1.00 1.00 C ATOM 281 OD1 ASP A 218 -5.726 3.983 -5.618 1.00 1.00 O ATOM 282 OD2 ASP A 218 -6.382 5.957 -4.965 1.00 1.00 O ATOM 0 H ASP A 218 -7.435 1.813 -5.576 1.00 1.00 H new ATOM 0 HA ASP A 218 -9.738 3.607 -5.180 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -8.331 4.878 -3.894 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -7.489 3.352 -3.713 1.00 1.00 H new ATOM 287 N ARG A 219 -8.698 5.501 -6.824 1.00 1.00 N ATOM 288 CA ARG A 219 -8.584 6.318 -8.026 1.00 1.00 C ATOM 289 C ARG A 219 -7.176 6.258 -8.626 1.00 1.00 C ATOM 290 O ARG A 219 -7.022 6.245 -9.849 1.00 1.00 O ATOM 291 CB ARG A 219 -8.963 7.768 -7.699 1.00 1.00 C ATOM 292 CG ARG A 219 -8.676 8.759 -8.819 1.00 1.00 C ATOM 293 CD ARG A 219 -9.623 8.583 -9.997 1.00 1.00 C ATOM 294 NE ARG A 219 -9.270 9.464 -11.114 1.00 1.00 N ATOM 295 CZ ARG A 219 -9.852 9.422 -12.315 1.00 1.00 C ATOM 296 NH1 ARG A 219 -10.830 8.557 -12.554 1.00 1.00 N ATOM 297 NH2 ARG A 219 -9.464 10.255 -13.276 1.00 1.00 N ATOM 0 H ARG A 219 -8.917 6.033 -5.981 1.00 1.00 H new ATOM 0 HA ARG A 219 -9.270 5.919 -8.773 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -10.025 7.808 -7.458 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -8.421 8.080 -6.806 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -8.762 9.775 -8.434 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -7.648 8.633 -9.159 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -9.600 7.546 -10.331 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -10.644 8.792 -9.677 1.00 1.00 H new ATOM 0 HE ARG A 219 -8.533 10.153 -10.964 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -11.140 7.921 -11.819 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -11.272 8.528 -13.473 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -8.720 10.929 -13.097 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -9.911 10.220 -14.192 1.00 1.00 H new ATOM 311 N THR A 220 -6.153 6.205 -7.775 1.00 1.00 N ATOM 312 CA THR A 220 -4.773 6.156 -8.254 1.00 1.00 C ATOM 313 C THR A 220 -4.409 4.766 -8.783 1.00 1.00 C ATOM 314 O THR A 220 -3.287 4.542 -9.240 1.00 1.00 O ATOM 315 CB THR A 220 -3.762 6.586 -7.164 1.00 1.00 C ATOM 316 OG1 THR A 220 -3.802 5.691 -6.045 1.00 1.00 O ATOM 317 CG2 THR A 220 -4.051 8.002 -6.694 1.00 1.00 C ATOM 0 H THR A 220 -6.252 6.195 -6.760 1.00 1.00 H new ATOM 0 HA THR A 220 -4.709 6.870 -9.075 1.00 1.00 H new ATOM 0 HB THR A 220 -2.766 6.552 -7.605 1.00 1.00 H new ATOM 0 HG1 THR A 220 -4.361 4.917 -6.265 1.00 1.00 H new ATOM 0 HG21 THR A 220 -3.329 8.285 -5.928 1.00 1.00 H new ATOM 0 HG22 THR A 220 -3.973 8.688 -7.537 1.00 1.00 H new ATOM 0 HG23 THR A 220 -5.058 8.049 -6.279 1.00 1.00 H new ATOM 325 N GLY A 221 -5.360 3.834 -8.714 1.00 1.00 N ATOM 326 CA GLY A 221 -5.129 2.490 -9.213 1.00 1.00 C ATOM 327 C GLY A 221 -4.474 1.579 -8.195 1.00 1.00 C ATOM 328 O GLY A 221 -3.848 0.582 -8.555 1.00 1.00 O ATOM 0 H GLY A 221 -6.288 3.989 -8.320 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -6.080 2.055 -9.521 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -4.500 2.543 -10.102 1.00 1.00 H new ATOM 332 N HIS A 222 -4.616 1.907 -6.923 1.00 1.00 N ATOM 333 CA HIS A 222 -4.028 1.099 -5.868 1.00 1.00 C ATOM 334 C HIS A 222 -5.019 0.053 -5.381 1.00 1.00 C ATOM 335 O HIS A 222 -6.025 0.385 -4.756 1.00 1.00 O ATOM 336 CB HIS A 222 -3.579 1.975 -4.693 1.00 1.00 C ATOM 337 CG HIS A 222 -2.345 2.782 -4.964 1.00 1.00 C ATOM 338 ND1 HIS A 222 -1.536 3.273 -3.962 1.00 1.00 N ATOM 339 CD2 HIS A 222 -1.781 3.188 -6.129 1.00 1.00 C ATOM 340 CE1 HIS A 222 -0.536 3.948 -4.496 1.00 1.00 C ATOM 341 NE2 HIS A 222 -0.661 3.912 -5.810 1.00 1.00 N ATOM 0 H HIS A 222 -5.131 2.724 -6.596 1.00 1.00 H new ATOM 0 HA HIS A 222 -3.154 0.595 -6.281 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -4.391 2.652 -4.428 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -3.400 1.338 -3.827 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -2.146 2.980 -7.124 1.00 1.00 H new ATOM 0 HE1 HIS A 222 0.252 4.446 -3.950 1.00 1.00 H new ATOM 0 HE2 HIS A 222 -0.028 4.351 -6.479 1.00 1.00 H new ATOM 350 N TYR A 223 -4.747 -1.204 -5.702 1.00 1.00 N ATOM 351 CA TYR A 223 -5.597 -2.306 -5.278 1.00 1.00 C ATOM 352 C TYR A 223 -5.326 -2.606 -3.812 1.00 1.00 C ATOM 353 O TYR A 223 -4.332 -3.249 -3.478 1.00 1.00 O ATOM 354 CB TYR A 223 -5.326 -3.548 -6.130 1.00 1.00 C ATOM 355 CG TYR A 223 -5.459 -3.307 -7.615 1.00 1.00 C ATOM 356 CD1 TYR A 223 -6.685 -3.443 -8.251 1.00 1.00 C ATOM 357 CD2 TYR A 223 -4.358 -2.944 -8.379 1.00 1.00 C ATOM 358 CE1 TYR A 223 -6.810 -3.223 -9.608 1.00 1.00 C ATOM 359 CE2 TYR A 223 -4.475 -2.723 -9.735 1.00 1.00 C ATOM 360 CZ TYR A 223 -5.702 -2.863 -10.346 1.00 1.00 C ATOM 361 OH TYR A 223 -5.823 -2.638 -11.698 1.00 1.00 O ATOM 0 H TYR A 223 -3.940 -1.486 -6.258 1.00 1.00 H new ATOM 0 HA TYR A 223 -6.643 -2.026 -5.407 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -4.320 -3.910 -5.918 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -6.018 -4.337 -5.836 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -7.554 -3.725 -7.676 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -3.395 -2.833 -7.904 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -7.771 -3.332 -10.089 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -3.609 -2.441 -10.315 1.00 1.00 H new ATOM 0 HH TYR A 223 -4.950 -2.392 -12.068 1.00 1.00 H new ATOM 371 N LEU A 224 -6.197 -2.122 -2.943 1.00 1.00 N ATOM 372 CA LEU A 224 -6.026 -2.309 -1.512 1.00 1.00 C ATOM 373 C LEU A 224 -7.128 -3.187 -0.932 1.00 1.00 C ATOM 374 O LEU A 224 -7.920 -3.773 -1.679 1.00 1.00 O ATOM 375 CB LEU A 224 -5.992 -0.943 -0.824 1.00 1.00 C ATOM 376 CG LEU A 224 -5.047 0.074 -1.479 1.00 1.00 C ATOM 377 CD1 LEU A 224 -5.281 1.469 -0.927 1.00 1.00 C ATOM 378 CD2 LEU A 224 -3.594 -0.338 -1.284 1.00 1.00 C ATOM 0 H LEU A 224 -7.031 -1.596 -3.204 1.00 1.00 H new ATOM 0 HA LEU A 224 -5.081 -2.823 -1.334 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -7.001 -0.530 -0.814 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -5.694 -1.081 0.215 1.00 1.00 H new ATOM 0 HG LEU A 224 -5.262 0.091 -2.548 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -4.599 2.170 -1.408 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -6.310 1.771 -1.125 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -5.103 1.469 0.148 1.00 1.00 H new ATOM 0 HD21 LEU A 224 -2.941 0.396 -1.756 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -3.371 -0.391 -0.218 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -3.429 -1.315 -1.738 1.00 1.00 H new ATOM 390 N CYS A 225 -7.165 -3.275 0.396 1.00 1.00 N ATOM 391 CA CYS A 225 -8.147 -4.088 1.099 1.00 1.00 C ATOM 392 C CYS A 225 -9.566 -3.652 0.757 1.00 1.00 C ATOM 393 O CYS A 225 -10.258 -4.272 -0.047 1.00 1.00 O ATOM 394 CB CYS A 225 -7.922 -3.966 2.613 1.00 1.00 C ATOM 395 SG CYS A 225 -7.820 -2.244 3.225 1.00 1.00 S ATOM 0 H CYS A 225 -6.515 -2.785 1.011 1.00 1.00 H new ATOM 0 HA CYS A 225 -8.023 -5.125 0.786 1.00 1.00 H new ATOM 0 HB2 CYS A 225 -8.734 -4.475 3.131 1.00 1.00 H new ATOM 0 HB3 CYS A 225 -7.001 -4.487 2.874 1.00 1.00 H new ATOM 400 N ASN A 226 -9.969 -2.574 1.391 1.00 1.00 N ATOM 401 CA ASN A 226 -11.283 -1.988 1.210 1.00 1.00 C ATOM 402 C ASN A 226 -11.322 -0.669 1.956 1.00 1.00 C ATOM 403 O ASN A 226 -11.750 0.354 1.425 1.00 1.00 O ATOM 404 CB ASN A 226 -12.375 -2.922 1.739 1.00 1.00 C ATOM 405 CG ASN A 226 -13.701 -2.721 1.036 1.00 1.00 C ATOM 406 OD1 ASN A 226 -14.441 -1.781 1.329 1.00 1.00 O ATOM 407 ND2 ASN A 226 -14.017 -3.613 0.113 1.00 1.00 N ATOM 0 H ASN A 226 -9.385 -2.070 2.058 1.00 1.00 H new ATOM 0 HA ASN A 226 -11.468 -1.829 0.148 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -12.055 -3.957 1.615 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -12.505 -2.754 2.808 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -14.903 -3.538 -0.387 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -13.375 -4.377 -0.099 1.00 1.00 H new ATOM 414 N ALA A 227 -10.825 -0.703 3.187 1.00 1.00 N ATOM 415 CA ALA A 227 -10.773 0.480 4.030 1.00 1.00 C ATOM 416 C ALA A 227 -9.721 1.441 3.505 1.00 1.00 C ATOM 417 O ALA A 227 -9.939 2.652 3.453 1.00 1.00 O ATOM 418 CB ALA A 227 -10.474 0.094 5.471 1.00 1.00 C ATOM 0 H ALA A 227 -10.450 -1.545 3.624 1.00 1.00 H new ATOM 0 HA ALA A 227 -11.744 0.975 4.006 1.00 1.00 H new ATOM 0 HB1 ALA A 227 -10.439 0.992 6.088 1.00 1.00 H new ATOM 0 HB2 ALA A 227 -11.256 -0.569 5.840 1.00 1.00 H new ATOM 0 HB3 ALA A 227 -9.512 -0.417 5.519 1.00 1.00 H new ATOM 424 N CYS A 228 -8.578 0.892 3.108 1.00 1.00 N ATOM 425 CA CYS A 228 -7.504 1.699 2.564 1.00 1.00 C ATOM 426 C CYS A 228 -7.919 2.259 1.205 1.00 1.00 C ATOM 427 O CYS A 228 -7.585 3.391 0.861 1.00 1.00 O ATOM 428 CB CYS A 228 -6.231 0.869 2.424 1.00 1.00 C ATOM 429 SG CYS A 228 -5.601 0.198 3.994 1.00 1.00 S ATOM 0 H CYS A 228 -8.376 -0.107 3.155 1.00 1.00 H new ATOM 0 HA CYS A 228 -7.303 2.525 3.246 1.00 1.00 H new ATOM 0 HB2 CYS A 228 -6.423 0.043 1.740 1.00 1.00 H new ATOM 0 HB3 CYS A 228 -5.456 1.486 1.969 1.00 1.00 H new ATOM 434 N GLY A 229 -8.658 1.451 0.446 1.00 1.00 N ATOM 435 CA GLY A 229 -9.129 1.874 -0.860 1.00 1.00 C ATOM 436 C GLY A 229 -10.064 3.060 -0.759 1.00 1.00 C ATOM 437 O GLY A 229 -9.890 4.059 -1.459 1.00 1.00 O ATOM 0 H GLY A 229 -8.939 0.508 0.715 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -8.277 2.134 -1.488 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -9.643 1.046 -1.348 1.00 1.00 H new ATOM 441 N LEU A 230 -11.046 2.957 0.131 1.00 1.00 N ATOM 442 CA LEU A 230 -12.005 4.034 0.339 1.00 1.00 C ATOM 443 C LEU A 230 -11.298 5.285 0.847 1.00 1.00 C ATOM 444 O LEU A 230 -11.541 6.392 0.361 1.00 1.00 O ATOM 445 CB LEU A 230 -13.089 3.607 1.334 1.00 1.00 C ATOM 446 CG LEU A 230 -14.020 2.494 0.849 1.00 1.00 C ATOM 447 CD1 LEU A 230 -15.016 2.119 1.937 1.00 1.00 C ATOM 448 CD2 LEU A 230 -14.745 2.920 -0.419 1.00 1.00 C ATOM 0 H LEU A 230 -11.198 2.138 0.720 1.00 1.00 H new ATOM 0 HA LEU A 230 -12.477 4.258 -0.617 1.00 1.00 H new ATOM 0 HB2 LEU A 230 -12.605 3.278 2.254 1.00 1.00 H new ATOM 0 HB3 LEU A 230 -13.692 4.479 1.585 1.00 1.00 H new ATOM 0 HG LEU A 230 -13.417 1.615 0.620 1.00 1.00 H new ATOM 0 HD11 LEU A 230 -15.670 1.326 1.574 1.00 1.00 H new ATOM 0 HD12 LEU A 230 -14.478 1.771 2.819 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -15.615 2.992 2.199 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -15.403 2.116 -0.750 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -15.336 3.813 -0.217 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -14.016 3.136 -1.200 1.00 1.00 H new ATOM 460 N TYR A 231 -10.409 5.096 1.817 1.00 1.00 N ATOM 461 CA TYR A 231 -9.653 6.199 2.392 1.00 1.00 C ATOM 462 C TYR A 231 -8.810 6.890 1.327 1.00 1.00 C ATOM 463 O TYR A 231 -8.789 8.115 1.242 1.00 1.00 O ATOM 464 CB TYR A 231 -8.750 5.698 3.524 1.00 1.00 C ATOM 465 CG TYR A 231 -7.809 6.755 4.059 1.00 1.00 C ATOM 466 CD1 TYR A 231 -8.295 7.881 4.712 1.00 1.00 C ATOM 467 CD2 TYR A 231 -6.434 6.632 3.901 1.00 1.00 C ATOM 468 CE1 TYR A 231 -7.440 8.854 5.190 1.00 1.00 C ATOM 469 CE2 TYR A 231 -5.572 7.600 4.380 1.00 1.00 C ATOM 470 CZ TYR A 231 -6.082 8.710 5.023 1.00 1.00 C ATOM 471 OH TYR A 231 -5.229 9.681 5.496 1.00 1.00 O ATOM 0 H TYR A 231 -10.195 4.184 2.222 1.00 1.00 H new ATOM 0 HA TYR A 231 -10.364 6.919 2.797 1.00 1.00 H new ATOM 0 HB2 TYR A 231 -9.373 5.331 4.340 1.00 1.00 H new ATOM 0 HB3 TYR A 231 -8.166 4.851 3.164 1.00 1.00 H new ATOM 0 HD1 TYR A 231 -9.360 7.997 4.848 1.00 1.00 H new ATOM 0 HD2 TYR A 231 -6.033 5.766 3.396 1.00 1.00 H new ATOM 0 HE1 TYR A 231 -7.835 9.724 5.693 1.00 1.00 H new ATOM 0 HE2 TYR A 231 -4.505 7.489 4.252 1.00 1.00 H new ATOM 0 HH TYR A 231 -4.303 9.428 5.299 1.00 1.00 H new ATOM 481 N HIS A 232 -8.129 6.097 0.511 1.00 1.00 N ATOM 482 CA HIS A 232 -7.280 6.630 -0.547 1.00 1.00 C ATOM 483 C HIS A 232 -8.091 7.486 -1.515 1.00 1.00 C ATOM 484 O HIS A 232 -7.662 8.570 -1.910 1.00 1.00 O ATOM 485 CB HIS A 232 -6.602 5.489 -1.301 1.00 1.00 C ATOM 486 CG HIS A 232 -5.171 5.757 -1.643 1.00 1.00 C ATOM 487 ND1 HIS A 232 -4.753 6.114 -2.903 1.00 1.00 N ATOM 488 CD2 HIS A 232 -4.056 5.709 -0.882 1.00 1.00 C ATOM 489 CE1 HIS A 232 -3.446 6.271 -2.904 1.00 1.00 C ATOM 490 NE2 HIS A 232 -2.993 6.032 -1.689 1.00 1.00 N ATOM 0 H HIS A 232 -8.148 5.078 0.562 1.00 1.00 H new ATOM 0 HA HIS A 232 -6.517 7.259 -0.088 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -6.658 4.583 -0.697 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -7.155 5.294 -2.220 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -5.362 6.238 -3.712 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -4.009 5.462 0.168 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -2.845 6.549 -3.757 1.00 1.00 H new ATOM 499 N LYS A 233 -9.272 6.998 -1.880 1.00 1.00 N ATOM 500 CA LYS A 233 -10.151 7.717 -2.797 1.00 1.00 C ATOM 501 C LYS A 233 -10.667 9.007 -2.170 1.00 1.00 C ATOM 502 O LYS A 233 -10.687 10.056 -2.814 1.00 1.00 O ATOM 503 CB LYS A 233 -11.336 6.843 -3.203 1.00 1.00 C ATOM 504 CG LYS A 233 -10.961 5.693 -4.117 1.00 1.00 C ATOM 505 CD LYS A 233 -12.196 5.005 -4.667 1.00 1.00 C ATOM 506 CE LYS A 233 -12.928 5.898 -5.652 1.00 1.00 C ATOM 507 NZ LYS A 233 -14.276 5.370 -5.977 1.00 1.00 N ATOM 0 H LYS A 233 -9.644 6.106 -1.554 1.00 1.00 H new ATOM 0 HA LYS A 233 -9.565 7.967 -3.682 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -11.806 6.443 -2.304 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -12.080 7.464 -3.702 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -10.351 6.064 -4.941 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -10.354 4.973 -3.569 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -11.909 4.075 -5.158 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -12.863 4.740 -3.847 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -13.021 6.900 -5.234 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -12.342 5.987 -6.567 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -14.745 6.007 -6.652 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -14.186 4.424 -6.399 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -14.844 5.309 -5.108 1.00 1.00 H new ATOM 521 N MET A 234 -11.084 8.919 -0.912 1.00 1.00 N ATOM 522 CA MET A 234 -11.608 10.076 -0.193 1.00 1.00 C ATOM 523 C MET A 234 -10.516 11.111 0.039 1.00 1.00 C ATOM 524 O MET A 234 -10.750 12.313 -0.097 1.00 1.00 O ATOM 525 CB MET A 234 -12.223 9.648 1.142 1.00 1.00 C ATOM 526 CG MET A 234 -13.520 8.877 0.982 1.00 1.00 C ATOM 527 SD MET A 234 -14.086 8.135 2.522 1.00 1.00 S ATOM 528 CE MET A 234 -15.588 7.331 1.969 1.00 1.00 C ATOM 0 H MET A 234 -11.070 8.057 -0.367 1.00 1.00 H new ATOM 0 HA MET A 234 -12.387 10.529 -0.807 1.00 1.00 H new ATOM 0 HB2 MET A 234 -11.506 9.032 1.684 1.00 1.00 H new ATOM 0 HB3 MET A 234 -12.407 10.533 1.751 1.00 1.00 H new ATOM 0 HG2 MET A 234 -14.291 9.547 0.602 1.00 1.00 H new ATOM 0 HG3 MET A 234 -13.382 8.094 0.236 1.00 1.00 H new ATOM 0 HE1 MET A 234 -16.060 6.823 2.810 1.00 1.00 H new ATOM 0 HE2 MET A 234 -16.272 8.077 1.565 1.00 1.00 H new ATOM 0 HE3 MET A 234 -15.347 6.603 1.195 1.00 1.00 H new ATOM 538 N ASN A 235 -9.324 10.641 0.375 1.00 1.00 N ATOM 539 CA ASN A 235 -8.192 11.523 0.618 1.00 1.00 C ATOM 540 C ASN A 235 -7.751 12.189 -0.682 1.00 1.00 C ATOM 541 O ASN A 235 -7.650 13.413 -0.757 1.00 1.00 O ATOM 542 CB ASN A 235 -7.024 10.736 1.222 1.00 1.00 C ATOM 543 CG ASN A 235 -6.005 11.610 1.939 1.00 1.00 C ATOM 544 OD1 ASN A 235 -5.875 12.863 1.525 1.00 1.00 O flip ATOM 545 ND2 ASN A 235 -5.335 11.157 2.868 1.00 1.00 N flip ATOM 0 H ASN A 235 -9.115 9.649 0.486 1.00 1.00 H new ATOM 0 HA ASN A 235 -8.501 12.294 1.324 1.00 1.00 H new ATOM 0 HB2 ASN A 235 -7.417 10.001 1.924 1.00 1.00 H new ATOM 0 HB3 ASN A 235 -6.521 10.183 0.429 1.00 1.00 H new ATOM 0 HD21 ASN A 235 -5.460 10.188 3.162 1.00 1.00 H new ATOM 0 HD22 ASN A 235 -4.655 11.751 3.344 1.00 1.00 H new ATOM 552 N GLY A 236 -7.481 11.378 -1.699 1.00 1.00 N ATOM 553 CA GLY A 236 -7.061 11.910 -2.983 1.00 1.00 C ATOM 554 C GLY A 236 -5.553 11.923 -3.145 1.00 1.00 C ATOM 555 O GLY A 236 -5.042 12.070 -4.254 1.00 1.00 O ATOM 0 H GLY A 236 -7.545 10.361 -1.657 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -7.503 11.314 -3.781 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -7.443 12.925 -3.094 1.00 1.00 H new ATOM 559 N GLN A 237 -4.842 11.760 -2.038 1.00 1.00 N ATOM 560 CA GLN A 237 -3.385 11.759 -2.054 1.00 1.00 C ATOM 561 C GLN A 237 -2.854 10.339 -2.194 1.00 1.00 C ATOM 562 O GLN A 237 -3.620 9.375 -2.176 1.00 1.00 O ATOM 563 CB GLN A 237 -2.833 12.392 -0.771 1.00 1.00 C ATOM 564 CG GLN A 237 -3.150 13.874 -0.629 1.00 1.00 C ATOM 565 CD GLN A 237 -2.795 14.408 0.744 1.00 1.00 C ATOM 566 OE1 GLN A 237 -1.573 14.887 0.898 1.00 1.00 O flip ATOM 567 NE2 GLN A 237 -3.613 14.390 1.661 1.00 1.00 N flip ATOM 0 H GLN A 237 -5.252 11.626 -1.114 1.00 1.00 H new ATOM 0 HA GLN A 237 -3.055 12.347 -2.910 1.00 1.00 H new ATOM 0 HB2 GLN A 237 -3.239 11.860 0.089 1.00 1.00 H new ATOM 0 HB3 GLN A 237 -1.752 12.258 -0.747 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -2.603 14.435 -1.387 1.00 1.00 H new ATOM 0 HG3 GLN A 237 -4.211 14.036 -0.816 1.00 1.00 H new ATOM 0 HE21 GLN A 237 -4.547 14.012 1.504 1.00 1.00 H new ATOM 0 HE22 GLN A 237 -3.358 14.753 2.579 1.00 1.00 H new ATOM 576 N ASN A 238 -1.543 10.221 -2.342 1.00 1.00 N ATOM 577 CA ASN A 238 -0.903 8.919 -2.471 1.00 1.00 C ATOM 578 C ASN A 238 -0.823 8.245 -1.111 1.00 1.00 C ATOM 579 O ASN A 238 -0.923 8.958 -0.087 1.00 1.00 O ATOM 580 CB ASN A 238 0.500 9.055 -3.071 1.00 1.00 C ATOM 581 CG ASN A 238 0.480 9.392 -4.551 1.00 1.00 C ATOM 582 OD1 ASN A 238 0.335 10.557 -4.930 1.00 1.00 O ATOM 583 ND2 ASN A 238 0.652 8.389 -5.399 1.00 1.00 N ATOM 0 H ASN A 238 -0.900 11.012 -2.376 1.00 1.00 H new ATOM 0 HA ASN A 238 -1.504 8.306 -3.143 1.00 1.00 H new ATOM 0 HB2 ASN A 238 1.045 9.831 -2.534 1.00 1.00 H new ATOM 0 HB3 ASN A 238 1.045 8.122 -2.923 1.00 1.00 H new ATOM 0 HD21 ASN A 238 0.668 8.567 -6.403 1.00 1.00 H new ATOM 0 HD22 ASN A 238 0.769 7.439 -5.048 1.00 1.00 H new TER 590 ASN A 238 ATOM 591 N GLY B 1 15.987 5.581 -0.639 1.00 1.00 N ATOM 592 CA GLY B 1 15.576 4.216 -1.050 1.00 1.00 C ATOM 593 C GLY B 1 16.547 3.597 -2.034 1.00 1.00 C ATOM 594 O GLY B 1 16.434 3.819 -3.243 1.00 1.00 O ATOM 0 H1 GLY B 1 15.293 5.965 0.034 1.00 1.00 H new ATOM 0 H2 GLY B 1 16.923 5.540 -0.187 1.00 1.00 H new ATOM 0 H3 GLY B 1 16.034 6.196 -1.476 1.00 1.00 H new ATOM 0 HA2 GLY B 1 15.501 3.580 -0.168 1.00 1.00 H new ATOM 0 HA3 GLY B 1 14.584 4.257 -1.499 1.00 1.00 H new ATOM 600 N SER B 2 17.506 2.831 -1.509 1.00 1.00 N ATOM 601 CA SER B 2 18.522 2.158 -2.321 1.00 1.00 C ATOM 602 C SER B 2 19.397 3.175 -3.064 1.00 1.00 C ATOM 603 O SER B 2 19.266 4.386 -2.871 1.00 1.00 O ATOM 604 CB SER B 2 17.863 1.186 -3.312 1.00 1.00 C ATOM 605 OG SER B 2 16.912 0.347 -2.666 1.00 1.00 O ATOM 0 H SER B 2 17.600 2.660 -0.508 1.00 1.00 H new ATOM 0 HA SER B 2 19.165 1.587 -1.651 1.00 1.00 H new ATOM 0 HB2 SER B 2 17.372 1.750 -4.105 1.00 1.00 H new ATOM 0 HB3 SER B 2 18.629 0.572 -3.785 1.00 1.00 H new ATOM 0 HG SER B 2 17.314 -0.530 -2.493 1.00 1.00 H new ATOM 611 N LEU B 3 20.299 2.684 -3.901 1.00 1.00 N ATOM 612 CA LEU B 3 21.178 3.560 -4.662 1.00 1.00 C ATOM 613 C LEU B 3 20.560 3.919 -6.008 1.00 1.00 C ATOM 614 O LEU B 3 20.764 3.214 -7.000 1.00 1.00 O ATOM 615 CB LEU B 3 22.548 2.907 -4.867 1.00 1.00 C ATOM 616 CG LEU B 3 23.574 3.202 -3.774 1.00 1.00 C ATOM 617 CD1 LEU B 3 24.929 2.620 -4.146 1.00 1.00 C ATOM 618 CD2 LEU B 3 23.681 4.701 -3.539 1.00 1.00 C ATOM 0 H LEU B 3 20.441 1.688 -4.070 1.00 1.00 H new ATOM 0 HA LEU B 3 21.311 4.478 -4.089 1.00 1.00 H new ATOM 0 HB2 LEU B 3 22.413 1.828 -4.936 1.00 1.00 H new ATOM 0 HB3 LEU B 3 22.952 3.239 -5.823 1.00 1.00 H new ATOM 0 HG LEU B 3 23.241 2.731 -2.849 1.00 1.00 H new ATOM 0 HD11 LEU B 3 25.648 2.839 -3.357 1.00 1.00 H new ATOM 0 HD12 LEU B 3 24.841 1.540 -4.267 1.00 1.00 H new ATOM 0 HD13 LEU B 3 25.271 3.063 -5.082 1.00 1.00 H new ATOM 0 HD21 LEU B 3 24.416 4.895 -2.758 1.00 1.00 H new ATOM 0 HD22 LEU B 3 23.993 5.192 -4.461 1.00 1.00 H new ATOM 0 HD23 LEU B 3 22.711 5.091 -3.230 1.00 1.00 H new ATOM 630 N LEU B 4 19.793 5.013 -6.017 1.00 1.00 N ATOM 631 CA LEU B 4 19.119 5.524 -7.220 1.00 1.00 C ATOM 632 C LEU B 4 17.945 4.639 -7.635 1.00 1.00 C ATOM 633 O LEU B 4 16.807 5.103 -7.720 1.00 1.00 O ATOM 634 CB LEU B 4 20.107 5.686 -8.384 1.00 1.00 C ATOM 635 CG LEU B 4 20.561 7.122 -8.655 1.00 1.00 C ATOM 636 CD1 LEU B 4 19.394 7.966 -9.144 1.00 1.00 C ATOM 637 CD2 LEU B 4 21.175 7.733 -7.406 1.00 1.00 C ATOM 0 H LEU B 4 19.619 5.575 -5.184 1.00 1.00 H new ATOM 0 HA LEU B 4 18.720 6.506 -6.967 1.00 1.00 H new ATOM 0 HB2 LEU B 4 20.987 5.075 -8.181 1.00 1.00 H new ATOM 0 HB3 LEU B 4 19.646 5.290 -9.289 1.00 1.00 H new ATOM 0 HG LEU B 4 21.322 7.101 -9.436 1.00 1.00 H new ATOM 0 HD11 LEU B 4 19.735 8.984 -9.332 1.00 1.00 H new ATOM 0 HD12 LEU B 4 18.998 7.540 -10.066 1.00 1.00 H new ATOM 0 HD13 LEU B 4 18.612 7.979 -8.385 1.00 1.00 H new ATOM 0 HD21 LEU B 4 21.492 8.754 -7.618 1.00 1.00 H new ATOM 0 HD22 LEU B 4 20.437 7.742 -6.604 1.00 1.00 H new ATOM 0 HD23 LEU B 4 22.038 7.142 -7.098 1.00 1.00 H new ATOM 649 N LYS B 5 18.218 3.373 -7.901 1.00 1.00 N ATOM 650 CA LYS B 5 17.179 2.439 -8.301 1.00 1.00 C ATOM 651 C LYS B 5 16.757 1.590 -7.111 1.00 1.00 C ATOM 652 O LYS B 5 17.585 0.915 -6.503 1.00 1.00 O ATOM 653 CB LYS B 5 17.658 1.544 -9.446 1.00 1.00 C ATOM 654 CG LYS B 5 18.097 2.313 -10.684 1.00 1.00 C ATOM 655 CD LYS B 5 17.998 1.458 -11.937 1.00 1.00 C ATOM 656 CE LYS B 5 16.548 1.176 -12.304 1.00 1.00 C ATOM 657 NZ LYS B 5 16.435 0.256 -13.464 1.00 1.00 N ATOM 0 H LYS B 5 19.152 2.968 -7.847 1.00 1.00 H new ATOM 0 HA LYS B 5 16.321 3.011 -8.654 1.00 1.00 H new ATOM 0 HB2 LYS B 5 18.490 0.934 -9.094 1.00 1.00 H new ATOM 0 HB3 LYS B 5 16.855 0.860 -9.720 1.00 1.00 H new ATOM 0 HG2 LYS B 5 17.477 3.202 -10.800 1.00 1.00 H new ATOM 0 HG3 LYS B 5 19.124 2.655 -10.556 1.00 1.00 H new ATOM 0 HD2 LYS B 5 18.492 1.965 -12.765 1.00 1.00 H new ATOM 0 HD3 LYS B 5 18.525 0.517 -11.780 1.00 1.00 H new ATOM 0 HE2 LYS B 5 16.035 0.742 -11.446 1.00 1.00 H new ATOM 0 HE3 LYS B 5 16.044 2.114 -12.535 1.00 1.00 H new ATOM 0 HZ1 LYS B 5 15.431 0.091 -13.680 1.00 1.00 H new ATOM 0 HZ2 LYS B 5 16.902 0.681 -14.291 1.00 1.00 H new ATOM 0 HZ3 LYS B 5 16.893 -0.649 -13.235 1.00 1.00 H new ATOM 671 N PRO B 6 15.465 1.635 -6.753 1.00 1.00 N ATOM 672 CA PRO B 6 14.923 0.867 -5.629 1.00 1.00 C ATOM 673 C PRO B 6 15.064 -0.639 -5.834 1.00 1.00 C ATOM 674 O PRO B 6 14.402 -1.232 -6.691 1.00 1.00 O ATOM 675 CB PRO B 6 13.441 1.266 -5.592 1.00 1.00 C ATOM 676 CG PRO B 6 13.360 2.538 -6.365 1.00 1.00 C ATOM 677 CD PRO B 6 14.432 2.449 -7.411 1.00 1.00 C ATOM 0 HA PRO B 6 15.455 1.081 -4.702 1.00 1.00 H new ATOM 0 HB2 PRO B 6 12.814 0.494 -6.038 1.00 1.00 H new ATOM 0 HB3 PRO B 6 13.096 1.405 -4.567 1.00 1.00 H new ATOM 0 HG2 PRO B 6 12.377 2.656 -6.821 1.00 1.00 H new ATOM 0 HG3 PRO B 6 13.517 3.400 -5.717 1.00 1.00 H new ATOM 0 HD2 PRO B 6 14.068 1.978 -8.324 1.00 1.00 H new ATOM 0 HD3 PRO B 6 14.809 3.433 -7.688 1.00 1.00 H new ATOM 685 N ALA B 7 15.939 -1.251 -5.049 1.00 1.00 N ATOM 686 CA ALA B 7 16.171 -2.685 -5.131 1.00 1.00 C ATOM 687 C ALA B 7 15.578 -3.385 -3.914 1.00 1.00 C ATOM 688 O ALA B 7 15.714 -4.597 -3.741 1.00 1.00 O ATOM 689 CB ALA B 7 17.661 -2.971 -5.242 1.00 1.00 C ATOM 0 H ALA B 7 16.502 -0.774 -4.345 1.00 1.00 H new ATOM 0 HA ALA B 7 15.679 -3.071 -6.024 1.00 1.00 H new ATOM 0 HB1 ALA B 7 17.821 -4.047 -5.303 1.00 1.00 H new ATOM 0 HB2 ALA B 7 18.057 -2.494 -6.138 1.00 1.00 H new ATOM 0 HB3 ALA B 7 18.174 -2.577 -4.365 1.00 1.00 H new ATOM 695 N ARG B 8 14.914 -2.609 -3.072 1.00 1.00 N ATOM 696 CA ARG B 8 14.297 -3.138 -1.869 1.00 1.00 C ATOM 697 C ARG B 8 12.783 -3.211 -2.021 1.00 1.00 C ATOM 698 O ARG B 8 12.127 -2.207 -2.289 1.00 1.00 O ATOM 699 CB ARG B 8 14.662 -2.272 -0.667 1.00 1.00 C ATOM 700 CG ARG B 8 16.090 -2.470 -0.195 1.00 1.00 C ATOM 701 CD ARG B 8 16.280 -3.848 0.410 1.00 1.00 C ATOM 702 NE ARG B 8 17.686 -4.233 0.458 1.00 1.00 N ATOM 703 CZ ARG B 8 18.165 -5.359 -0.067 1.00 1.00 C ATOM 704 NH1 ARG B 8 17.352 -6.194 -0.700 1.00 1.00 N ATOM 705 NH2 ARG B 8 19.456 -5.642 0.036 1.00 1.00 N ATOM 0 H ARG B 8 14.789 -1.605 -3.202 1.00 1.00 H new ATOM 0 HA ARG B 8 14.674 -4.148 -1.708 1.00 1.00 H new ATOM 0 HB2 ARG B 8 14.514 -1.223 -0.926 1.00 1.00 H new ATOM 0 HB3 ARG B 8 13.981 -2.497 0.154 1.00 1.00 H new ATOM 0 HG2 ARG B 8 16.774 -2.340 -1.033 1.00 1.00 H new ATOM 0 HG3 ARG B 8 16.341 -1.708 0.543 1.00 1.00 H new ATOM 0 HD2 ARG B 8 15.865 -3.862 1.418 1.00 1.00 H new ATOM 0 HD3 ARG B 8 15.723 -4.581 -0.174 1.00 1.00 H new ATOM 0 HE ARG B 8 18.341 -3.603 0.921 1.00 1.00 H new ATOM 0 HH11 ARG B 8 16.360 -5.974 -0.785 1.00 1.00 H new ATOM 0 HH12 ARG B 8 17.719 -7.057 -1.102 1.00 1.00 H new ATOM 0 HH21 ARG B 8 20.083 -4.997 0.518 1.00 1.00 H new ATOM 0 HH22 ARG B 8 19.823 -6.505 -0.366 1.00 1.00 H new ATOM 719 N PHE B 9 12.239 -4.407 -1.856 1.00 1.00 N ATOM 720 CA PHE B 9 10.803 -4.624 -1.964 1.00 1.00 C ATOM 721 C PHE B 9 10.245 -5.119 -0.634 1.00 1.00 C ATOM 722 O PHE B 9 9.196 -5.757 -0.579 1.00 1.00 O ATOM 723 CB PHE B 9 10.495 -5.627 -3.083 1.00 1.00 C ATOM 724 CG PHE B 9 11.638 -6.550 -3.410 1.00 1.00 C ATOM 725 CD1 PHE B 9 11.880 -7.678 -2.643 1.00 1.00 C ATOM 726 CD2 PHE B 9 12.472 -6.287 -4.487 1.00 1.00 C ATOM 727 CE1 PHE B 9 12.928 -8.526 -2.944 1.00 1.00 C ATOM 728 CE2 PHE B 9 13.521 -7.132 -4.792 1.00 1.00 C ATOM 729 CZ PHE B 9 13.750 -8.253 -4.020 1.00 1.00 C ATOM 0 H PHE B 9 12.775 -5.249 -1.645 1.00 1.00 H new ATOM 0 HA PHE B 9 10.324 -3.677 -2.212 1.00 1.00 H new ATOM 0 HB2 PHE B 9 9.631 -6.224 -2.793 1.00 1.00 H new ATOM 0 HB3 PHE B 9 10.216 -5.078 -3.982 1.00 1.00 H new ATOM 0 HD1 PHE B 9 11.242 -7.897 -1.800 1.00 1.00 H new ATOM 0 HD2 PHE B 9 12.299 -5.411 -5.094 1.00 1.00 H new ATOM 0 HE1 PHE B 9 13.105 -9.402 -2.338 1.00 1.00 H new ATOM 0 HE2 PHE B 9 14.162 -6.916 -5.634 1.00 1.00 H new ATOM 0 HZ PHE B 9 14.570 -8.915 -4.257 1.00 1.00 H new ATOM 739 N MET B 10 10.960 -4.812 0.439 1.00 1.00 N ATOM 740 CA MET B 10 10.558 -5.214 1.776 1.00 1.00 C ATOM 741 C MET B 10 11.046 -4.192 2.790 1.00 1.00 C ATOM 742 O MET B 10 12.153 -3.668 2.660 1.00 1.00 O ATOM 743 CB MET B 10 11.119 -6.599 2.118 1.00 1.00 C ATOM 744 CG MET B 10 10.856 -7.020 3.555 1.00 1.00 C ATOM 745 SD MET B 10 11.731 -8.528 4.012 1.00 1.00 S ATOM 746 CE MET B 10 11.375 -8.592 5.766 1.00 1.00 C ATOM 0 H MET B 10 11.830 -4.280 0.406 1.00 1.00 H new ATOM 0 HA MET B 10 9.470 -5.265 1.810 1.00 1.00 H new ATOM 0 HB2 MET B 10 10.681 -7.336 1.445 1.00 1.00 H new ATOM 0 HB3 MET B 10 12.194 -6.602 1.937 1.00 1.00 H new ATOM 0 HG2 MET B 10 11.155 -6.214 4.225 1.00 1.00 H new ATOM 0 HG3 MET B 10 9.785 -7.170 3.695 1.00 1.00 H new ATOM 0 HE1 MET B 10 11.848 -9.472 6.201 1.00 1.00 H new ATOM 0 HE2 MET B 10 11.763 -7.695 6.249 1.00 1.00 H new ATOM 0 HE3 MET B 10 10.297 -8.647 5.917 1.00 1.00 H new ATOM 756 N CYS B 11 10.217 -3.902 3.781 1.00 1.00 N ATOM 757 CA CYS B 11 10.573 -2.950 4.817 1.00 1.00 C ATOM 758 C CYS B 11 11.282 -3.658 5.965 1.00 1.00 C ATOM 759 O CYS B 11 11.071 -4.849 6.201 1.00 1.00 O ATOM 760 CB CYS B 11 9.325 -2.236 5.335 1.00 1.00 C ATOM 761 SG CYS B 11 9.677 -0.812 6.415 1.00 1.00 S ATOM 0 H CYS B 11 9.290 -4.315 3.888 1.00 1.00 H new ATOM 0 HA CYS B 11 11.249 -2.210 4.388 1.00 1.00 H new ATOM 0 HB2 CYS B 11 8.735 -1.896 4.484 1.00 1.00 H new ATOM 0 HB3 CYS B 11 8.712 -2.951 5.883 1.00 1.00 H new ATOM 766 N LEU B 12 12.117 -2.917 6.670 1.00 1.00 N ATOM 767 CA LEU B 12 12.865 -3.459 7.794 1.00 1.00 C ATOM 768 C LEU B 12 12.257 -3.013 9.132 1.00 1.00 C ATOM 769 O LEU B 12 11.924 -3.861 9.962 1.00 1.00 O ATOM 770 CB LEU B 12 14.341 -3.051 7.709 1.00 1.00 C ATOM 771 CG LEU B 12 15.098 -3.585 6.492 1.00 1.00 C ATOM 772 CD1 LEU B 12 16.391 -2.810 6.290 1.00 1.00 C ATOM 773 CD2 LEU B 12 15.387 -5.068 6.662 1.00 1.00 C ATOM 0 H LEU B 12 12.296 -1.930 6.483 1.00 1.00 H new ATOM 0 HA LEU B 12 12.804 -4.546 7.743 1.00 1.00 H new ATOM 0 HB2 LEU B 12 14.400 -1.963 7.704 1.00 1.00 H new ATOM 0 HB3 LEU B 12 14.848 -3.394 8.611 1.00 1.00 H new ATOM 0 HG LEU B 12 14.475 -3.452 5.607 1.00 1.00 H new ATOM 0 HD11 LEU B 12 16.918 -3.202 5.420 1.00 1.00 H new ATOM 0 HD12 LEU B 12 16.163 -1.756 6.131 1.00 1.00 H new ATOM 0 HD13 LEU B 12 17.020 -2.916 7.174 1.00 1.00 H new ATOM 0 HD21 LEU B 12 15.926 -5.436 5.789 1.00 1.00 H new ATOM 0 HD22 LEU B 12 15.994 -5.220 7.554 1.00 1.00 H new ATOM 0 HD23 LEU B 12 14.448 -5.612 6.765 1.00 1.00 H new ATOM 785 N PRO B 13 12.099 -1.686 9.372 1.00 1.00 N ATOM 786 CA PRO B 13 11.528 -1.178 10.628 1.00 1.00 C ATOM 787 C PRO B 13 10.073 -1.588 10.822 1.00 1.00 C ATOM 788 O PRO B 13 9.670 -1.975 11.920 1.00 1.00 O ATOM 789 CB PRO B 13 11.631 0.348 10.498 1.00 1.00 C ATOM 790 CG PRO B 13 12.615 0.582 9.408 1.00 1.00 C ATOM 791 CD PRO B 13 12.469 -0.580 8.473 1.00 1.00 C ATOM 0 HA PRO B 13 12.058 -1.581 11.491 1.00 1.00 H new ATOM 0 HB2 PRO B 13 10.664 0.789 10.256 1.00 1.00 H new ATOM 0 HB3 PRO B 13 11.963 0.801 11.432 1.00 1.00 H new ATOM 0 HG2 PRO B 13 12.416 1.524 8.896 1.00 1.00 H new ATOM 0 HG3 PRO B 13 13.629 0.642 9.803 1.00 1.00 H new ATOM 0 HD2 PRO B 13 11.702 -0.398 7.720 1.00 1.00 H new ATOM 0 HD3 PRO B 13 13.396 -0.787 7.939 1.00 1.00 H new ATOM 799 N CYS B 14 9.280 -1.492 9.763 1.00 1.00 N ATOM 800 CA CYS B 14 7.879 -1.862 9.838 1.00 1.00 C ATOM 801 C CYS B 14 7.737 -3.378 9.900 1.00 1.00 C ATOM 802 O CYS B 14 7.147 -3.923 10.835 1.00 1.00 O ATOM 803 CB CYS B 14 7.121 -1.296 8.637 1.00 1.00 C ATOM 804 SG CYS B 14 7.311 0.506 8.424 1.00 1.00 S ATOM 0 H CYS B 14 9.584 -1.162 8.847 1.00 1.00 H new ATOM 0 HA CYS B 14 7.449 -1.440 10.747 1.00 1.00 H new ATOM 0 HB2 CYS B 14 7.467 -1.797 7.733 1.00 1.00 H new ATOM 0 HB3 CYS B 14 6.062 -1.529 8.746 1.00 1.00 H new ATOM 809 N GLY B 15 8.282 -4.051 8.901 1.00 1.00 N ATOM 810 CA GLY B 15 8.219 -5.497 8.859 1.00 1.00 C ATOM 811 C GLY B 15 7.180 -6.008 7.886 1.00 1.00 C ATOM 812 O GLY B 15 7.267 -7.142 7.420 1.00 1.00 O ATOM 0 H GLY B 15 8.769 -3.621 8.115 1.00 1.00 H new ATOM 0 HA2 GLY B 15 9.196 -5.891 8.581 1.00 1.00 H new ATOM 0 HA3 GLY B 15 7.995 -5.876 9.856 1.00 1.00 H new ATOM 816 N ILE B 16 6.194 -5.174 7.585 1.00 1.00 N ATOM 817 CA ILE B 16 5.134 -5.544 6.654 1.00 1.00 C ATOM 818 C ILE B 16 5.697 -5.622 5.232 1.00 1.00 C ATOM 819 O ILE B 16 5.855 -4.603 4.558 1.00 1.00 O ATOM 820 CB ILE B 16 3.949 -4.541 6.708 1.00 1.00 C ATOM 821 CG1 ILE B 16 3.417 -4.405 8.140 1.00 1.00 C ATOM 822 CG2 ILE B 16 2.822 -4.969 5.777 1.00 1.00 C ATOM 823 CD1 ILE B 16 4.037 -3.264 8.922 1.00 1.00 C ATOM 0 H ILE B 16 6.105 -4.235 7.972 1.00 1.00 H new ATOM 0 HA ILE B 16 4.752 -6.521 6.948 1.00 1.00 H new ATOM 0 HB ILE B 16 4.323 -3.573 6.376 1.00 1.00 H new ATOM 0 HG12 ILE B 16 2.337 -4.262 8.103 1.00 1.00 H new ATOM 0 HG13 ILE B 16 3.597 -5.338 8.674 1.00 1.00 H new ATOM 0 HG21 ILE B 16 2.007 -4.248 5.837 1.00 1.00 H new ATOM 0 HG22 ILE B 16 3.193 -5.014 4.753 1.00 1.00 H new ATOM 0 HG23 ILE B 16 2.458 -5.953 6.074 1.00 1.00 H new ATOM 0 HD11 ILE B 16 3.609 -3.235 9.924 1.00 1.00 H new ATOM 0 HD12 ILE B 16 5.114 -3.414 8.992 1.00 1.00 H new ATOM 0 HD13 ILE B 16 3.834 -2.322 8.413 1.00 1.00 H new ATOM 835 N ALA B 17 6.030 -6.835 4.805 1.00 1.00 N ATOM 836 CA ALA B 17 6.589 -7.063 3.478 1.00 1.00 C ATOM 837 C ALA B 17 5.509 -6.998 2.406 1.00 1.00 C ATOM 838 O ALA B 17 4.321 -7.132 2.699 1.00 1.00 O ATOM 839 CB ALA B 17 7.301 -8.406 3.430 1.00 1.00 C ATOM 0 H ALA B 17 5.921 -7.681 5.364 1.00 1.00 H new ATOM 0 HA ALA B 17 7.311 -6.272 3.276 1.00 1.00 H new ATOM 0 HB1 ALA B 17 7.714 -8.564 2.434 1.00 1.00 H new ATOM 0 HB2 ALA B 17 8.108 -8.416 4.163 1.00 1.00 H new ATOM 0 HB3 ALA B 17 6.592 -9.202 3.659 1.00 1.00 H new ATOM 845 N PHE B 18 5.927 -6.804 1.164 1.00 1.00 N ATOM 846 CA PHE B 18 4.993 -6.709 0.054 1.00 1.00 C ATOM 847 C PHE B 18 5.407 -7.619 -1.089 1.00 1.00 C ATOM 848 O PHE B 18 6.474 -8.232 -1.055 1.00 1.00 O ATOM 849 CB PHE B 18 4.910 -5.270 -0.442 1.00 1.00 C ATOM 850 CG PHE B 18 3.909 -4.440 0.306 1.00 1.00 C ATOM 851 CD1 PHE B 18 4.114 -4.108 1.634 1.00 1.00 C ATOM 852 CD2 PHE B 18 2.759 -3.998 -0.318 1.00 1.00 C ATOM 853 CE1 PHE B 18 3.191 -3.350 2.320 1.00 1.00 C ATOM 854 CE2 PHE B 18 1.832 -3.238 0.365 1.00 1.00 C ATOM 855 CZ PHE B 18 2.049 -2.914 1.683 1.00 1.00 C ATOM 0 H PHE B 18 6.908 -6.709 0.900 1.00 1.00 H new ATOM 0 HA PHE B 18 4.014 -7.027 0.412 1.00 1.00 H new ATOM 0 HB2 PHE B 18 5.893 -4.806 -0.356 1.00 1.00 H new ATOM 0 HB3 PHE B 18 4.651 -5.273 -1.501 1.00 1.00 H new ATOM 0 HD1 PHE B 18 5.007 -4.447 2.138 1.00 1.00 H new ATOM 0 HD2 PHE B 18 2.583 -4.250 -1.353 1.00 1.00 H new ATOM 0 HE1 PHE B 18 3.362 -3.097 3.356 1.00 1.00 H new ATOM 0 HE2 PHE B 18 0.937 -2.898 -0.135 1.00 1.00 H new ATOM 0 HZ PHE B 18 1.325 -2.318 2.219 1.00 1.00 H new ATOM 865 N SER B 19 4.549 -7.705 -2.093 1.00 1.00 N ATOM 866 CA SER B 19 4.809 -8.526 -3.262 1.00 1.00 C ATOM 867 C SER B 19 4.735 -7.679 -4.530 1.00 1.00 C ATOM 868 O SER B 19 5.344 -8.010 -5.547 1.00 1.00 O ATOM 869 CB SER B 19 3.801 -9.678 -3.329 1.00 1.00 C ATOM 870 OG SER B 19 3.733 -10.367 -2.089 1.00 1.00 O ATOM 0 H SER B 19 3.658 -7.210 -2.120 1.00 1.00 H new ATOM 0 HA SER B 19 5.813 -8.944 -3.184 1.00 1.00 H new ATOM 0 HB2 SER B 19 2.816 -9.290 -3.588 1.00 1.00 H new ATOM 0 HB3 SER B 19 4.088 -10.372 -4.119 1.00 1.00 H new ATOM 0 HG SER B 19 3.082 -11.097 -2.155 1.00 1.00 H new ATOM 876 N SER B 20 4.007 -6.573 -4.457 1.00 1.00 N ATOM 877 CA SER B 20 3.848 -5.688 -5.599 1.00 1.00 C ATOM 878 C SER B 20 4.418 -4.300 -5.304 1.00 1.00 C ATOM 879 O SER B 20 4.144 -3.714 -4.256 1.00 1.00 O ATOM 880 CB SER B 20 2.366 -5.587 -5.965 1.00 1.00 C ATOM 881 OG SER B 20 1.603 -6.557 -5.259 1.00 1.00 O ATOM 0 H SER B 20 3.517 -6.268 -3.616 1.00 1.00 H new ATOM 0 HA SER B 20 4.402 -6.103 -6.441 1.00 1.00 H new ATOM 0 HB2 SER B 20 1.997 -4.588 -5.732 1.00 1.00 H new ATOM 0 HB3 SER B 20 2.241 -5.731 -7.038 1.00 1.00 H new ATOM 0 HG SER B 20 0.827 -6.125 -4.845 1.00 1.00 H new ATOM 887 N PRO B 21 5.229 -3.754 -6.228 1.00 1.00 N ATOM 888 CA PRO B 21 5.832 -2.424 -6.069 1.00 1.00 C ATOM 889 C PRO B 21 4.776 -1.322 -6.076 1.00 1.00 C ATOM 890 O PRO B 21 4.978 -0.241 -5.521 1.00 1.00 O ATOM 891 CB PRO B 21 6.758 -2.287 -7.284 1.00 1.00 C ATOM 892 CG PRO B 21 6.916 -3.671 -7.821 1.00 1.00 C ATOM 893 CD PRO B 21 5.643 -4.393 -7.487 1.00 1.00 C ATOM 0 HA PRO B 21 6.356 -2.325 -5.118 1.00 1.00 H new ATOM 0 HB2 PRO B 21 6.328 -1.622 -8.033 1.00 1.00 H new ATOM 0 HB3 PRO B 21 7.721 -1.864 -6.998 1.00 1.00 H new ATOM 0 HG2 PRO B 21 7.084 -3.655 -8.898 1.00 1.00 H new ATOM 0 HG3 PRO B 21 7.776 -4.168 -7.372 1.00 1.00 H new ATOM 0 HD2 PRO B 21 4.892 -4.273 -8.268 1.00 1.00 H new ATOM 0 HD3 PRO B 21 5.805 -5.464 -7.363 1.00 1.00 H new ATOM 901 N SER B 22 3.643 -1.617 -6.701 1.00 1.00 N ATOM 902 CA SER B 22 2.540 -0.678 -6.791 1.00 1.00 C ATOM 903 C SER B 22 1.948 -0.409 -5.409 1.00 1.00 C ATOM 904 O SER B 22 1.579 0.721 -5.087 1.00 1.00 O ATOM 905 CB SER B 22 1.479 -1.248 -7.729 1.00 1.00 C ATOM 906 OG SER B 22 2.066 -2.175 -8.633 1.00 1.00 O ATOM 0 H SER B 22 3.466 -2.512 -7.157 1.00 1.00 H new ATOM 0 HA SER B 22 2.903 0.271 -7.187 1.00 1.00 H new ATOM 0 HB2 SER B 22 0.698 -1.740 -7.149 1.00 1.00 H new ATOM 0 HB3 SER B 22 1.003 -0.440 -8.284 1.00 1.00 H new ATOM 0 HG SER B 22 1.375 -2.534 -9.228 1.00 1.00 H new ATOM 912 N THR B 23 1.876 -1.450 -4.592 1.00 1.00 N ATOM 913 CA THR B 23 1.341 -1.330 -3.249 1.00 1.00 C ATOM 914 C THR B 23 2.409 -0.811 -2.285 1.00 1.00 C ATOM 915 O THR B 23 2.099 -0.119 -1.314 1.00 1.00 O ATOM 916 CB THR B 23 0.802 -2.686 -2.765 1.00 1.00 C ATOM 917 OG1 THR B 23 1.278 -3.724 -3.631 1.00 1.00 O ATOM 918 CG2 THR B 23 -0.720 -2.696 -2.747 1.00 1.00 C ATOM 0 H THR B 23 2.184 -2.390 -4.840 1.00 1.00 H new ATOM 0 HA THR B 23 0.520 -0.613 -3.271 1.00 1.00 H new ATOM 0 HB THR B 23 1.157 -2.855 -1.749 1.00 1.00 H new ATOM 0 HG1 THR B 23 1.655 -4.451 -3.093 1.00 1.00 H new ATOM 0 HG21 THR B 23 -1.073 -3.667 -2.401 1.00 1.00 H new ATOM 0 HG22 THR B 23 -1.081 -1.918 -2.075 1.00 1.00 H new ATOM 0 HG23 THR B 23 -1.097 -2.510 -3.753 1.00 1.00 H new ATOM 926 N LEU B 24 3.671 -1.126 -2.583 1.00 1.00 N ATOM 927 CA LEU B 24 4.803 -0.690 -1.763 1.00 1.00 C ATOM 928 C LEU B 24 4.819 0.830 -1.612 1.00 1.00 C ATOM 929 O LEU B 24 5.206 1.358 -0.567 1.00 1.00 O ATOM 930 CB LEU B 24 6.118 -1.156 -2.388 1.00 1.00 C ATOM 931 CG LEU B 24 6.579 -2.554 -1.976 1.00 1.00 C ATOM 932 CD1 LEU B 24 7.560 -3.113 -2.994 1.00 1.00 C ATOM 933 CD2 LEU B 24 7.210 -2.515 -0.591 1.00 1.00 C ATOM 0 H LEU B 24 3.936 -1.686 -3.393 1.00 1.00 H new ATOM 0 HA LEU B 24 4.692 -1.136 -0.775 1.00 1.00 H new ATOM 0 HB2 LEU B 24 6.014 -1.131 -3.473 1.00 1.00 H new ATOM 0 HB3 LEU B 24 6.899 -0.442 -2.126 1.00 1.00 H new ATOM 0 HG LEU B 24 5.710 -3.211 -1.942 1.00 1.00 H new ATOM 0 HD11 LEU B 24 7.878 -4.109 -2.685 1.00 1.00 H new ATOM 0 HD12 LEU B 24 7.077 -3.173 -3.970 1.00 1.00 H new ATOM 0 HD13 LEU B 24 8.429 -2.459 -3.059 1.00 1.00 H new ATOM 0 HD21 LEU B 24 7.534 -3.517 -0.310 1.00 1.00 H new ATOM 0 HD22 LEU B 24 8.070 -1.846 -0.602 1.00 1.00 H new ATOM 0 HD23 LEU B 24 6.478 -2.154 0.132 1.00 1.00 H new ATOM 945 N GLU B 25 4.390 1.520 -2.666 1.00 1.00 N ATOM 946 CA GLU B 25 4.333 2.978 -2.673 1.00 1.00 C ATOM 947 C GLU B 25 3.464 3.491 -1.527 1.00 1.00 C ATOM 948 O GLU B 25 3.854 4.399 -0.795 1.00 1.00 O ATOM 949 CB GLU B 25 3.778 3.473 -4.010 1.00 1.00 C ATOM 950 CG GLU B 25 3.596 4.981 -4.080 1.00 1.00 C ATOM 951 CD GLU B 25 2.798 5.403 -5.292 1.00 1.00 C ATOM 952 OE1 GLU B 25 3.304 5.252 -6.419 1.00 1.00 O ATOM 953 OE2 GLU B 25 1.653 5.869 -5.124 1.00 1.00 O ATOM 0 H GLU B 25 4.074 1.087 -3.534 1.00 1.00 H new ATOM 0 HA GLU B 25 5.344 3.363 -2.539 1.00 1.00 H new ATOM 0 HB2 GLU B 25 4.450 3.160 -4.809 1.00 1.00 H new ATOM 0 HB3 GLU B 25 2.817 2.992 -4.194 1.00 1.00 H new ATOM 0 HG2 GLU B 25 3.093 5.327 -3.177 1.00 1.00 H new ATOM 0 HG3 GLU B 25 4.573 5.463 -4.105 1.00 1.00 H new ATOM 960 N ALA B 26 2.295 2.881 -1.363 1.00 1.00 N ATOM 961 CA ALA B 26 1.368 3.275 -0.311 1.00 1.00 C ATOM 962 C ALA B 26 1.927 2.922 1.063 1.00 1.00 C ATOM 963 O ALA B 26 1.661 3.614 2.045 1.00 1.00 O ATOM 964 CB ALA B 26 0.011 2.635 -0.536 1.00 1.00 C ATOM 0 H ALA B 26 1.968 2.111 -1.946 1.00 1.00 H new ATOM 0 HA ALA B 26 1.241 4.357 -0.347 1.00 1.00 H new ATOM 0 HB1 ALA B 26 -0.671 2.939 0.258 1.00 1.00 H new ATOM 0 HB2 ALA B 26 -0.387 2.956 -1.499 1.00 1.00 H new ATOM 0 HB3 ALA B 26 0.115 1.550 -0.530 1.00 1.00 H new ATOM 970 N HIS B 27 2.711 1.850 1.132 1.00 1.00 N ATOM 971 CA HIS B 27 3.324 1.447 2.392 1.00 1.00 C ATOM 972 C HIS B 27 4.267 2.547 2.859 1.00 1.00 C ATOM 973 O HIS B 27 4.212 2.988 4.004 1.00 1.00 O ATOM 974 CB HIS B 27 4.090 0.119 2.237 1.00 1.00 C ATOM 975 CG HIS B 27 4.881 -0.283 3.456 1.00 1.00 C ATOM 976 ND1 HIS B 27 4.656 -1.433 4.183 1.00 1.00 N ATOM 977 CD2 HIS B 27 5.912 0.350 4.080 1.00 1.00 C ATOM 978 CE1 HIS B 27 5.532 -1.454 5.202 1.00 1.00 C ATOM 979 NE2 HIS B 27 6.315 -0.393 5.180 1.00 1.00 N ATOM 0 H HIS B 27 2.935 1.250 0.338 1.00 1.00 H new ATOM 0 HA HIS B 27 2.540 1.292 3.133 1.00 1.00 H new ATOM 0 HB2 HIS B 27 3.379 -0.673 2.002 1.00 1.00 H new ATOM 0 HB3 HIS B 27 4.768 0.201 1.388 1.00 1.00 H new ATOM 0 HD1 HIS B 27 3.950 -2.142 3.983 1.00 1.00 H new ATOM 0 HD2 HIS B 27 6.349 1.287 3.767 1.00 1.00 H new ATOM 0 HE1 HIS B 27 5.588 -2.238 5.943 1.00 1.00 H new ATOM 987 N GLN B 28 5.113 3.000 1.948 1.00 1.00 N ATOM 988 CA GLN B 28 6.082 4.043 2.247 1.00 1.00 C ATOM 989 C GLN B 28 5.395 5.405 2.390 1.00 1.00 C ATOM 990 O GLN B 28 6.023 6.399 2.752 1.00 1.00 O ATOM 991 CB GLN B 28 7.138 4.076 1.137 1.00 1.00 C ATOM 992 CG GLN B 28 8.224 5.117 1.336 1.00 1.00 C ATOM 993 CD GLN B 28 8.314 6.081 0.170 1.00 1.00 C ATOM 994 OE1 GLN B 28 7.198 6.294 -0.512 1.00 1.00 O flip ATOM 995 NE2 GLN B 28 9.377 6.631 -0.115 1.00 1.00 N flip ATOM 0 H GLN B 28 5.148 2.659 0.987 1.00 1.00 H new ATOM 0 HA GLN B 28 6.566 3.823 3.199 1.00 1.00 H new ATOM 0 HB2 GLN B 28 7.603 3.093 1.065 1.00 1.00 H new ATOM 0 HB3 GLN B 28 6.641 4.264 0.185 1.00 1.00 H new ATOM 0 HG2 GLN B 28 8.027 5.675 2.252 1.00 1.00 H new ATOM 0 HG3 GLN B 28 9.184 4.618 1.467 1.00 1.00 H new ATOM 0 HE21 GLN B 28 10.214 6.440 0.436 1.00 1.00 H new ATOM 0 HE22 GLN B 28 9.421 7.278 -0.902 1.00 1.00 H new ATOM 1004 N ALA B 29 4.102 5.442 2.116 1.00 1.00 N ATOM 1005 CA ALA B 29 3.343 6.677 2.208 1.00 1.00 C ATOM 1006 C ALA B 29 2.558 6.769 3.514 1.00 1.00 C ATOM 1007 O ALA B 29 2.228 7.867 3.968 1.00 1.00 O ATOM 1008 CB ALA B 29 2.404 6.803 1.019 1.00 1.00 C ATOM 0 H ALA B 29 3.556 4.630 1.828 1.00 1.00 H new ATOM 0 HA ALA B 29 4.054 7.503 2.196 1.00 1.00 H new ATOM 0 HB1 ALA B 29 1.840 7.732 1.098 1.00 1.00 H new ATOM 0 HB2 ALA B 29 2.984 6.808 0.096 1.00 1.00 H new ATOM 0 HB3 ALA B 29 1.714 5.959 1.009 1.00 1.00 H new ATOM 1014 N TYR B 30 2.249 5.627 4.119 1.00 1.00 N ATOM 1015 CA TYR B 30 1.479 5.618 5.360 1.00 1.00 C ATOM 1016 C TYR B 30 2.207 4.901 6.491 1.00 1.00 C ATOM 1017 O TYR B 30 2.312 5.438 7.597 1.00 1.00 O ATOM 1018 CB TYR B 30 0.111 4.984 5.132 1.00 1.00 C ATOM 1019 CG TYR B 30 -0.727 5.724 4.115 1.00 1.00 C ATOM 1020 CD1 TYR B 30 -1.320 6.939 4.427 1.00 1.00 C ATOM 1021 CD2 TYR B 30 -0.921 5.205 2.841 1.00 1.00 C ATOM 1022 CE1 TYR B 30 -2.082 7.619 3.496 1.00 1.00 C ATOM 1023 CE2 TYR B 30 -1.683 5.876 1.908 1.00 1.00 C ATOM 1024 CZ TYR B 30 -2.260 7.082 2.238 1.00 1.00 C ATOM 1025 OH TYR B 30 -3.011 7.756 1.305 1.00 1.00 O ATOM 0 H TYR B 30 2.516 4.704 3.776 1.00 1.00 H new ATOM 0 HA TYR B 30 1.352 6.657 5.664 1.00 1.00 H new ATOM 0 HB2 TYR B 30 0.246 3.954 4.802 1.00 1.00 H new ATOM 0 HB3 TYR B 30 -0.427 4.947 6.079 1.00 1.00 H new ATOM 0 HD1 TYR B 30 -1.184 7.360 5.412 1.00 1.00 H new ATOM 0 HD2 TYR B 30 -0.468 4.261 2.577 1.00 1.00 H new ATOM 0 HE1 TYR B 30 -2.535 8.565 3.752 1.00 1.00 H new ATOM 0 HE2 TYR B 30 -1.827 5.458 0.923 1.00 1.00 H new ATOM 0 HH TYR B 30 -2.431 8.354 0.789 1.00 1.00 H new ATOM 1035 N TYR B 31 2.682 3.686 6.231 1.00 1.00 N ATOM 1036 CA TYR B 31 3.405 2.922 7.245 1.00 1.00 C ATOM 1037 C TYR B 31 4.729 3.606 7.546 1.00 1.00 C ATOM 1038 O TYR B 31 5.027 3.926 8.696 1.00 1.00 O ATOM 1039 CB TYR B 31 3.644 1.480 6.785 1.00 1.00 C ATOM 1040 CG TYR B 31 2.616 0.491 7.292 1.00 1.00 C ATOM 1041 CD1 TYR B 31 2.029 0.647 8.542 1.00 1.00 C ATOM 1042 CD2 TYR B 31 2.238 -0.605 6.523 1.00 1.00 C ATOM 1043 CE1 TYR B 31 1.095 -0.258 9.010 1.00 1.00 C ATOM 1044 CE2 TYR B 31 1.303 -1.513 6.984 1.00 1.00 C ATOM 1045 CZ TYR B 31 0.737 -1.337 8.229 1.00 1.00 C ATOM 1046 OH TYR B 31 -0.193 -2.241 8.693 1.00 1.00 O ATOM 0 H TYR B 31 2.581 3.211 5.334 1.00 1.00 H new ATOM 0 HA TYR B 31 2.800 2.886 8.151 1.00 1.00 H new ATOM 0 HB2 TYR B 31 3.651 1.454 5.695 1.00 1.00 H new ATOM 0 HB3 TYR B 31 4.632 1.163 7.118 1.00 1.00 H new ATOM 0 HD1 TYR B 31 2.307 1.489 9.158 1.00 1.00 H new ATOM 0 HD2 TYR B 31 2.683 -0.749 5.549 1.00 1.00 H new ATOM 0 HE1 TYR B 31 0.647 -0.121 9.983 1.00 1.00 H new ATOM 0 HE2 TYR B 31 1.017 -2.356 6.372 1.00 1.00 H new ATOM 0 HH TYR B 31 -1.035 -1.776 8.882 1.00 1.00 H new ATOM 1056 N CYS B 32 5.516 3.832 6.502 1.00 1.00 N ATOM 1057 CA CYS B 32 6.787 4.514 6.645 1.00 1.00 C ATOM 1058 C CYS B 32 6.538 6.014 6.580 1.00 1.00 C ATOM 1059 O CYS B 32 6.038 6.512 5.573 1.00 1.00 O ATOM 1060 CB CYS B 32 7.757 4.088 5.539 1.00 1.00 C ATOM 1061 SG CYS B 32 8.549 2.469 5.810 1.00 1.00 S ATOM 0 H CYS B 32 5.292 3.551 5.547 1.00 1.00 H new ATOM 0 HA CYS B 32 7.238 4.251 7.602 1.00 1.00 H new ATOM 0 HB2 CYS B 32 7.219 4.061 4.592 1.00 1.00 H new ATOM 0 HB3 CYS B 32 8.534 4.847 5.442 1.00 1.00 H new ATOM 1066 N SER B 33 6.878 6.717 7.656 1.00 1.00 N ATOM 1067 CA SER B 33 6.669 8.159 7.743 1.00 1.00 C ATOM 1068 C SER B 33 5.174 8.486 7.636 1.00 1.00 C ATOM 1069 O SER B 33 4.654 8.763 6.549 1.00 1.00 O ATOM 1070 CB SER B 33 7.466 8.897 6.659 1.00 1.00 C ATOM 1071 OG SER B 33 8.822 8.473 6.648 1.00 1.00 O ATOM 0 H SER B 33 7.303 6.307 8.487 1.00 1.00 H new ATOM 0 HA SER B 33 7.031 8.500 8.713 1.00 1.00 H new ATOM 0 HB2 SER B 33 7.016 8.714 5.683 1.00 1.00 H new ATOM 0 HB3 SER B 33 7.418 9.972 6.835 1.00 1.00 H new ATOM 0 HG SER B 33 9.310 8.955 5.948 1.00 1.00 H new ATOM 1077 N HIS B 34 4.489 8.436 8.774 1.00 1.00 N ATOM 1078 CA HIS B 34 3.056 8.708 8.828 1.00 1.00 C ATOM 1079 C HIS B 34 2.784 10.190 8.598 1.00 1.00 C ATOM 1080 O HIS B 34 2.840 10.992 9.530 1.00 1.00 O ATOM 1081 CB HIS B 34 2.492 8.272 10.186 1.00 1.00 C ATOM 1082 CG HIS B 34 1.074 7.786 10.133 1.00 1.00 C ATOM 1083 ND1 HIS B 34 0.684 6.693 9.393 1.00 1.00 N ATOM 1084 CD2 HIS B 34 -0.045 8.240 10.747 1.00 1.00 C ATOM 1085 CE1 HIS B 34 -0.611 6.492 9.556 1.00 1.00 C ATOM 1086 NE2 HIS B 34 -1.080 7.416 10.375 1.00 1.00 N ATOM 0 H HIS B 34 4.906 8.208 9.677 1.00 1.00 H new ATOM 0 HA HIS B 34 2.563 8.140 8.039 1.00 1.00 H new ATOM 0 HB2 HIS B 34 3.121 7.480 10.591 1.00 1.00 H new ATOM 0 HB3 HIS B 34 2.551 9.112 10.878 1.00 1.00 H new ATOM 0 HD1 HIS B 34 1.299 6.126 8.809 1.00 1.00 H new ATOM 0 HD2 HIS B 34 -0.111 9.092 11.407 1.00 1.00 H new ATOM 0 HE1 HIS B 34 -1.190 5.704 9.097 1.00 1.00 H new ATOM 1095 N ARG B 35 2.498 10.550 7.359 1.00 1.00 N ATOM 1096 CA ARG B 35 2.232 11.937 7.013 1.00 1.00 C ATOM 1097 C ARG B 35 0.880 12.078 6.326 1.00 1.00 C ATOM 1098 O ARG B 35 0.144 11.102 6.183 1.00 1.00 O ATOM 1099 CB ARG B 35 3.352 12.484 6.114 1.00 1.00 C ATOM 1100 CG ARG B 35 3.674 11.613 4.906 1.00 1.00 C ATOM 1101 CD ARG B 35 2.728 11.877 3.744 1.00 1.00 C ATOM 1102 NE ARG B 35 2.129 10.646 3.235 1.00 1.00 N ATOM 1103 CZ ARG B 35 1.093 10.606 2.397 1.00 1.00 C ATOM 1104 NH1 ARG B 35 0.469 11.721 2.039 1.00 1.00 N ATOM 1105 NH2 ARG B 35 0.659 9.438 1.947 1.00 1.00 N ATOM 0 H ARG B 35 2.444 9.901 6.574 1.00 1.00 H new ATOM 0 HA ARG B 35 2.204 12.520 7.934 1.00 1.00 H new ATOM 0 HB2 ARG B 35 3.068 13.477 5.765 1.00 1.00 H new ATOM 0 HB3 ARG B 35 4.256 12.602 6.712 1.00 1.00 H new ATOM 0 HG2 ARG B 35 4.700 11.799 4.588 1.00 1.00 H new ATOM 0 HG3 ARG B 35 3.614 10.562 5.190 1.00 1.00 H new ATOM 0 HD2 ARG B 35 1.940 12.558 4.066 1.00 1.00 H new ATOM 0 HD3 ARG B 35 3.271 12.375 2.941 1.00 1.00 H new ATOM 0 HE ARG B 35 2.529 9.759 3.541 1.00 1.00 H new ATOM 0 HH11 ARG B 35 0.781 12.620 2.406 1.00 1.00 H new ATOM 0 HH12 ARG B 35 -0.323 11.679 1.397 1.00 1.00 H new ATOM 0 HH21 ARG B 35 1.117 8.576 2.242 1.00 1.00 H new ATOM 0 HH22 ARG B 35 -0.133 9.401 1.306 1.00 1.00 H new ATOM 1119 N ILE B 36 0.568 13.295 5.905 1.00 1.00 N ATOM 1120 CA ILE B 36 -0.681 13.582 5.217 1.00 1.00 C ATOM 1121 C ILE B 36 -0.400 14.404 3.963 1.00 1.00 C ATOM 1122 O ILE B 36 -1.133 15.379 3.696 1.00 1.00 O ATOM 1123 CB ILE B 36 -1.679 14.343 6.124 1.00 1.00 C ATOM 1124 CG1 ILE B 36 -0.959 15.441 6.919 1.00 1.00 C ATOM 1125 CG2 ILE B 36 -2.392 13.376 7.061 1.00 1.00 C ATOM 1126 CD1 ILE B 36 -1.892 16.335 7.707 1.00 1.00 C ATOM 1127 OXT ILE B 36 0.585 14.089 3.262 1.00 1.00 O ATOM 0 H ILE B 36 1.171 14.108 6.030 1.00 1.00 H new ATOM 0 HA ILE B 36 -1.137 12.629 4.946 1.00 1.00 H new ATOM 0 HB ILE B 36 -2.427 14.819 5.490 1.00 1.00 H new ATOM 0 HG12 ILE B 36 -0.251 14.975 7.605 1.00 1.00 H new ATOM 0 HG13 ILE B 36 -0.379 16.054 6.230 1.00 1.00 H new ATOM 0 HG21 ILE B 36 -3.090 13.928 7.691 1.00 1.00 H new ATOM 0 HG22 ILE B 36 -2.939 12.638 6.475 1.00 1.00 H new ATOM 0 HG23 ILE B 36 -1.658 12.870 7.689 1.00 1.00 H new ATOM 0 HD11 ILE B 36 -1.311 17.086 8.242 1.00 1.00 H new ATOM 0 HD12 ILE B 36 -2.584 16.830 7.025 1.00 1.00 H new ATOM 0 HD13 ILE B 36 -2.454 15.734 8.422 1.00 1.00 H new TER 1139 ILE B 36 HETATM 1140 ZN ZN A 244 -6.112 -1.968 4.645 1.00 1.00 ZN HETATM 1141 ZN ZN B 37 7.751 0.376 6.165 1.00 1.00 ZN