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: A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 234 MET CE :methyl -163:sc= 0 (180deg=-0.0505) USER MOD Set 2.1: A 232 HIS : +bothHN:sc= 1.29 K(o=2.3,f=-8.2!) USER MOD Set 2.2: A 238 ASN : amide:sc= 1.01 K(o=2.3,f=-0.56) USER MOD Set 2.3: B 30 TYR OH : rot -70:sc= 0 USER MOD Set 3.1: A 220 THR OG1 : rot -69:sc= 1.02 USER MOD Set 3.2: A 222 HIS : +bothHN:sc= -1.69! C(o=-0.67!,f=-13!) USER MOD Single : A 206 ASN :FLIP amide:sc= -0.886 F(o=-4.3!,f=-0.89) USER MOD Single : A 210 THR OG1 : rot -36:sc= 0.435 USER MOD Single : A 212 THR OG1 : rot -111:sc= -1.02 USER MOD Single : A 223 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 235 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.49) USER MOD Single : A 237 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 GLY N :NH3+ -173:sc= 0 (180deg=-0.0602) USER MOD Single : B 2 SER OG : rot 170:sc=-0.00176 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 20 SER OG : rot 107:sc= 2.21 USER MOD Single : B 22 SER OG : rot 180:sc= 0.0145 USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 GLN : amide:sc= 1.21 K(o=1.2,f=-0.24) USER MOD Single : B 31 TYR OH : rot -161:sc= 0.994 USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 34 HIS : no HD1:sc= 0.881 K(o=0.88,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 200 0.235 16.242 1.165 1.00 1.00 N ATOM 2 CA GLU A 200 -0.627 15.099 0.799 1.00 1.00 C ATOM 3 C GLU A 200 -1.080 14.367 2.052 1.00 1.00 C ATOM 4 O GLU A 200 -0.425 14.443 3.094 1.00 1.00 O ATOM 5 CB GLU A 200 0.126 14.141 -0.128 1.00 1.00 C ATOM 6 CG GLU A 200 0.001 14.494 -1.603 1.00 1.00 C ATOM 7 CD GLU A 200 0.167 15.978 -1.866 1.00 1.00 C ATOM 8 OE1 GLU A 200 1.221 16.537 -1.502 1.00 1.00 O ATOM 9 OE2 GLU A 200 -0.759 16.593 -2.427 1.00 1.00 O ATOM 0 HA GLU A 200 -1.504 15.476 0.273 1.00 1.00 H new ATOM 0 HB2 GLU A 200 1.181 14.136 0.147 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -0.248 13.129 0.028 1.00 1.00 H new ATOM 0 HG2 GLU A 200 0.752 13.943 -2.169 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -0.974 14.171 -1.968 1.00 1.00 H new ATOM 16 N ALA A 201 -2.197 13.662 1.957 1.00 1.00 N ATOM 17 CA ALA A 201 -2.722 12.926 3.095 1.00 1.00 C ATOM 18 C ALA A 201 -1.972 11.615 3.275 1.00 1.00 C ATOM 19 O ALA A 201 -1.368 11.371 4.317 1.00 1.00 O ATOM 20 CB ALA A 201 -4.210 12.668 2.924 1.00 1.00 C ATOM 0 H ALA A 201 -2.755 13.584 1.107 1.00 1.00 H new ATOM 0 HA ALA A 201 -2.578 13.531 3.990 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -4.585 12.116 3.786 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -4.737 13.619 2.845 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -4.376 12.084 2.019 1.00 1.00 H new ATOM 26 N ARG A 202 -1.996 10.784 2.245 1.00 1.00 N ATOM 27 CA ARG A 202 -1.326 9.497 2.285 1.00 1.00 C ATOM 28 C ARG A 202 -1.154 8.961 0.873 1.00 1.00 C ATOM 29 O ARG A 202 -1.835 9.403 -0.051 1.00 1.00 O ATOM 30 CB ARG A 202 -2.141 8.510 3.128 1.00 1.00 C ATOM 31 CG ARG A 202 -1.325 7.366 3.708 1.00 1.00 C ATOM 32 CD ARG A 202 -0.190 7.875 4.585 1.00 1.00 C ATOM 33 NE ARG A 202 -0.667 8.739 5.666 1.00 1.00 N ATOM 34 CZ ARG A 202 0.127 9.304 6.577 1.00 1.00 C ATOM 35 NH1 ARG A 202 1.438 9.098 6.543 1.00 1.00 N ATOM 36 NH2 ARG A 202 -0.392 10.092 7.514 1.00 1.00 N ATOM 0 H ARG A 202 -2.476 10.981 1.367 1.00 1.00 H new ATOM 0 HA ARG A 202 -0.343 9.620 2.739 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -2.617 9.053 3.945 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.940 8.096 2.512 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -1.975 6.716 4.294 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -0.917 6.762 2.898 1.00 1.00 H new ATOM 0 HD2 ARG A 202 0.346 7.026 5.011 1.00 1.00 H new ATOM 0 HD3 ARG A 202 0.522 8.426 3.970 1.00 1.00 H new ATOM 0 HE ARG A 202 -1.669 8.920 5.726 1.00 1.00 H new ATOM 0 HH11 ARG A 202 1.843 8.505 5.818 1.00 1.00 H new ATOM 0 HH12 ARG A 202 2.041 9.532 7.242 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -1.397 10.264 7.536 1.00 1.00 H new ATOM 0 HH22 ARG A 202 0.215 10.524 8.211 1.00 1.00 H new ATOM 50 N GLU A 203 -0.225 8.040 0.707 1.00 1.00 N ATOM 51 CA GLU A 203 0.030 7.428 -0.583 1.00 1.00 C ATOM 52 C GLU A 203 -0.572 6.033 -0.599 1.00 1.00 C ATOM 53 O GLU A 203 -0.260 5.213 0.268 1.00 1.00 O ATOM 54 CB GLU A 203 1.538 7.348 -0.858 1.00 1.00 C ATOM 55 CG GLU A 203 2.374 8.350 -0.068 1.00 1.00 C ATOM 56 CD GLU A 203 2.729 7.850 1.320 1.00 1.00 C ATOM 57 OE1 GLU A 203 3.697 7.075 1.446 1.00 1.00 O ATOM 58 OE2 GLU A 203 2.042 8.233 2.294 1.00 1.00 O ATOM 0 H GLU A 203 0.372 7.696 1.459 1.00 1.00 H new ATOM 0 HA GLU A 203 -0.427 8.038 -1.362 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.885 6.341 -0.627 1.00 1.00 H new ATOM 0 HB3 GLU A 203 1.710 7.508 -1.922 1.00 1.00 H new ATOM 0 HG2 GLU A 203 3.290 8.566 -0.617 1.00 1.00 H new ATOM 0 HG3 GLU A 203 1.825 9.288 0.017 1.00 1.00 H new ATOM 65 N CYS A 204 -1.456 5.771 -1.553 1.00 1.00 N ATOM 66 CA CYS A 204 -2.082 4.464 -1.652 1.00 1.00 C ATOM 67 C CYS A 204 -1.071 3.422 -2.103 1.00 1.00 C ATOM 68 O CYS A 204 -0.082 3.729 -2.773 1.00 1.00 O ATOM 69 CB CYS A 204 -3.272 4.489 -2.614 1.00 1.00 C ATOM 70 SG CYS A 204 -4.128 2.885 -2.792 1.00 1.00 S ATOM 0 H CYS A 204 -1.752 6.441 -2.262 1.00 1.00 H new ATOM 0 HA CYS A 204 -2.450 4.197 -0.661 1.00 1.00 H new ATOM 0 HB2 CYS A 204 -3.989 5.234 -2.268 1.00 1.00 H new ATOM 0 HB3 CYS A 204 -2.925 4.813 -3.595 1.00 1.00 H new ATOM 75 N VAL A 205 -1.346 2.186 -1.745 1.00 1.00 N ATOM 76 CA VAL A 205 -0.483 1.076 -2.083 1.00 1.00 C ATOM 77 C VAL A 205 -0.987 0.360 -3.326 1.00 1.00 C ATOM 78 O VAL A 205 -0.289 -0.475 -3.903 1.00 1.00 O ATOM 79 CB VAL A 205 -0.409 0.078 -0.917 1.00 1.00 C ATOM 80 CG1 VAL A 205 0.144 0.762 0.320 1.00 1.00 C ATOM 81 CG2 VAL A 205 -1.781 -0.519 -0.632 1.00 1.00 C ATOM 0 H VAL A 205 -2.174 1.923 -1.211 1.00 1.00 H new ATOM 0 HA VAL A 205 0.512 1.475 -2.281 1.00 1.00 H new ATOM 0 HB VAL A 205 0.262 -0.735 -1.196 1.00 1.00 H new ATOM 0 HG11 VAL A 205 0.192 0.046 1.141 1.00 1.00 H new ATOM 0 HG12 VAL A 205 1.144 1.141 0.110 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -0.507 1.591 0.599 1.00 1.00 H new ATOM 0 HG21 VAL A 205 -1.706 -1.223 0.197 1.00 1.00 H new ATOM 0 HG22 VAL A 205 -2.477 0.278 -0.370 1.00 1.00 H new ATOM 0 HG23 VAL A 205 -2.143 -1.040 -1.519 1.00 1.00 H new ATOM 91 N ASN A 206 -2.204 0.692 -3.729 1.00 1.00 N ATOM 92 CA ASN A 206 -2.811 0.077 -4.898 1.00 1.00 C ATOM 93 C ASN A 206 -2.738 1.014 -6.092 1.00 1.00 C ATOM 94 O ASN A 206 -2.562 0.577 -7.228 1.00 1.00 O ATOM 95 CB ASN A 206 -4.269 -0.291 -4.623 1.00 1.00 C ATOM 96 CG ASN A 206 -4.438 -1.644 -3.955 1.00 1.00 C ATOM 97 OD1 ASN A 206 -3.567 -1.967 -3.006 1.00 1.00 O flip ATOM 98 ND2 ASN A 206 -5.357 -2.394 -4.281 1.00 1.00 N flip ATOM 0 H ASN A 206 -2.790 1.384 -3.263 1.00 1.00 H new ATOM 0 HA ASN A 206 -2.255 -0.833 -5.124 1.00 1.00 H new ATOM 0 HB2 ASN A 206 -4.716 0.476 -3.990 1.00 1.00 H new ATOM 0 HB3 ASN A 206 -4.820 -0.288 -5.564 1.00 1.00 H new ATOM 0 HD21 ASN A 206 -6.008 -2.114 -5.014 1.00 1.00 H new ATOM 0 HD22 ASN A 206 -5.468 -3.296 -3.818 1.00 1.00 H new ATOM 105 N CYS A 207 -2.881 2.307 -5.830 1.00 1.00 N ATOM 106 CA CYS A 207 -2.822 3.303 -6.884 1.00 1.00 C ATOM 107 C CYS A 207 -1.759 4.347 -6.576 1.00 1.00 C ATOM 108 O CYS A 207 -0.815 4.538 -7.342 1.00 1.00 O ATOM 109 CB CYS A 207 -4.193 3.970 -7.072 1.00 1.00 C ATOM 110 SG CYS A 207 -4.887 4.743 -5.571 1.00 1.00 S ATOM 0 H CYS A 207 -3.038 2.687 -4.897 1.00 1.00 H new ATOM 0 HA CYS A 207 -2.552 2.802 -7.814 1.00 1.00 H new ATOM 0 HB2 CYS A 207 -4.107 4.731 -7.848 1.00 1.00 H new ATOM 0 HB3 CYS A 207 -4.897 3.222 -7.436 1.00 1.00 H new ATOM 115 N GLY A 208 -1.921 5.004 -5.445 1.00 1.00 N ATOM 116 CA GLY A 208 -0.992 6.030 -5.037 1.00 1.00 C ATOM 117 C GLY A 208 -1.614 7.404 -5.127 1.00 1.00 C ATOM 118 O GLY A 208 -0.924 8.421 -5.030 1.00 1.00 O ATOM 0 H GLY A 208 -2.689 4.843 -4.794 1.00 1.00 H new ATOM 0 HA2 GLY A 208 -0.667 5.842 -4.014 1.00 1.00 H new ATOM 0 HA3 GLY A 208 -0.103 5.989 -5.666 1.00 1.00 H new ATOM 122 N ALA A 209 -2.924 7.431 -5.316 1.00 1.00 N ATOM 123 CA ALA A 209 -3.657 8.683 -5.415 1.00 1.00 C ATOM 124 C ALA A 209 -4.141 9.124 -4.039 1.00 1.00 C ATOM 125 O ALA A 209 -4.817 8.368 -3.341 1.00 1.00 O ATOM 126 CB ALA A 209 -4.832 8.537 -6.370 1.00 1.00 C ATOM 0 H ALA A 209 -3.503 6.596 -5.404 1.00 1.00 H new ATOM 0 HA ALA A 209 -2.986 9.447 -5.808 1.00 1.00 H new ATOM 0 HB1 ALA A 209 -5.370 9.483 -6.432 1.00 1.00 H new ATOM 0 HB2 ALA A 209 -4.465 8.262 -7.359 1.00 1.00 H new ATOM 0 HB3 ALA A 209 -5.504 7.761 -6.004 1.00 1.00 H new ATOM 132 N THR A 210 -3.803 10.351 -3.659 1.00 1.00 N ATOM 133 CA THR A 210 -4.203 10.888 -2.363 1.00 1.00 C ATOM 134 C THR A 210 -5.620 11.455 -2.433 1.00 1.00 C ATOM 135 O THR A 210 -6.179 11.898 -1.425 1.00 1.00 O ATOM 136 CB THR A 210 -3.221 11.980 -1.869 1.00 1.00 C ATOM 137 OG1 THR A 210 -3.479 12.306 -0.494 1.00 1.00 O ATOM 138 CG2 THR A 210 -3.333 13.240 -2.713 1.00 1.00 C ATOM 0 H THR A 210 -3.253 10.993 -4.230 1.00 1.00 H new ATOM 0 HA THR A 210 -4.180 10.066 -1.648 1.00 1.00 H new ATOM 0 HB THR A 210 -2.211 11.581 -1.964 1.00 1.00 H new ATOM 0 HG1 THR A 210 -4.444 12.270 -0.325 1.00 1.00 H new ATOM 0 HG21 THR A 210 -2.633 13.989 -2.343 1.00 1.00 H new ATOM 0 HG22 THR A 210 -3.098 13.005 -3.751 1.00 1.00 H new ATOM 0 HG23 THR A 210 -4.349 13.631 -2.650 1.00 1.00 H new ATOM 146 N ALA A 211 -6.189 11.448 -3.631 1.00 1.00 N ATOM 147 CA ALA A 211 -7.539 11.946 -3.842 1.00 1.00 C ATOM 148 C ALA A 211 -8.565 10.921 -3.378 1.00 1.00 C ATOM 149 O ALA A 211 -8.781 9.902 -4.037 1.00 1.00 O ATOM 150 CB ALA A 211 -7.753 12.283 -5.309 1.00 1.00 C ATOM 0 H ALA A 211 -5.733 11.101 -4.475 1.00 1.00 H new ATOM 0 HA ALA A 211 -7.669 12.854 -3.253 1.00 1.00 H new ATOM 0 HB1 ALA A 211 -8.768 12.655 -5.453 1.00 1.00 H new ATOM 0 HB2 ALA A 211 -7.040 13.048 -5.614 1.00 1.00 H new ATOM 0 HB3 ALA A 211 -7.605 11.388 -5.913 1.00 1.00 H new ATOM 156 N THR A 212 -9.185 11.183 -2.237 1.00 1.00 N ATOM 157 CA THR A 212 -10.181 10.282 -1.686 1.00 1.00 C ATOM 158 C THR A 212 -10.954 10.973 -0.566 1.00 1.00 C ATOM 159 O THR A 212 -10.369 11.687 0.250 1.00 1.00 O ATOM 160 CB THR A 212 -9.527 8.984 -1.155 1.00 1.00 C ATOM 161 OG1 THR A 212 -10.504 8.139 -0.538 1.00 1.00 O ATOM 162 CG2 THR A 212 -8.429 9.290 -0.150 1.00 1.00 C ATOM 0 H THR A 212 -9.014 12.016 -1.674 1.00 1.00 H new ATOM 0 HA THR A 212 -10.871 10.013 -2.485 1.00 1.00 H new ATOM 0 HB THR A 212 -9.090 8.470 -2.011 1.00 1.00 H new ATOM 0 HG1 THR A 212 -10.342 8.103 0.428 1.00 1.00 H new ATOM 0 HG21 THR A 212 -7.990 8.357 0.204 1.00 1.00 H new ATOM 0 HG22 THR A 212 -7.659 9.896 -0.626 1.00 1.00 H new ATOM 0 HG23 THR A 212 -8.850 9.836 0.694 1.00 1.00 H new ATOM 170 N PRO A 213 -12.284 10.789 -0.527 1.00 1.00 N ATOM 171 CA PRO A 213 -13.138 11.400 0.499 1.00 1.00 C ATOM 172 C PRO A 213 -12.818 10.886 1.902 1.00 1.00 C ATOM 173 O PRO A 213 -13.018 11.591 2.893 1.00 1.00 O ATOM 174 CB PRO A 213 -14.556 10.984 0.089 1.00 1.00 C ATOM 175 CG PRO A 213 -14.373 9.787 -0.779 1.00 1.00 C ATOM 176 CD PRO A 213 -13.061 9.980 -1.483 1.00 1.00 C ATOM 0 HA PRO A 213 -12.997 12.480 0.550 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -15.166 10.749 0.961 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -15.063 11.786 -0.447 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -14.366 8.873 -0.186 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -15.190 9.696 -1.495 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -12.574 9.028 -1.695 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -13.187 10.493 -2.436 1.00 1.00 H new ATOM 184 N LEU A 214 -12.315 9.658 1.980 1.00 1.00 N ATOM 185 CA LEU A 214 -11.969 9.051 3.259 1.00 1.00 C ATOM 186 C LEU A 214 -11.141 7.788 3.049 1.00 1.00 C ATOM 187 O LEU A 214 -11.482 6.945 2.218 1.00 1.00 O ATOM 188 CB LEU A 214 -13.240 8.711 4.049 1.00 1.00 C ATOM 189 CG LEU A 214 -13.016 7.896 5.325 1.00 1.00 C ATOM 190 CD1 LEU A 214 -12.332 8.743 6.389 1.00 1.00 C ATOM 191 CD2 LEU A 214 -14.334 7.345 5.845 1.00 1.00 C ATOM 0 H LEU A 214 -12.138 9.063 1.170 1.00 1.00 H new ATOM 0 HA LEU A 214 -11.377 9.769 3.826 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -13.743 9.641 4.315 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -13.916 8.158 3.398 1.00 1.00 H new ATOM 0 HG LEU A 214 -12.364 7.056 5.085 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -12.182 8.146 7.288 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -11.367 9.086 6.016 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -12.957 9.604 6.626 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -14.155 6.768 6.752 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -15.011 8.170 6.067 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -14.783 6.701 5.089 1.00 1.00 H new ATOM 203 N TRP A 215 -10.050 7.668 3.789 1.00 1.00 N ATOM 204 CA TRP A 215 -9.195 6.498 3.691 1.00 1.00 C ATOM 205 C TRP A 215 -9.809 5.354 4.486 1.00 1.00 C ATOM 206 O TRP A 215 -10.023 5.474 5.693 1.00 1.00 O ATOM 207 CB TRP A 215 -7.793 6.808 4.218 1.00 1.00 C ATOM 208 CG TRP A 215 -7.111 7.918 3.479 1.00 1.00 C ATOM 209 CD1 TRP A 215 -7.185 9.254 3.755 1.00 1.00 C ATOM 210 CD2 TRP A 215 -6.256 7.791 2.337 1.00 1.00 C ATOM 211 NE1 TRP A 215 -6.436 9.964 2.852 1.00 1.00 N ATOM 212 CE2 TRP A 215 -5.853 9.091 1.972 1.00 1.00 C ATOM 213 CE3 TRP A 215 -5.794 6.708 1.588 1.00 1.00 C ATOM 214 CZ2 TRP A 215 -5.015 9.330 0.887 1.00 1.00 C ATOM 215 CZ3 TRP A 215 -4.961 6.946 0.515 1.00 1.00 C ATOM 216 CH2 TRP A 215 -4.577 8.248 0.174 1.00 1.00 C ATOM 0 H TRP A 215 -9.737 8.366 4.463 1.00 1.00 H new ATOM 0 HA TRP A 215 -9.110 6.210 2.643 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -7.860 7.072 5.274 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -7.181 5.908 4.152 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -7.751 9.688 4.566 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -6.330 10.978 2.838 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -6.084 5.700 1.844 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -4.721 10.334 0.618 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -4.599 6.114 -0.072 1.00 1.00 H new ATOM 0 HH2 TRP A 215 -3.921 8.402 -0.670 1.00 1.00 H new ATOM 227 N ARG A 216 -10.106 4.255 3.817 1.00 1.00 N ATOM 228 CA ARG A 216 -10.708 3.115 4.481 1.00 1.00 C ATOM 229 C ARG A 216 -9.713 1.968 4.600 1.00 1.00 C ATOM 230 O ARG A 216 -9.428 1.275 3.626 1.00 1.00 O ATOM 231 CB ARG A 216 -11.962 2.659 3.729 1.00 1.00 C ATOM 232 CG ARG A 216 -12.882 1.768 4.553 1.00 1.00 C ATOM 233 CD ARG A 216 -13.302 2.446 5.850 1.00 1.00 C ATOM 234 NE ARG A 216 -12.721 1.795 7.025 1.00 1.00 N ATOM 235 CZ ARG A 216 -11.860 2.377 7.860 1.00 1.00 C ATOM 236 NH1 ARG A 216 -11.507 3.646 7.684 1.00 1.00 N ATOM 237 NH2 ARG A 216 -11.365 1.689 8.881 1.00 1.00 N ATOM 0 H ARG A 216 -9.941 4.128 2.818 1.00 1.00 H new ATOM 0 HA ARG A 216 -10.996 3.421 5.487 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -12.519 3.538 3.403 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -11.660 2.121 2.830 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -13.768 1.518 3.969 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -12.375 0.830 4.779 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -12.996 3.492 5.827 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -14.389 2.433 5.930 1.00 1.00 H new ATOM 0 HE ARG A 216 -12.993 0.831 7.218 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -11.895 4.180 6.907 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -10.848 4.086 8.326 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -11.643 0.718 9.025 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -10.706 2.131 9.522 1.00 1.00 H new ATOM 251 N ARG A 217 -9.171 1.793 5.797 1.00 1.00 N ATOM 252 CA ARG A 217 -8.213 0.730 6.053 1.00 1.00 C ATOM 253 C ARG A 217 -8.921 -0.619 6.066 1.00 1.00 C ATOM 254 O ARG A 217 -10.095 -0.711 6.437 1.00 1.00 O ATOM 255 CB ARG A 217 -7.495 0.974 7.384 1.00 1.00 C ATOM 256 CG ARG A 217 -6.756 2.303 7.437 1.00 1.00 C ATOM 257 CD ARG A 217 -6.163 2.563 8.812 1.00 1.00 C ATOM 258 NE ARG A 217 -5.008 1.706 9.089 1.00 1.00 N ATOM 259 CZ ARG A 217 -4.227 1.829 10.164 1.00 1.00 C ATOM 260 NH1 ARG A 217 -4.469 2.772 11.060 1.00 1.00 N ATOM 261 NH2 ARG A 217 -3.201 1.006 10.340 1.00 1.00 N ATOM 0 H ARG A 217 -9.380 2.376 6.607 1.00 1.00 H new ATOM 0 HA ARG A 217 -7.469 0.724 5.256 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -8.224 0.940 8.193 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -6.786 0.165 7.559 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -5.961 2.307 6.691 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -7.441 3.111 7.177 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -5.863 3.608 8.884 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -6.927 2.397 9.572 1.00 1.00 H new ATOM 0 HE ARG A 217 -4.787 0.970 8.419 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -5.255 3.409 10.931 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -3.869 2.862 11.880 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -3.008 0.277 9.653 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -2.605 1.102 11.162 1.00 1.00 H new ATOM 275 N ASP A 218 -8.213 -1.659 5.653 1.00 1.00 N ATOM 276 CA ASP A 218 -8.786 -3.000 5.600 1.00 1.00 C ATOM 277 C ASP A 218 -8.798 -3.659 6.980 1.00 1.00 C ATOM 278 O ASP A 218 -8.451 -3.040 7.986 1.00 1.00 O ATOM 279 CB ASP A 218 -8.011 -3.873 4.606 1.00 1.00 C ATOM 280 CG ASP A 218 -6.806 -4.542 5.231 1.00 1.00 C ATOM 281 OD1 ASP A 218 -5.819 -3.842 5.526 1.00 1.00 O ATOM 282 OD2 ASP A 218 -6.849 -5.771 5.445 1.00 1.00 O ATOM 0 H ASP A 218 -7.241 -1.603 5.349 1.00 1.00 H new ATOM 0 HA ASP A 218 -9.818 -2.906 5.263 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -8.677 -4.636 4.203 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -7.686 -3.259 3.766 1.00 1.00 H new ATOM 287 N ARG A 219 -9.185 -4.931 7.003 1.00 1.00 N ATOM 288 CA ARG A 219 -9.270 -5.710 8.234 1.00 1.00 C ATOM 289 C ARG A 219 -7.926 -5.783 8.963 1.00 1.00 C ATOM 290 O ARG A 219 -7.879 -5.714 10.191 1.00 1.00 O ATOM 291 CB ARG A 219 -9.762 -7.125 7.917 1.00 1.00 C ATOM 292 CG ARG A 219 -10.043 -7.965 9.153 1.00 1.00 C ATOM 293 CD ARG A 219 -10.307 -9.421 8.802 1.00 1.00 C ATOM 294 NE ARG A 219 -11.546 -9.598 8.047 1.00 1.00 N ATOM 295 CZ ARG A 219 -11.972 -10.771 7.578 1.00 1.00 C ATOM 296 NH1 ARG A 219 -11.262 -11.878 7.786 1.00 1.00 N ATOM 297 NH2 ARG A 219 -13.113 -10.842 6.912 1.00 1.00 N ATOM 0 H ARG A 219 -9.449 -5.452 6.167 1.00 1.00 H new ATOM 0 HA ARG A 219 -9.977 -5.207 8.894 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -10.671 -7.059 7.319 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -9.015 -7.632 7.306 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -9.194 -7.904 9.834 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -10.905 -7.557 9.681 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -9.471 -9.808 8.219 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -10.356 -10.009 9.718 1.00 1.00 H new ATOM 0 HE ARG A 219 -12.120 -8.774 7.868 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -10.386 -11.832 8.307 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -11.594 -12.772 7.424 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -13.667 -9.999 6.757 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -13.439 -11.739 6.553 1.00 1.00 H new ATOM 311 N THR A 220 -6.838 -5.925 8.214 1.00 1.00 N ATOM 312 CA THR A 220 -5.514 -6.013 8.823 1.00 1.00 C ATOM 313 C THR A 220 -5.016 -4.633 9.251 1.00 1.00 C ATOM 314 O THR A 220 -4.211 -4.509 10.177 1.00 1.00 O ATOM 315 CB THR A 220 -4.488 -6.690 7.888 1.00 1.00 C ATOM 316 OG1 THR A 220 -4.573 -6.139 6.573 1.00 1.00 O ATOM 317 CG2 THR A 220 -4.723 -8.191 7.821 1.00 1.00 C ATOM 0 H THR A 220 -6.844 -5.981 7.196 1.00 1.00 H new ATOM 0 HA THR A 220 -5.613 -6.640 9.709 1.00 1.00 H new ATOM 0 HB THR A 220 -3.494 -6.506 8.295 1.00 1.00 H new ATOM 0 HG1 THR A 220 -5.417 -6.413 6.157 1.00 1.00 H new ATOM 0 HG21 THR A 220 -3.988 -8.645 7.156 1.00 1.00 H new ATOM 0 HG22 THR A 220 -4.624 -8.620 8.818 1.00 1.00 H new ATOM 0 HG23 THR A 220 -5.726 -8.386 7.440 1.00 1.00 H new ATOM 325 N GLY A 221 -5.498 -3.595 8.583 1.00 1.00 N ATOM 326 CA GLY A 221 -5.108 -2.248 8.945 1.00 1.00 C ATOM 327 C GLY A 221 -4.209 -1.576 7.928 1.00 1.00 C ATOM 328 O GLY A 221 -3.383 -0.736 8.287 1.00 1.00 O ATOM 0 H GLY A 221 -6.149 -3.661 7.801 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -6.005 -1.644 9.078 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -4.596 -2.274 9.907 1.00 1.00 H new ATOM 332 N HIS A 222 -4.346 -1.935 6.664 1.00 1.00 N ATOM 333 CA HIS A 222 -3.536 -1.320 5.622 1.00 1.00 C ATOM 334 C HIS A 222 -4.213 -0.046 5.129 1.00 1.00 C ATOM 335 O HIS A 222 -5.418 -0.036 4.883 1.00 1.00 O ATOM 336 CB HIS A 222 -3.311 -2.289 4.459 1.00 1.00 C ATOM 337 CG HIS A 222 -2.395 -3.430 4.793 1.00 1.00 C ATOM 338 ND1 HIS A 222 -2.848 -4.680 5.141 1.00 1.00 N ATOM 339 CD2 HIS A 222 -1.042 -3.506 4.818 1.00 1.00 C ATOM 340 CE1 HIS A 222 -1.818 -5.476 5.361 1.00 1.00 C ATOM 341 NE2 HIS A 222 -0.712 -4.789 5.171 1.00 1.00 N ATOM 0 H HIS A 222 -5.003 -2.642 6.334 1.00 1.00 H new ATOM 0 HA HIS A 222 -2.562 -1.069 6.042 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -4.273 -2.689 4.139 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -2.898 -1.739 3.614 1.00 1.00 H new ATOM 0 HD1 HIS A 222 -3.828 -4.951 5.217 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -0.352 -2.704 4.600 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -1.874 -6.516 5.648 1.00 1.00 H new ATOM 0 HE2 HIS A 222 0.236 -5.152 5.270 1.00 1.00 H new ATOM 350 N TYR A 223 -3.443 1.028 5.015 1.00 1.00 N ATOM 351 CA TYR A 223 -3.975 2.307 4.560 1.00 1.00 C ATOM 352 C TYR A 223 -4.363 2.251 3.088 1.00 1.00 C ATOM 353 O TYR A 223 -3.507 2.104 2.218 1.00 1.00 O ATOM 354 CB TYR A 223 -2.950 3.420 4.786 1.00 1.00 C ATOM 355 CG TYR A 223 -3.059 4.081 6.141 1.00 1.00 C ATOM 356 CD1 TYR A 223 -4.021 5.052 6.380 1.00 1.00 C ATOM 357 CD2 TYR A 223 -2.198 3.739 7.179 1.00 1.00 C ATOM 358 CE1 TYR A 223 -4.127 5.661 7.615 1.00 1.00 C ATOM 359 CE2 TYR A 223 -2.298 4.345 8.416 1.00 1.00 C ATOM 360 CZ TYR A 223 -3.262 5.306 8.629 1.00 1.00 C ATOM 361 OH TYR A 223 -3.369 5.907 9.862 1.00 1.00 O ATOM 0 H TYR A 223 -2.446 1.039 5.232 1.00 1.00 H new ATOM 0 HA TYR A 223 -4.871 2.521 5.142 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -1.948 3.007 4.673 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -3.072 4.177 4.011 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -4.698 5.336 5.588 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -1.440 2.988 7.015 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -4.884 6.412 7.786 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -1.624 4.067 9.213 1.00 1.00 H new ATOM 0 HH TYR A 223 -2.686 5.543 10.464 1.00 1.00 H new ATOM 371 N LEU A 224 -5.659 2.355 2.831 1.00 1.00 N ATOM 372 CA LEU A 224 -6.190 2.327 1.474 1.00 1.00 C ATOM 373 C LEU A 224 -7.155 3.492 1.277 1.00 1.00 C ATOM 374 O LEU A 224 -7.634 4.077 2.252 1.00 1.00 O ATOM 375 CB LEU A 224 -6.909 1.000 1.204 1.00 1.00 C ATOM 376 CG LEU A 224 -6.128 -0.260 1.590 1.00 1.00 C ATOM 377 CD1 LEU A 224 -7.067 -1.448 1.712 1.00 1.00 C ATOM 378 CD2 LEU A 224 -5.034 -0.549 0.573 1.00 1.00 C ATOM 0 H LEU A 224 -6.371 2.461 3.554 1.00 1.00 H new ATOM 0 HA LEU A 224 -5.362 2.420 0.771 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -7.854 1.001 1.746 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -7.151 0.946 0.142 1.00 1.00 H new ATOM 0 HG LEU A 224 -5.657 -0.088 2.558 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -6.497 -2.336 1.987 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -7.814 -1.244 2.479 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -7.565 -1.618 0.757 1.00 1.00 H new ATOM 0 HD21 LEU A 224 -4.492 -1.448 0.867 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -5.481 -0.700 -0.410 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -4.344 0.294 0.532 1.00 1.00 H new ATOM 390 N CYS A 225 -7.440 3.831 0.026 1.00 1.00 N ATOM 391 CA CYS A 225 -8.343 4.930 -0.279 1.00 1.00 C ATOM 392 C CYS A 225 -9.797 4.464 -0.269 1.00 1.00 C ATOM 393 O CYS A 225 -10.116 3.390 0.241 1.00 1.00 O ATOM 394 CB CYS A 225 -7.993 5.533 -1.641 1.00 1.00 C ATOM 395 SG CYS A 225 -7.913 4.312 -2.989 1.00 1.00 S ATOM 0 H CYS A 225 -7.058 3.359 -0.794 1.00 1.00 H new ATOM 0 HA CYS A 225 -8.225 5.692 0.491 1.00 1.00 H new ATOM 0 HB2 CYS A 225 -8.735 6.291 -1.894 1.00 1.00 H new ATOM 0 HB3 CYS A 225 -7.031 6.041 -1.566 1.00 1.00 H new ATOM 400 N ASN A 226 -10.676 5.274 -0.840 1.00 1.00 N ATOM 401 CA ASN A 226 -12.092 4.940 -0.906 1.00 1.00 C ATOM 402 C ASN A 226 -12.395 4.231 -2.216 1.00 1.00 C ATOM 403 O ASN A 226 -13.552 4.024 -2.578 1.00 1.00 O ATOM 404 CB ASN A 226 -12.950 6.199 -0.776 1.00 1.00 C ATOM 405 CG ASN A 226 -14.191 5.967 0.063 1.00 1.00 C ATOM 406 OD1 ASN A 226 -15.281 5.737 -0.460 1.00 1.00 O ATOM 407 ND2 ASN A 226 -14.028 6.024 1.374 1.00 1.00 N ATOM 0 H ASN A 226 -10.434 6.169 -1.265 1.00 1.00 H new ATOM 0 HA ASN A 226 -12.332 4.275 -0.076 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -12.356 6.996 -0.329 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -13.244 6.539 -1.769 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -14.824 5.874 1.994 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -13.106 6.218 1.765 1.00 1.00 H new ATOM 414 N ALA A 227 -11.339 3.891 -2.938 1.00 1.00 N ATOM 415 CA ALA A 227 -11.467 3.187 -4.201 1.00 1.00 C ATOM 416 C ALA A 227 -10.866 1.799 -4.068 1.00 1.00 C ATOM 417 O ALA A 227 -11.571 0.793 -4.148 1.00 1.00 O ATOM 418 CB ALA A 227 -10.785 3.960 -5.322 1.00 1.00 C ATOM 0 H ALA A 227 -10.377 4.094 -2.667 1.00 1.00 H new ATOM 0 HA ALA A 227 -12.524 3.098 -4.452 1.00 1.00 H new ATOM 0 HB1 ALA A 227 -10.894 3.414 -6.259 1.00 1.00 H new ATOM 0 HB2 ALA A 227 -11.246 4.943 -5.419 1.00 1.00 H new ATOM 0 HB3 ALA A 227 -9.726 4.078 -5.091 1.00 1.00 H new ATOM 424 N CYS A 228 -9.564 1.758 -3.826 1.00 1.00 N ATOM 425 CA CYS A 228 -8.849 0.506 -3.666 1.00 1.00 C ATOM 426 C CYS A 228 -9.244 -0.172 -2.354 1.00 1.00 C ATOM 427 O CYS A 228 -9.214 -1.400 -2.235 1.00 1.00 O ATOM 428 CB CYS A 228 -7.349 0.779 -3.704 1.00 1.00 C ATOM 429 SG CYS A 228 -6.838 1.855 -5.086 1.00 1.00 S ATOM 0 H CYS A 228 -8.978 2.588 -3.736 1.00 1.00 H new ATOM 0 HA CYS A 228 -9.111 -0.169 -4.481 1.00 1.00 H new ATOM 0 HB2 CYS A 228 -7.048 1.241 -2.764 1.00 1.00 H new ATOM 0 HB3 CYS A 228 -6.817 -0.170 -3.777 1.00 1.00 H new ATOM 434 N GLY A 229 -9.627 0.642 -1.374 1.00 1.00 N ATOM 435 CA GLY A 229 -10.038 0.116 -0.088 1.00 1.00 C ATOM 436 C GLY A 229 -11.299 -0.712 -0.189 1.00 1.00 C ATOM 437 O GLY A 229 -11.489 -1.667 0.565 1.00 1.00 O ATOM 0 H GLY A 229 -9.659 1.659 -1.450 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -9.236 -0.495 0.326 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -10.201 0.941 0.605 1.00 1.00 H new ATOM 441 N LEU A 230 -12.156 -0.362 -1.139 1.00 1.00 N ATOM 442 CA LEU A 230 -13.403 -1.081 -1.336 1.00 1.00 C ATOM 443 C LEU A 230 -13.129 -2.507 -1.794 1.00 1.00 C ATOM 444 O LEU A 230 -13.750 -3.451 -1.313 1.00 1.00 O ATOM 445 CB LEU A 230 -14.290 -0.367 -2.357 1.00 1.00 C ATOM 446 CG LEU A 230 -14.869 0.971 -1.896 1.00 1.00 C ATOM 447 CD1 LEU A 230 -15.764 1.567 -2.967 1.00 1.00 C ATOM 448 CD2 LEU A 230 -15.637 0.799 -0.601 1.00 1.00 C ATOM 0 H LEU A 230 -12.009 0.415 -1.783 1.00 1.00 H new ATOM 0 HA LEU A 230 -13.928 -1.110 -0.381 1.00 1.00 H new ATOM 0 HB2 LEU A 230 -13.709 -0.200 -3.264 1.00 1.00 H new ATOM 0 HB3 LEU A 230 -15.114 -1.029 -2.623 1.00 1.00 H new ATOM 0 HG LEU A 230 -14.041 1.658 -1.720 1.00 1.00 H new ATOM 0 HD11 LEU A 230 -16.165 2.518 -2.618 1.00 1.00 H new ATOM 0 HD12 LEU A 230 -15.185 1.729 -3.876 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -16.586 0.882 -3.177 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -16.042 1.761 -0.288 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -16.454 0.094 -0.753 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -14.968 0.418 0.171 1.00 1.00 H new ATOM 460 N TYR A 231 -12.178 -2.658 -2.710 1.00 1.00 N ATOM 461 CA TYR A 231 -11.814 -3.973 -3.228 1.00 1.00 C ATOM 462 C TYR A 231 -11.370 -4.894 -2.096 1.00 1.00 C ATOM 463 O TYR A 231 -11.862 -6.012 -1.965 1.00 1.00 O ATOM 464 CB TYR A 231 -10.700 -3.853 -4.283 1.00 1.00 C ATOM 465 CG TYR A 231 -9.767 -5.051 -4.339 1.00 1.00 C ATOM 466 CD1 TYR A 231 -10.171 -6.253 -4.909 1.00 1.00 C ATOM 467 CD2 TYR A 231 -8.487 -4.977 -3.805 1.00 1.00 C ATOM 468 CE1 TYR A 231 -9.321 -7.344 -4.948 1.00 1.00 C ATOM 469 CE2 TYR A 231 -7.635 -6.061 -3.842 1.00 1.00 C ATOM 470 CZ TYR A 231 -8.054 -7.242 -4.409 1.00 1.00 C ATOM 471 OH TYR A 231 -7.200 -8.323 -4.443 1.00 1.00 O ATOM 0 H TYR A 231 -11.645 -1.886 -3.110 1.00 1.00 H new ATOM 0 HA TYR A 231 -12.695 -4.405 -3.702 1.00 1.00 H new ATOM 0 HB2 TYR A 231 -11.156 -3.715 -5.263 1.00 1.00 H new ATOM 0 HB3 TYR A 231 -10.113 -2.958 -4.076 1.00 1.00 H new ATOM 0 HD1 TYR A 231 -11.163 -6.336 -5.328 1.00 1.00 H new ATOM 0 HD2 TYR A 231 -8.153 -4.055 -3.353 1.00 1.00 H new ATOM 0 HE1 TYR A 231 -9.647 -8.270 -5.398 1.00 1.00 H new ATOM 0 HE2 TYR A 231 -6.641 -5.983 -3.427 1.00 1.00 H new ATOM 0 HH TYR A 231 -6.349 -8.081 -4.022 1.00 1.00 H new ATOM 481 N HIS A 232 -10.459 -4.404 -1.264 1.00 1.00 N ATOM 482 CA HIS A 232 -9.936 -5.190 -0.152 1.00 1.00 C ATOM 483 C HIS A 232 -11.025 -5.496 0.879 1.00 1.00 C ATOM 484 O HIS A 232 -10.978 -6.528 1.550 1.00 1.00 O ATOM 485 CB HIS A 232 -8.776 -4.448 0.519 1.00 1.00 C ATOM 486 CG HIS A 232 -7.777 -5.351 1.178 1.00 1.00 C ATOM 487 ND1 HIS A 232 -8.129 -6.439 1.946 1.00 1.00 N ATOM 488 CD2 HIS A 232 -6.424 -5.322 1.174 1.00 1.00 C ATOM 489 CE1 HIS A 232 -7.038 -7.035 2.387 1.00 1.00 C ATOM 490 NE2 HIS A 232 -5.988 -6.378 1.932 1.00 1.00 N ATOM 0 H HIS A 232 -10.067 -3.465 -1.338 1.00 1.00 H new ATOM 0 HA HIS A 232 -9.576 -6.137 -0.554 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -8.265 -3.841 -0.229 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -9.179 -3.763 1.265 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -9.084 -6.737 2.143 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -5.802 -4.600 0.667 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -7.009 -7.913 3.015 1.00 1.00 H new ATOM 0 HE2 HIS A 232 -5.013 -6.616 2.114 1.00 1.00 H new ATOM 499 N LYS A 233 -11.999 -4.603 0.992 1.00 1.00 N ATOM 500 CA LYS A 233 -13.086 -4.774 1.948 1.00 1.00 C ATOM 501 C LYS A 233 -14.115 -5.793 1.458 1.00 1.00 C ATOM 502 O LYS A 233 -14.548 -6.661 2.219 1.00 1.00 O ATOM 503 CB LYS A 233 -13.775 -3.432 2.207 1.00 1.00 C ATOM 504 CG LYS A 233 -14.527 -3.381 3.526 1.00 1.00 C ATOM 505 CD LYS A 233 -15.486 -2.203 3.581 1.00 1.00 C ATOM 506 CE LYS A 233 -16.711 -2.440 2.712 1.00 1.00 C ATOM 507 NZ LYS A 233 -17.792 -1.462 2.996 1.00 1.00 N ATOM 0 H LYS A 233 -12.059 -3.752 0.433 1.00 1.00 H new ATOM 0 HA LYS A 233 -12.653 -5.150 2.875 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -13.026 -2.640 2.194 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -14.471 -3.227 1.393 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -15.082 -4.309 3.665 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -13.815 -3.309 4.348 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -15.797 -2.034 4.612 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -14.973 -1.300 3.250 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -16.429 -2.373 1.661 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -17.084 -3.451 2.878 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -18.608 -1.659 2.382 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -18.080 -1.543 3.992 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -17.446 -0.499 2.813 1.00 1.00 H new ATOM 521 N MET A 234 -14.495 -5.688 0.189 1.00 1.00 N ATOM 522 CA MET A 234 -15.495 -6.585 -0.391 1.00 1.00 C ATOM 523 C MET A 234 -14.927 -7.978 -0.636 1.00 1.00 C ATOM 524 O MET A 234 -15.581 -8.981 -0.351 1.00 1.00 O ATOM 525 CB MET A 234 -16.039 -6.023 -1.712 1.00 1.00 C ATOM 526 CG MET A 234 -16.504 -4.575 -1.640 1.00 1.00 C ATOM 527 SD MET A 234 -17.728 -4.281 -0.347 1.00 1.00 S ATOM 528 CE MET A 234 -18.273 -2.630 -0.778 1.00 1.00 C ATOM 0 H MET A 234 -14.127 -4.992 -0.459 1.00 1.00 H new ATOM 0 HA MET A 234 -16.307 -6.660 0.332 1.00 1.00 H new ATOM 0 HB2 MET A 234 -15.263 -6.104 -2.473 1.00 1.00 H new ATOM 0 HB3 MET A 234 -16.873 -6.643 -2.039 1.00 1.00 H new ATOM 0 HG2 MET A 234 -15.641 -3.932 -1.467 1.00 1.00 H new ATOM 0 HG3 MET A 234 -16.927 -4.288 -2.603 1.00 1.00 H new ATOM 0 HE1 MET A 234 -18.792 -2.185 0.071 1.00 1.00 H new ATOM 0 HE2 MET A 234 -17.409 -2.018 -1.037 1.00 1.00 H new ATOM 0 HE3 MET A 234 -18.950 -2.681 -1.631 1.00 1.00 H new ATOM 538 N ASN A 235 -13.712 -8.033 -1.169 1.00 1.00 N ATOM 539 CA ASN A 235 -13.054 -9.304 -1.478 1.00 1.00 C ATOM 540 C ASN A 235 -12.834 -10.141 -0.221 1.00 1.00 C ATOM 541 O ASN A 235 -13.090 -11.346 -0.211 1.00 1.00 O ATOM 542 CB ASN A 235 -11.712 -9.045 -2.174 1.00 1.00 C ATOM 543 CG ASN A 235 -10.978 -10.316 -2.560 1.00 1.00 C ATOM 544 OD1 ASN A 235 -11.589 -11.347 -2.838 1.00 1.00 O ATOM 545 ND2 ASN A 235 -9.656 -10.251 -2.576 1.00 1.00 N ATOM 0 H ASN A 235 -13.157 -7.209 -1.399 1.00 1.00 H new ATOM 0 HA ASN A 235 -13.708 -9.865 -2.145 1.00 1.00 H new ATOM 0 HB2 ASN A 235 -11.885 -8.448 -3.069 1.00 1.00 H new ATOM 0 HB3 ASN A 235 -11.077 -8.454 -1.514 1.00 1.00 H new ATOM 0 HD21 ASN A 235 -9.108 -11.074 -2.825 1.00 1.00 H new ATOM 0 HD22 ASN A 235 -9.185 -9.378 -2.339 1.00 1.00 H new ATOM 552 N GLY A 236 -12.359 -9.498 0.838 1.00 1.00 N ATOM 553 CA GLY A 236 -12.096 -10.205 2.076 1.00 1.00 C ATOM 554 C GLY A 236 -10.659 -10.672 2.140 1.00 1.00 C ATOM 555 O GLY A 236 -10.046 -10.709 3.209 1.00 1.00 O ATOM 0 H GLY A 236 -12.151 -8.500 0.862 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -12.308 -9.553 2.923 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -12.764 -11.062 2.158 1.00 1.00 H new ATOM 559 N GLN A 237 -10.123 -11.025 0.982 1.00 1.00 N ATOM 560 CA GLN A 237 -8.747 -11.478 0.875 1.00 1.00 C ATOM 561 C GLN A 237 -7.850 -10.297 0.528 1.00 1.00 C ATOM 562 O GLN A 237 -8.340 -9.186 0.308 1.00 1.00 O ATOM 563 CB GLN A 237 -8.617 -12.564 -0.197 1.00 1.00 C ATOM 564 CG GLN A 237 -9.827 -13.476 -0.295 1.00 1.00 C ATOM 565 CD GLN A 237 -9.526 -14.757 -1.045 1.00 1.00 C ATOM 566 OE1 GLN A 237 -9.659 -14.823 -2.265 1.00 1.00 O ATOM 567 NE2 GLN A 237 -9.121 -15.785 -0.318 1.00 1.00 N ATOM 0 H GLN A 237 -10.627 -11.006 0.095 1.00 1.00 H new ATOM 0 HA GLN A 237 -8.441 -11.901 1.832 1.00 1.00 H new ATOM 0 HB2 GLN A 237 -8.452 -12.089 -1.164 1.00 1.00 H new ATOM 0 HB3 GLN A 237 -7.735 -13.168 0.016 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -10.177 -13.719 0.708 1.00 1.00 H new ATOM 0 HG3 GLN A 237 -10.638 -12.947 -0.796 1.00 1.00 H new ATOM 0 HE21 GLN A 237 -9.024 -15.688 0.693 1.00 1.00 H new ATOM 0 HE22 GLN A 237 -8.906 -16.675 -0.768 1.00 1.00 H new ATOM 576 N ASN A 238 -6.549 -10.534 0.474 1.00 1.00 N ATOM 577 CA ASN A 238 -5.597 -9.478 0.152 1.00 1.00 C ATOM 578 C ASN A 238 -5.231 -9.523 -1.325 1.00 1.00 C ATOM 579 O ASN A 238 -4.258 -10.222 -1.675 1.00 1.00 O ATOM 580 CB ASN A 238 -4.336 -9.617 1.008 1.00 1.00 C ATOM 581 CG ASN A 238 -3.393 -8.438 0.855 1.00 1.00 C ATOM 582 OD1 ASN A 238 -3.510 -7.438 1.568 1.00 1.00 O ATOM 583 ND2 ASN A 238 -2.454 -8.543 -0.074 1.00 1.00 N ATOM 0 H ASN A 238 -6.127 -11.446 0.648 1.00 1.00 H new ATOM 0 HA ASN A 238 -6.065 -8.517 0.368 1.00 1.00 H new ATOM 0 HB2 ASN A 238 -4.622 -9.715 2.055 1.00 1.00 H new ATOM 0 HB3 ASN A 238 -3.814 -10.533 0.733 1.00 1.00 H new ATOM 0 HD21 ASN A 238 -1.794 -7.779 -0.220 1.00 1.00 H new ATOM 0 HD22 ASN A 238 -2.391 -9.387 -0.643 1.00 1.00 H new TER 590 ASN A 238 ATOM 591 N GLY B 1 25.383 1.461 4.089 1.00 1.00 N ATOM 592 CA GLY B 1 25.431 0.125 3.449 1.00 1.00 C ATOM 593 C GLY B 1 24.064 -0.521 3.382 1.00 1.00 C ATOM 594 O GLY B 1 23.721 -1.139 2.376 1.00 1.00 O ATOM 0 H1 GLY B 1 26.314 1.918 4.009 1.00 1.00 H new ATOM 0 H2 GLY B 1 24.667 2.048 3.615 1.00 1.00 H new ATOM 0 H3 GLY B 1 25.134 1.356 5.093 1.00 1.00 H new ATOM 0 HA2 GLY B 1 25.837 0.220 2.442 1.00 1.00 H new ATOM 0 HA3 GLY B 1 26.110 -0.520 4.007 1.00 1.00 H new ATOM 600 N SER B 2 23.285 -0.372 4.456 1.00 1.00 N ATOM 601 CA SER B 2 21.939 -0.939 4.534 1.00 1.00 C ATOM 602 C SER B 2 21.982 -2.466 4.473 1.00 1.00 C ATOM 603 O SER B 2 21.119 -3.103 3.870 1.00 1.00 O ATOM 604 CB SER B 2 21.053 -0.369 3.417 1.00 1.00 C ATOM 605 OG SER B 2 21.041 1.052 3.458 1.00 1.00 O ATOM 0 H SER B 2 23.568 0.142 5.290 1.00 1.00 H new ATOM 0 HA SER B 2 21.505 -0.658 5.494 1.00 1.00 H new ATOM 0 HB2 SER B 2 21.420 -0.706 2.448 1.00 1.00 H new ATOM 0 HB3 SER B 2 20.037 -0.749 3.523 1.00 1.00 H new ATOM 0 HG SER B 2 20.608 1.399 2.650 1.00 1.00 H new ATOM 611 N LEU B 3 22.983 -3.048 5.122 1.00 1.00 N ATOM 612 CA LEU B 3 23.141 -4.494 5.145 1.00 1.00 C ATOM 613 C LEU B 3 22.102 -5.117 6.066 1.00 1.00 C ATOM 614 O LEU B 3 22.152 -4.929 7.284 1.00 1.00 O ATOM 615 CB LEU B 3 24.552 -4.871 5.602 1.00 1.00 C ATOM 616 CG LEU B 3 25.682 -4.400 4.680 1.00 1.00 C ATOM 617 CD1 LEU B 3 27.037 -4.675 5.313 1.00 1.00 C ATOM 618 CD2 LEU B 3 25.579 -5.081 3.320 1.00 1.00 C ATOM 0 H LEU B 3 23.698 -2.538 5.640 1.00 1.00 H new ATOM 0 HA LEU B 3 22.993 -4.878 4.136 1.00 1.00 H new ATOM 0 HB2 LEU B 3 24.718 -4.456 6.596 1.00 1.00 H new ATOM 0 HB3 LEU B 3 24.609 -5.955 5.696 1.00 1.00 H new ATOM 0 HG LEU B 3 25.583 -3.324 4.535 1.00 1.00 H new ATOM 0 HD11 LEU B 3 27.827 -4.334 4.644 1.00 1.00 H new ATOM 0 HD12 LEU B 3 27.110 -4.143 6.262 1.00 1.00 H new ATOM 0 HD13 LEU B 3 27.146 -5.745 5.488 1.00 1.00 H new ATOM 0 HD21 LEU B 3 26.389 -4.735 2.678 1.00 1.00 H new ATOM 0 HD22 LEU B 3 25.653 -6.161 3.447 1.00 1.00 H new ATOM 0 HD23 LEU B 3 24.622 -4.834 2.861 1.00 1.00 H new ATOM 630 N LEU B 4 21.152 -5.838 5.466 1.00 1.00 N ATOM 631 CA LEU B 4 20.067 -6.493 6.205 1.00 1.00 C ATOM 632 C LEU B 4 19.144 -5.450 6.832 1.00 1.00 C ATOM 633 O LEU B 4 18.403 -5.741 7.774 1.00 1.00 O ATOM 634 CB LEU B 4 20.616 -7.436 7.291 1.00 1.00 C ATOM 635 CG LEU B 4 20.818 -8.897 6.871 1.00 1.00 C ATOM 636 CD1 LEU B 4 19.516 -9.497 6.366 1.00 1.00 C ATOM 637 CD2 LEU B 4 21.908 -9.014 5.816 1.00 1.00 C ATOM 0 H LEU B 4 21.112 -5.985 4.457 1.00 1.00 H new ATOM 0 HA LEU B 4 19.497 -7.092 5.495 1.00 1.00 H new ATOM 0 HB2 LEU B 4 21.572 -7.042 7.637 1.00 1.00 H new ATOM 0 HB3 LEU B 4 19.935 -7.414 8.142 1.00 1.00 H new ATOM 0 HG LEU B 4 21.136 -9.459 7.749 1.00 1.00 H new ATOM 0 HD11 LEU B 4 19.682 -10.534 6.073 1.00 1.00 H new ATOM 0 HD12 LEU B 4 18.767 -9.459 7.157 1.00 1.00 H new ATOM 0 HD13 LEU B 4 19.164 -8.929 5.505 1.00 1.00 H new ATOM 0 HD21 LEU B 4 22.032 -10.060 5.535 1.00 1.00 H new ATOM 0 HD22 LEU B 4 21.628 -8.433 4.937 1.00 1.00 H new ATOM 0 HD23 LEU B 4 22.846 -8.633 6.219 1.00 1.00 H new ATOM 649 N LYS B 5 19.191 -4.235 6.300 1.00 1.00 N ATOM 650 CA LYS B 5 18.371 -3.141 6.801 1.00 1.00 C ATOM 651 C LYS B 5 17.794 -2.331 5.648 1.00 1.00 C ATOM 652 O LYS B 5 18.527 -1.647 4.935 1.00 1.00 O ATOM 653 CB LYS B 5 19.194 -2.221 7.708 1.00 1.00 C ATOM 654 CG LYS B 5 19.631 -2.868 9.011 1.00 1.00 C ATOM 655 CD LYS B 5 18.991 -2.196 10.215 1.00 1.00 C ATOM 656 CE LYS B 5 17.473 -2.327 10.198 1.00 1.00 C ATOM 657 NZ LYS B 5 16.866 -1.906 11.489 1.00 1.00 N ATOM 0 H LYS B 5 19.793 -3.982 5.516 1.00 1.00 H new ATOM 0 HA LYS B 5 17.553 -3.573 7.378 1.00 1.00 H new ATOM 0 HB2 LYS B 5 20.079 -1.889 7.165 1.00 1.00 H new ATOM 0 HB3 LYS B 5 18.607 -1.331 7.935 1.00 1.00 H new ATOM 0 HG2 LYS B 5 19.364 -3.925 9.000 1.00 1.00 H new ATOM 0 HG3 LYS B 5 20.716 -2.814 9.098 1.00 1.00 H new ATOM 0 HD2 LYS B 5 19.384 -2.640 11.130 1.00 1.00 H new ATOM 0 HD3 LYS B 5 19.264 -1.141 10.230 1.00 1.00 H new ATOM 0 HE2 LYS B 5 17.065 -1.720 9.390 1.00 1.00 H new ATOM 0 HE3 LYS B 5 17.200 -3.361 9.989 1.00 1.00 H new ATOM 0 HZ1 LYS B 5 15.833 -2.010 11.437 1.00 1.00 H new ATOM 0 HZ2 LYS B 5 17.236 -2.502 12.257 1.00 1.00 H new ATOM 0 HZ3 LYS B 5 17.105 -0.911 11.677 1.00 1.00 H new ATOM 671 N PRO B 6 16.472 -2.406 5.443 1.00 1.00 N ATOM 672 CA PRO B 6 15.800 -1.667 4.375 1.00 1.00 C ATOM 673 C PRO B 6 15.743 -0.169 4.668 1.00 1.00 C ATOM 674 O PRO B 6 14.901 0.295 5.437 1.00 1.00 O ATOM 675 CB PRO B 6 14.393 -2.273 4.351 1.00 1.00 C ATOM 676 CG PRO B 6 14.178 -2.797 5.730 1.00 1.00 C ATOM 677 CD PRO B 6 15.531 -3.220 6.234 1.00 1.00 C ATOM 0 HA PRO B 6 16.322 -1.751 3.422 1.00 1.00 H new ATOM 0 HB2 PRO B 6 13.645 -1.524 4.092 1.00 1.00 H new ATOM 0 HB3 PRO B 6 14.318 -3.069 3.610 1.00 1.00 H new ATOM 0 HG2 PRO B 6 13.744 -2.032 6.374 1.00 1.00 H new ATOM 0 HG3 PRO B 6 13.485 -3.638 5.723 1.00 1.00 H new ATOM 0 HD2 PRO B 6 15.637 -3.030 7.302 1.00 1.00 H new ATOM 0 HD3 PRO B 6 15.699 -4.286 6.082 1.00 1.00 H new ATOM 685 N ALA B 7 16.646 0.586 4.059 1.00 1.00 N ATOM 686 CA ALA B 7 16.701 2.026 4.266 1.00 1.00 C ATOM 687 C ALA B 7 16.157 2.770 3.053 1.00 1.00 C ATOM 688 O ALA B 7 16.345 3.979 2.909 1.00 1.00 O ATOM 689 CB ALA B 7 18.129 2.461 4.564 1.00 1.00 C ATOM 0 H ALA B 7 17.351 0.225 3.417 1.00 1.00 H new ATOM 0 HA ALA B 7 16.074 2.274 5.123 1.00 1.00 H new ATOM 0 HB1 ALA B 7 18.156 3.540 4.717 1.00 1.00 H new ATOM 0 HB2 ALA B 7 18.482 1.958 5.464 1.00 1.00 H new ATOM 0 HB3 ALA B 7 18.772 2.197 3.725 1.00 1.00 H new ATOM 695 N ARG B 8 15.485 2.042 2.175 1.00 1.00 N ATOM 696 CA ARG B 8 14.915 2.638 0.977 1.00 1.00 C ATOM 697 C ARG B 8 13.413 2.409 0.936 1.00 1.00 C ATOM 698 O ARG B 8 12.948 1.276 1.042 1.00 1.00 O ATOM 699 CB ARG B 8 15.570 2.066 -0.283 1.00 1.00 C ATOM 700 CG ARG B 8 17.048 2.402 -0.410 1.00 1.00 C ATOM 701 CD ARG B 8 17.295 3.897 -0.289 1.00 1.00 C ATOM 702 NE ARG B 8 18.721 4.224 -0.298 1.00 1.00 N ATOM 703 CZ ARG B 8 19.331 4.910 0.668 1.00 1.00 C ATOM 704 NH1 ARG B 8 18.664 5.255 1.761 1.00 1.00 N ATOM 705 NH2 ARG B 8 20.616 5.219 0.555 1.00 1.00 N ATOM 0 H ARG B 8 15.321 1.040 2.269 1.00 1.00 H new ATOM 0 HA ARG B 8 15.108 3.710 1.007 1.00 1.00 H new ATOM 0 HB2 ARG B 8 15.451 0.982 -0.283 1.00 1.00 H new ATOM 0 HB3 ARG B 8 15.044 2.445 -1.159 1.00 1.00 H new ATOM 0 HG2 ARG B 8 17.609 1.876 0.363 1.00 1.00 H new ATOM 0 HG3 ARG B 8 17.421 2.048 -1.371 1.00 1.00 H new ATOM 0 HD2 ARG B 8 16.800 4.413 -1.112 1.00 1.00 H new ATOM 0 HD3 ARG B 8 16.846 4.264 0.634 1.00 1.00 H new ATOM 0 HE ARG B 8 19.281 3.908 -1.090 1.00 1.00 H new ATOM 0 HH11 ARG B 8 17.683 4.995 1.863 1.00 1.00 H new ATOM 0 HH12 ARG B 8 19.132 5.780 2.500 1.00 1.00 H new ATOM 0 HH21 ARG B 8 21.139 4.931 -0.272 1.00 1.00 H new ATOM 0 HH22 ARG B 8 21.081 5.744 1.295 1.00 1.00 H new ATOM 719 N PHE B 9 12.663 3.491 0.795 1.00 1.00 N ATOM 720 CA PHE B 9 11.208 3.418 0.738 1.00 1.00 C ATOM 721 C PHE B 9 10.704 3.944 -0.602 1.00 1.00 C ATOM 722 O PHE B 9 9.846 4.826 -0.661 1.00 1.00 O ATOM 723 CB PHE B 9 10.570 4.201 1.897 1.00 1.00 C ATOM 724 CG PHE B 9 11.427 5.313 2.442 1.00 1.00 C ATOM 725 CD1 PHE B 9 11.399 6.575 1.871 1.00 1.00 C ATOM 726 CD2 PHE B 9 12.259 5.091 3.529 1.00 1.00 C ATOM 727 CE1 PHE B 9 12.182 7.595 2.374 1.00 1.00 C ATOM 728 CE2 PHE B 9 13.044 6.109 4.036 1.00 1.00 C ATOM 729 CZ PHE B 9 13.008 7.360 3.456 1.00 1.00 C ATOM 0 H PHE B 9 13.039 4.436 0.717 1.00 1.00 H new ATOM 0 HA PHE B 9 10.916 2.373 0.837 1.00 1.00 H new ATOM 0 HB2 PHE B 9 9.623 4.621 1.558 1.00 1.00 H new ATOM 0 HB3 PHE B 9 10.339 3.507 2.705 1.00 1.00 H new ATOM 0 HD1 PHE B 9 10.757 6.763 1.023 1.00 1.00 H new ATOM 0 HD2 PHE B 9 12.294 4.112 3.984 1.00 1.00 H new ATOM 0 HE1 PHE B 9 12.149 8.575 1.922 1.00 1.00 H new ATOM 0 HE2 PHE B 9 13.685 5.925 4.886 1.00 1.00 H new ATOM 0 HZ PHE B 9 13.625 8.155 3.848 1.00 1.00 H new ATOM 739 N MET B 10 11.256 3.404 -1.676 1.00 1.00 N ATOM 740 CA MET B 10 10.876 3.803 -3.023 1.00 1.00 C ATOM 741 C MET B 10 11.219 2.704 -4.013 1.00 1.00 C ATOM 742 O MET B 10 12.392 2.389 -4.220 1.00 1.00 O ATOM 743 CB MET B 10 11.577 5.102 -3.432 1.00 1.00 C ATOM 744 CG MET B 10 11.340 5.481 -4.884 1.00 1.00 C ATOM 745 SD MET B 10 12.231 6.970 -5.372 1.00 1.00 S ATOM 746 CE MET B 10 11.880 7.012 -7.130 1.00 1.00 C ATOM 0 H MET B 10 11.975 2.682 -1.641 1.00 1.00 H new ATOM 0 HA MET B 10 9.799 3.974 -3.030 1.00 1.00 H new ATOM 0 HB2 MET B 10 11.229 5.912 -2.791 1.00 1.00 H new ATOM 0 HB3 MET B 10 12.648 4.998 -3.261 1.00 1.00 H new ATOM 0 HG2 MET B 10 11.645 4.654 -5.525 1.00 1.00 H new ATOM 0 HG3 MET B 10 10.273 5.632 -5.046 1.00 1.00 H new ATOM 0 HE1 MET B 10 12.364 7.880 -7.577 1.00 1.00 H new ATOM 0 HE2 MET B 10 12.259 6.104 -7.598 1.00 1.00 H new ATOM 0 HE3 MET B 10 10.803 7.078 -7.285 1.00 1.00 H new ATOM 756 N CYS B 11 10.198 2.115 -4.606 1.00 1.00 N ATOM 757 CA CYS B 11 10.398 1.068 -5.582 1.00 1.00 C ATOM 758 C CYS B 11 10.782 1.661 -6.925 1.00 1.00 C ATOM 759 O CYS B 11 9.983 2.335 -7.575 1.00 1.00 O ATOM 760 CB CYS B 11 9.137 0.229 -5.716 1.00 1.00 C ATOM 761 SG CYS B 11 8.529 -0.423 -4.133 1.00 1.00 S ATOM 0 H CYS B 11 9.221 2.346 -4.426 1.00 1.00 H new ATOM 0 HA CYS B 11 11.212 0.427 -5.243 1.00 1.00 H new ATOM 0 HB2 CYS B 11 8.355 0.834 -6.175 1.00 1.00 H new ATOM 0 HB3 CYS B 11 9.334 -0.604 -6.391 1.00 1.00 H new ATOM 766 N LEU B 12 12.017 1.416 -7.321 1.00 1.00 N ATOM 767 CA LEU B 12 12.533 1.905 -8.587 1.00 1.00 C ATOM 768 C LEU B 12 11.747 1.328 -9.779 1.00 1.00 C ATOM 769 O LEU B 12 11.382 2.075 -10.687 1.00 1.00 O ATOM 770 CB LEU B 12 14.026 1.585 -8.698 1.00 1.00 C ATOM 771 CG LEU B 12 14.864 2.045 -7.501 1.00 1.00 C ATOM 772 CD1 LEU B 12 16.269 1.474 -7.573 1.00 1.00 C ATOM 773 CD2 LEU B 12 14.908 3.564 -7.428 1.00 1.00 C ATOM 0 H LEU B 12 12.689 0.875 -6.777 1.00 1.00 H new ATOM 0 HA LEU B 12 12.404 2.987 -8.617 1.00 1.00 H new ATOM 0 HB2 LEU B 12 14.146 0.508 -8.817 1.00 1.00 H new ATOM 0 HB3 LEU B 12 14.419 2.052 -9.601 1.00 1.00 H new ATOM 0 HG LEU B 12 14.391 1.671 -6.593 1.00 1.00 H new ATOM 0 HD11 LEU B 12 16.845 1.815 -6.712 1.00 1.00 H new ATOM 0 HD12 LEU B 12 16.220 0.385 -7.569 1.00 1.00 H new ATOM 0 HD13 LEU B 12 16.752 1.812 -8.490 1.00 1.00 H new ATOM 0 HD21 LEU B 12 15.508 3.870 -6.571 1.00 1.00 H new ATOM 0 HD22 LEU B 12 15.352 3.959 -8.342 1.00 1.00 H new ATOM 0 HD23 LEU B 12 13.895 3.953 -7.319 1.00 1.00 H new ATOM 785 N PRO B 13 11.474 -0.003 -9.813 1.00 1.00 N ATOM 786 CA PRO B 13 10.708 -0.615 -10.912 1.00 1.00 C ATOM 787 C PRO B 13 9.285 -0.059 -11.020 1.00 1.00 C ATOM 788 O PRO B 13 8.708 -0.006 -12.109 1.00 1.00 O ATOM 789 CB PRO B 13 10.666 -2.103 -10.549 1.00 1.00 C ATOM 790 CG PRO B 13 11.791 -2.302 -9.597 1.00 1.00 C ATOM 791 CD PRO B 13 11.906 -1.018 -8.832 1.00 1.00 C ATOM 0 HA PRO B 13 11.170 -0.411 -11.878 1.00 1.00 H new ATOM 0 HB2 PRO B 13 9.712 -2.371 -10.094 1.00 1.00 H new ATOM 0 HB3 PRO B 13 10.783 -2.728 -11.434 1.00 1.00 H new ATOM 0 HG2 PRO B 13 11.595 -3.140 -8.928 1.00 1.00 H new ATOM 0 HG3 PRO B 13 12.717 -2.527 -10.126 1.00 1.00 H new ATOM 0 HD2 PRO B 13 11.271 -1.018 -7.946 1.00 1.00 H new ATOM 0 HD3 PRO B 13 12.927 -0.841 -8.492 1.00 1.00 H new ATOM 799 N CYS B 14 8.719 0.339 -9.886 1.00 1.00 N ATOM 800 CA CYS B 14 7.378 0.896 -9.859 1.00 1.00 C ATOM 801 C CYS B 14 7.408 2.378 -10.225 1.00 1.00 C ATOM 802 O CYS B 14 6.664 2.830 -11.094 1.00 1.00 O ATOM 803 CB CYS B 14 6.769 0.717 -8.469 1.00 1.00 C ATOM 804 SG CYS B 14 7.029 -0.935 -7.748 1.00 1.00 S ATOM 0 H CYS B 14 9.172 0.285 -8.974 1.00 1.00 H new ATOM 0 HA CYS B 14 6.766 0.368 -10.591 1.00 1.00 H new ATOM 0 HB2 CYS B 14 7.194 1.465 -7.799 1.00 1.00 H new ATOM 0 HB3 CYS B 14 5.698 0.912 -8.526 1.00 1.00 H new ATOM 809 N GLY B 15 8.270 3.127 -9.551 1.00 1.00 N ATOM 810 CA GLY B 15 8.383 4.549 -9.809 1.00 1.00 C ATOM 811 C GLY B 15 7.706 5.373 -8.735 1.00 1.00 C ATOM 812 O GLY B 15 7.999 6.558 -8.566 1.00 1.00 O ATOM 0 H GLY B 15 8.896 2.773 -8.827 1.00 1.00 H new ATOM 0 HA2 GLY B 15 9.436 4.825 -9.868 1.00 1.00 H new ATOM 0 HA3 GLY B 15 7.938 4.779 -10.777 1.00 1.00 H new ATOM 816 N ILE B 16 6.806 4.733 -8.000 1.00 1.00 N ATOM 817 CA ILE B 16 6.065 5.394 -6.934 1.00 1.00 C ATOM 818 C ILE B 16 6.956 5.633 -5.716 1.00 1.00 C ATOM 819 O ILE B 16 7.482 4.689 -5.120 1.00 1.00 O ATOM 820 CB ILE B 16 4.827 4.562 -6.507 1.00 1.00 C ATOM 821 CG1 ILE B 16 3.832 4.419 -7.662 1.00 1.00 C ATOM 822 CG2 ILE B 16 4.134 5.190 -5.309 1.00 1.00 C ATOM 823 CD1 ILE B 16 4.079 3.211 -8.537 1.00 1.00 C ATOM 0 H ILE B 16 6.570 3.748 -8.124 1.00 1.00 H new ATOM 0 HA ILE B 16 5.727 6.353 -7.326 1.00 1.00 H new ATOM 0 HB ILE B 16 5.184 3.571 -6.228 1.00 1.00 H new ATOM 0 HG12 ILE B 16 2.823 4.360 -7.254 1.00 1.00 H new ATOM 0 HG13 ILE B 16 3.874 5.317 -8.279 1.00 1.00 H new ATOM 0 HG21 ILE B 16 3.270 4.587 -5.031 1.00 1.00 H new ATOM 0 HG22 ILE B 16 4.829 5.237 -4.470 1.00 1.00 H new ATOM 0 HG23 ILE B 16 3.806 6.197 -5.565 1.00 1.00 H new ATOM 0 HD11 ILE B 16 3.334 3.179 -9.332 1.00 1.00 H new ATOM 0 HD12 ILE B 16 5.075 3.277 -8.976 1.00 1.00 H new ATOM 0 HD13 ILE B 16 4.007 2.305 -7.935 1.00 1.00 H new ATOM 835 N ALA B 17 7.133 6.897 -5.364 1.00 1.00 N ATOM 836 CA ALA B 17 7.944 7.268 -4.216 1.00 1.00 C ATOM 837 C ALA B 17 7.083 7.317 -2.961 1.00 1.00 C ATOM 838 O ALA B 17 6.261 8.219 -2.793 1.00 1.00 O ATOM 839 CB ALA B 17 8.626 8.606 -4.457 1.00 1.00 C ATOM 0 H ALA B 17 6.723 7.688 -5.861 1.00 1.00 H new ATOM 0 HA ALA B 17 8.719 6.514 -4.074 1.00 1.00 H new ATOM 0 HB1 ALA B 17 9.229 8.869 -3.588 1.00 1.00 H new ATOM 0 HB2 ALA B 17 9.267 8.534 -5.335 1.00 1.00 H new ATOM 0 HB3 ALA B 17 7.871 9.375 -4.621 1.00 1.00 H new ATOM 845 N PHE B 18 7.261 6.338 -2.090 1.00 1.00 N ATOM 846 CA PHE B 18 6.490 6.264 -0.861 1.00 1.00 C ATOM 847 C PHE B 18 7.097 7.145 0.224 1.00 1.00 C ATOM 848 O PHE B 18 8.300 7.414 0.227 1.00 1.00 O ATOM 849 CB PHE B 18 6.402 4.818 -0.372 1.00 1.00 C ATOM 850 CG PHE B 18 5.006 4.270 -0.386 1.00 1.00 C ATOM 851 CD1 PHE B 18 4.293 4.186 -1.569 1.00 1.00 C ATOM 852 CD2 PHE B 18 4.402 3.843 0.788 1.00 1.00 C ATOM 853 CE1 PHE B 18 3.007 3.685 -1.583 1.00 1.00 C ATOM 854 CE2 PHE B 18 3.117 3.342 0.779 1.00 1.00 C ATOM 855 CZ PHE B 18 2.417 3.262 -0.409 1.00 1.00 C ATOM 0 H PHE B 18 7.935 5.582 -2.212 1.00 1.00 H new ATOM 0 HA PHE B 18 5.485 6.629 -1.075 1.00 1.00 H new ATOM 0 HB2 PHE B 18 7.037 4.191 -0.998 1.00 1.00 H new ATOM 0 HB3 PHE B 18 6.797 4.760 0.642 1.00 1.00 H new ATOM 0 HD1 PHE B 18 4.748 4.516 -2.491 1.00 1.00 H new ATOM 0 HD2 PHE B 18 4.945 3.904 1.720 1.00 1.00 H new ATOM 0 HE1 PHE B 18 2.462 3.624 -2.513 1.00 1.00 H new ATOM 0 HE2 PHE B 18 2.659 3.013 1.700 1.00 1.00 H new ATOM 0 HZ PHE B 18 1.411 2.870 -0.419 1.00 1.00 H new ATOM 865 N SER B 19 6.250 7.596 1.134 1.00 1.00 N ATOM 866 CA SER B 19 6.675 8.443 2.234 1.00 1.00 C ATOM 867 C SER B 19 6.308 7.796 3.569 1.00 1.00 C ATOM 868 O SER B 19 6.888 8.110 4.609 1.00 1.00 O ATOM 869 CB SER B 19 6.022 9.819 2.103 1.00 1.00 C ATOM 870 OG SER B 19 6.004 10.230 0.746 1.00 1.00 O ATOM 0 H SER B 19 5.252 7.386 1.131 1.00 1.00 H new ATOM 0 HA SER B 19 7.758 8.563 2.200 1.00 1.00 H new ATOM 0 HB2 SER B 19 5.005 9.784 2.493 1.00 1.00 H new ATOM 0 HB3 SER B 19 6.569 10.547 2.703 1.00 1.00 H new ATOM 0 HG SER B 19 5.582 11.112 0.677 1.00 1.00 H new ATOM 876 N SER B 20 5.334 6.895 3.536 1.00 1.00 N ATOM 877 CA SER B 20 4.894 6.195 4.731 1.00 1.00 C ATOM 878 C SER B 20 5.321 4.729 4.683 1.00 1.00 C ATOM 879 O SER B 20 4.686 3.910 4.018 1.00 1.00 O ATOM 880 CB SER B 20 3.375 6.301 4.865 1.00 1.00 C ATOM 881 OG SER B 20 2.947 7.643 4.691 1.00 1.00 O ATOM 0 H SER B 20 4.832 6.632 2.688 1.00 1.00 H new ATOM 0 HA SER B 20 5.361 6.659 5.600 1.00 1.00 H new ATOM 0 HB2 SER B 20 2.894 5.662 4.124 1.00 1.00 H new ATOM 0 HB3 SER B 20 3.066 5.940 5.846 1.00 1.00 H new ATOM 0 HG SER B 20 2.513 7.737 3.817 1.00 1.00 H new ATOM 887 N PRO B 21 6.402 4.379 5.397 1.00 1.00 N ATOM 888 CA PRO B 21 6.922 3.007 5.429 1.00 1.00 C ATOM 889 C PRO B 21 5.971 2.028 6.114 1.00 1.00 C ATOM 890 O PRO B 21 6.127 0.813 5.998 1.00 1.00 O ATOM 891 CB PRO B 21 8.222 3.133 6.229 1.00 1.00 C ATOM 892 CG PRO B 21 8.052 4.364 7.048 1.00 1.00 C ATOM 893 CD PRO B 21 7.210 5.295 6.225 1.00 1.00 C ATOM 0 HA PRO B 21 7.058 2.609 4.424 1.00 1.00 H new ATOM 0 HB2 PRO B 21 8.384 2.259 6.859 1.00 1.00 H new ATOM 0 HB3 PRO B 21 9.086 3.214 5.569 1.00 1.00 H new ATOM 0 HG2 PRO B 21 7.568 4.137 7.998 1.00 1.00 H new ATOM 0 HG3 PRO B 21 9.017 4.814 7.281 1.00 1.00 H new ATOM 0 HD2 PRO B 21 6.583 5.930 6.851 1.00 1.00 H new ATOM 0 HD3 PRO B 21 7.823 5.956 5.612 1.00 1.00 H new ATOM 901 N SER B 22 4.986 2.565 6.824 1.00 1.00 N ATOM 902 CA SER B 22 4.009 1.753 7.536 1.00 1.00 C ATOM 903 C SER B 22 3.186 0.885 6.581 1.00 1.00 C ATOM 904 O SER B 22 2.758 -0.210 6.943 1.00 1.00 O ATOM 905 CB SER B 22 3.082 2.662 8.347 1.00 1.00 C ATOM 906 OG SER B 22 3.817 3.694 8.989 1.00 1.00 O ATOM 0 H SER B 22 4.843 3.570 6.922 1.00 1.00 H new ATOM 0 HA SER B 22 4.550 1.083 8.204 1.00 1.00 H new ATOM 0 HB2 SER B 22 2.330 3.100 7.690 1.00 1.00 H new ATOM 0 HB3 SER B 22 2.549 2.072 9.093 1.00 1.00 H new ATOM 0 HG SER B 22 3.204 4.263 9.500 1.00 1.00 H new ATOM 912 N THR B 23 2.983 1.358 5.359 1.00 1.00 N ATOM 913 CA THR B 23 2.195 0.613 4.390 1.00 1.00 C ATOM 914 C THR B 23 3.036 0.119 3.214 1.00 1.00 C ATOM 915 O THR B 23 2.490 -0.303 2.194 1.00 1.00 O ATOM 916 CB THR B 23 1.028 1.465 3.860 1.00 1.00 C ATOM 917 OG1 THR B 23 0.931 2.686 4.613 1.00 1.00 O ATOM 918 CG2 THR B 23 -0.281 0.695 3.962 1.00 1.00 C ATOM 0 H THR B 23 3.350 2.247 5.018 1.00 1.00 H new ATOM 0 HA THR B 23 1.803 -0.258 4.915 1.00 1.00 H new ATOM 0 HB THR B 23 1.217 1.700 2.813 1.00 1.00 H new ATOM 0 HG1 THR B 23 0.188 3.224 4.269 1.00 1.00 H new ATOM 0 HG21 THR B 23 -1.096 1.311 3.583 1.00 1.00 H new ATOM 0 HG22 THR B 23 -0.213 -0.219 3.372 1.00 1.00 H new ATOM 0 HG23 THR B 23 -0.473 0.440 5.004 1.00 1.00 H new ATOM 926 N LEU B 24 4.358 0.140 3.365 1.00 1.00 N ATOM 927 CA LEU B 24 5.255 -0.316 2.301 1.00 1.00 C ATOM 928 C LEU B 24 4.948 -1.757 1.916 1.00 1.00 C ATOM 929 O LEU B 24 4.910 -2.102 0.735 1.00 1.00 O ATOM 930 CB LEU B 24 6.716 -0.202 2.743 1.00 1.00 C ATOM 931 CG LEU B 24 7.410 1.113 2.383 1.00 1.00 C ATOM 932 CD1 LEU B 24 8.845 1.112 2.888 1.00 1.00 C ATOM 933 CD2 LEU B 24 7.374 1.339 0.879 1.00 1.00 C ATOM 0 H LEU B 24 4.832 0.465 4.208 1.00 1.00 H new ATOM 0 HA LEU B 24 5.095 0.323 1.432 1.00 1.00 H new ATOM 0 HB2 LEU B 24 6.762 -0.333 3.824 1.00 1.00 H new ATOM 0 HB3 LEU B 24 7.278 -1.023 2.298 1.00 1.00 H new ATOM 0 HG LEU B 24 6.875 1.930 2.867 1.00 1.00 H new ATOM 0 HD11 LEU B 24 9.324 2.055 2.624 1.00 1.00 H new ATOM 0 HD12 LEU B 24 8.849 0.994 3.972 1.00 1.00 H new ATOM 0 HD13 LEU B 24 9.391 0.287 2.431 1.00 1.00 H new ATOM 0 HD21 LEU B 24 7.872 2.279 0.640 1.00 1.00 H new ATOM 0 HD22 LEU B 24 7.886 0.519 0.375 1.00 1.00 H new ATOM 0 HD23 LEU B 24 6.338 1.381 0.542 1.00 1.00 H new ATOM 945 N GLU B 25 4.706 -2.583 2.926 1.00 1.00 N ATOM 946 CA GLU B 25 4.395 -3.994 2.727 1.00 1.00 C ATOM 947 C GLU B 25 3.179 -4.182 1.816 1.00 1.00 C ATOM 948 O GLU B 25 3.157 -5.082 0.980 1.00 1.00 O ATOM 949 CB GLU B 25 4.158 -4.658 4.086 1.00 1.00 C ATOM 950 CG GLU B 25 3.810 -6.136 4.009 1.00 1.00 C ATOM 951 CD GLU B 25 2.317 -6.387 4.109 1.00 1.00 C ATOM 952 OE1 GLU B 25 1.670 -5.791 4.997 1.00 1.00 O ATOM 953 OE2 GLU B 25 1.788 -7.176 3.300 1.00 1.00 O ATOM 0 H GLU B 25 4.720 -2.295 3.904 1.00 1.00 H new ATOM 0 HA GLU B 25 5.243 -4.468 2.232 1.00 1.00 H new ATOM 0 HB2 GLU B 25 5.053 -4.539 4.696 1.00 1.00 H new ATOM 0 HB3 GLU B 25 3.351 -4.133 4.598 1.00 1.00 H new ATOM 0 HG2 GLU B 25 4.182 -6.545 3.070 1.00 1.00 H new ATOM 0 HG3 GLU B 25 4.319 -6.668 4.812 1.00 1.00 H new ATOM 960 N ALA B 26 2.185 -3.312 1.965 1.00 1.00 N ATOM 961 CA ALA B 26 0.972 -3.386 1.157 1.00 1.00 C ATOM 962 C ALA B 26 1.257 -3.013 -0.291 1.00 1.00 C ATOM 963 O ALA B 26 0.707 -3.613 -1.214 1.00 1.00 O ATOM 964 CB ALA B 26 -0.103 -2.488 1.740 1.00 1.00 C ATOM 0 H ALA B 26 2.196 -2.546 2.639 1.00 1.00 H new ATOM 0 HA ALA B 26 0.613 -4.415 1.172 1.00 1.00 H new ATOM 0 HB1 ALA B 26 -1.002 -2.553 1.128 1.00 1.00 H new ATOM 0 HB2 ALA B 26 -0.332 -2.808 2.757 1.00 1.00 H new ATOM 0 HB3 ALA B 26 0.252 -1.458 1.755 1.00 1.00 H new ATOM 970 N HIS B 27 2.118 -2.023 -0.485 1.00 1.00 N ATOM 971 CA HIS B 27 2.485 -1.586 -1.824 1.00 1.00 C ATOM 972 C HIS B 27 3.219 -2.716 -2.538 1.00 1.00 C ATOM 973 O HIS B 27 2.980 -2.990 -3.715 1.00 1.00 O ATOM 974 CB HIS B 27 3.362 -0.322 -1.746 1.00 1.00 C ATOM 975 CG HIS B 27 3.950 0.111 -3.058 1.00 1.00 C ATOM 976 ND1 HIS B 27 3.467 1.156 -3.818 1.00 1.00 N ATOM 977 CD2 HIS B 27 5.017 -0.381 -3.735 1.00 1.00 C ATOM 978 CE1 HIS B 27 4.241 1.258 -4.911 1.00 1.00 C ATOM 979 NE2 HIS B 27 5.194 0.342 -4.906 1.00 1.00 N ATOM 0 H HIS B 27 2.575 -1.508 0.268 1.00 1.00 H new ATOM 0 HA HIS B 27 1.587 -1.338 -2.389 1.00 1.00 H new ATOM 0 HB2 HIS B 27 2.764 0.495 -1.343 1.00 1.00 H new ATOM 0 HB3 HIS B 27 4.173 -0.501 -1.040 1.00 1.00 H new ATOM 0 HD1 HIS B 27 2.666 1.745 -3.591 1.00 1.00 H new ATOM 0 HD2 HIS B 27 5.633 -1.207 -3.413 1.00 1.00 H new ATOM 0 HE1 HIS B 27 4.103 1.992 -5.691 1.00 1.00 H new ATOM 987 N GLN B 28 4.084 -3.394 -1.791 1.00 1.00 N ATOM 988 CA GLN B 28 4.871 -4.503 -2.319 1.00 1.00 C ATOM 989 C GLN B 28 4.032 -5.771 -2.456 1.00 1.00 C ATOM 990 O GLN B 28 4.557 -6.838 -2.762 1.00 1.00 O ATOM 991 CB GLN B 28 6.061 -4.783 -1.401 1.00 1.00 C ATOM 992 CG GLN B 28 6.992 -3.599 -1.238 1.00 1.00 C ATOM 993 CD GLN B 28 8.387 -3.889 -1.742 1.00 1.00 C ATOM 994 OE1 GLN B 28 9.255 -4.331 -0.986 1.00 1.00 O ATOM 995 NE2 GLN B 28 8.608 -3.654 -3.023 1.00 1.00 N ATOM 0 H GLN B 28 4.259 -3.192 -0.807 1.00 1.00 H new ATOM 0 HA GLN B 28 5.224 -4.215 -3.309 1.00 1.00 H new ATOM 0 HB2 GLN B 28 5.690 -5.081 -0.420 1.00 1.00 H new ATOM 0 HB3 GLN B 28 6.625 -5.627 -1.798 1.00 1.00 H new ATOM 0 HG2 GLN B 28 6.585 -2.743 -1.776 1.00 1.00 H new ATOM 0 HG3 GLN B 28 7.040 -3.320 -0.185 1.00 1.00 H new ATOM 0 HE21 GLN B 28 7.859 -3.288 -3.611 1.00 1.00 H new ATOM 0 HE22 GLN B 28 9.527 -3.839 -3.424 1.00 1.00 H new ATOM 1004 N ALA B 29 2.736 -5.657 -2.197 1.00 1.00 N ATOM 1005 CA ALA B 29 1.834 -6.795 -2.295 1.00 1.00 C ATOM 1006 C ALA B 29 0.821 -6.588 -3.411 1.00 1.00 C ATOM 1007 O ALA B 29 -0.016 -7.453 -3.668 1.00 1.00 O ATOM 1008 CB ALA B 29 1.117 -7.023 -0.970 1.00 1.00 C ATOM 0 H ALA B 29 2.286 -4.786 -1.917 1.00 1.00 H new ATOM 0 HA ALA B 29 2.428 -7.678 -2.529 1.00 1.00 H new ATOM 0 HB1 ALA B 29 0.447 -7.878 -1.061 1.00 1.00 H new ATOM 0 HB2 ALA B 29 1.851 -7.219 -0.188 1.00 1.00 H new ATOM 0 HB3 ALA B 29 0.540 -6.135 -0.711 1.00 1.00 H new ATOM 1014 N TYR B 30 0.901 -5.443 -4.075 1.00 1.00 N ATOM 1015 CA TYR B 30 -0.024 -5.132 -5.156 1.00 1.00 C ATOM 1016 C TYR B 30 0.709 -4.579 -6.372 1.00 1.00 C ATOM 1017 O TYR B 30 0.448 -4.993 -7.505 1.00 1.00 O ATOM 1018 CB TYR B 30 -1.078 -4.129 -4.683 1.00 1.00 C ATOM 1019 CG TYR B 30 -2.161 -4.742 -3.824 1.00 1.00 C ATOM 1020 CD1 TYR B 30 -3.284 -5.322 -4.400 1.00 1.00 C ATOM 1021 CD2 TYR B 30 -2.064 -4.735 -2.439 1.00 1.00 C ATOM 1022 CE1 TYR B 30 -4.279 -5.874 -3.620 1.00 1.00 C ATOM 1023 CE2 TYR B 30 -3.055 -5.287 -1.652 1.00 1.00 C ATOM 1024 CZ TYR B 30 -4.161 -5.855 -2.248 1.00 1.00 C ATOM 1025 OH TYR B 30 -5.155 -6.400 -1.470 1.00 1.00 O ATOM 0 H TYR B 30 1.593 -4.718 -3.886 1.00 1.00 H new ATOM 0 HA TYR B 30 -0.516 -6.060 -5.448 1.00 1.00 H new ATOM 0 HB2 TYR B 30 -0.585 -3.337 -4.120 1.00 1.00 H new ATOM 0 HB3 TYR B 30 -1.538 -3.662 -5.554 1.00 1.00 H new ATOM 0 HD1 TYR B 30 -3.380 -5.341 -5.476 1.00 1.00 H new ATOM 0 HD2 TYR B 30 -1.199 -4.290 -1.969 1.00 1.00 H new ATOM 0 HE1 TYR B 30 -5.147 -6.319 -4.083 1.00 1.00 H new ATOM 0 HE2 TYR B 30 -2.964 -5.274 -0.576 1.00 1.00 H new ATOM 0 HH TYR B 30 -5.956 -5.837 -1.521 1.00 1.00 H new ATOM 1035 N TYR B 31 1.617 -3.641 -6.137 1.00 1.00 N ATOM 1036 CA TYR B 31 2.380 -3.036 -7.216 1.00 1.00 C ATOM 1037 C TYR B 31 3.572 -3.912 -7.577 1.00 1.00 C ATOM 1038 O TYR B 31 3.661 -4.420 -8.696 1.00 1.00 O ATOM 1039 CB TYR B 31 2.854 -1.636 -6.821 1.00 1.00 C ATOM 1040 CG TYR B 31 2.059 -0.522 -7.462 1.00 1.00 C ATOM 1041 CD1 TYR B 31 2.069 -0.340 -8.840 1.00 1.00 C ATOM 1042 CD2 TYR B 31 1.299 0.347 -6.691 1.00 1.00 C ATOM 1043 CE1 TYR B 31 1.348 0.681 -9.430 1.00 1.00 C ATOM 1044 CE2 TYR B 31 0.575 1.370 -7.273 1.00 1.00 C ATOM 1045 CZ TYR B 31 0.600 1.533 -8.643 1.00 1.00 C ATOM 1046 OH TYR B 31 -0.118 2.553 -9.226 1.00 1.00 O ATOM 0 H TYR B 31 1.842 -3.284 -5.208 1.00 1.00 H new ATOM 0 HA TYR B 31 1.732 -2.949 -8.088 1.00 1.00 H new ATOM 0 HB2 TYR B 31 2.796 -1.535 -5.737 1.00 1.00 H new ATOM 0 HB3 TYR B 31 3.903 -1.526 -7.096 1.00 1.00 H new ATOM 0 HD1 TYR B 31 2.650 -1.007 -9.460 1.00 1.00 H new ATOM 0 HD2 TYR B 31 1.273 0.221 -5.619 1.00 1.00 H new ATOM 0 HE1 TYR B 31 1.370 0.811 -10.502 1.00 1.00 H new ATOM 0 HE2 TYR B 31 -0.008 2.039 -6.658 1.00 1.00 H new ATOM 0 HH TYR B 31 -0.331 3.231 -8.551 1.00 1.00 H new ATOM 1056 N CYS B 32 4.486 -4.084 -6.631 1.00 1.00 N ATOM 1057 CA CYS B 32 5.661 -4.907 -6.847 1.00 1.00 C ATOM 1058 C CYS B 32 5.332 -6.382 -6.606 1.00 1.00 C ATOM 1059 O CYS B 32 5.820 -6.987 -5.650 1.00 1.00 O ATOM 1060 CB CYS B 32 6.788 -4.443 -5.922 1.00 1.00 C ATOM 1061 SG CYS B 32 6.402 -2.915 -5.003 1.00 1.00 S ATOM 0 H CYS B 32 4.433 -3.661 -5.704 1.00 1.00 H new ATOM 0 HA CYS B 32 5.988 -4.801 -7.881 1.00 1.00 H new ATOM 0 HB2 CYS B 32 7.012 -5.238 -5.210 1.00 1.00 H new ATOM 0 HB3 CYS B 32 7.689 -4.282 -6.514 1.00 1.00 H new ATOM 1066 N SER B 33 4.482 -6.930 -7.485 1.00 1.00 N ATOM 1067 CA SER B 33 4.041 -8.331 -7.426 1.00 1.00 C ATOM 1068 C SER B 33 2.986 -8.544 -6.334 1.00 1.00 C ATOM 1069 O SER B 33 3.080 -7.992 -5.238 1.00 1.00 O ATOM 1070 CB SER B 33 5.230 -9.275 -7.223 1.00 1.00 C ATOM 1071 OG SER B 33 6.272 -8.975 -8.138 1.00 1.00 O ATOM 0 H SER B 33 4.078 -6.409 -8.263 1.00 1.00 H new ATOM 0 HA SER B 33 3.579 -8.567 -8.384 1.00 1.00 H new ATOM 0 HB2 SER B 33 5.600 -9.187 -6.202 1.00 1.00 H new ATOM 0 HB3 SER B 33 4.908 -10.308 -7.357 1.00 1.00 H new ATOM 0 HG SER B 33 7.023 -9.588 -7.991 1.00 1.00 H new ATOM 1077 N HIS B 34 1.979 -9.354 -6.645 1.00 1.00 N ATOM 1078 CA HIS B 34 0.896 -9.634 -5.707 1.00 1.00 C ATOM 1079 C HIS B 34 1.268 -10.793 -4.784 1.00 1.00 C ATOM 1080 O HIS B 34 0.715 -11.889 -4.888 1.00 1.00 O ATOM 1081 CB HIS B 34 -0.405 -9.946 -6.467 1.00 1.00 C ATOM 1082 CG HIS B 34 -1.646 -9.933 -5.613 1.00 1.00 C ATOM 1083 ND1 HIS B 34 -2.915 -10.057 -6.137 1.00 1.00 N ATOM 1084 CD2 HIS B 34 -1.812 -9.815 -4.271 1.00 1.00 C ATOM 1085 CE1 HIS B 34 -3.802 -10.015 -5.161 1.00 1.00 C ATOM 1086 NE2 HIS B 34 -3.160 -9.868 -4.021 1.00 1.00 N ATOM 0 H HIS B 34 1.890 -9.830 -7.543 1.00 1.00 H new ATOM 0 HA HIS B 34 0.735 -8.747 -5.094 1.00 1.00 H new ATOM 0 HB2 HIS B 34 -0.525 -9.219 -7.271 1.00 1.00 H new ATOM 0 HB3 HIS B 34 -0.311 -10.926 -6.935 1.00 1.00 H new ATOM 0 HD2 HIS B 34 -1.029 -9.701 -3.536 1.00 1.00 H new ATOM 0 HE1 HIS B 34 -4.873 -10.089 -5.278 1.00 1.00 H new ATOM 0 HE2 HIS B 34 -3.595 -9.804 -3.100 1.00 1.00 H new ATOM 1095 N ARG B 35 2.218 -10.550 -3.895 1.00 1.00 N ATOM 1096 CA ARG B 35 2.642 -11.565 -2.944 1.00 1.00 C ATOM 1097 C ARG B 35 1.789 -11.484 -1.682 1.00 1.00 C ATOM 1098 O ARG B 35 1.134 -10.472 -1.432 1.00 1.00 O ATOM 1099 CB ARG B 35 4.128 -11.413 -2.599 1.00 1.00 C ATOM 1100 CG ARG B 35 4.582 -9.971 -2.431 1.00 1.00 C ATOM 1101 CD ARG B 35 5.267 -9.747 -1.091 1.00 1.00 C ATOM 1102 NE ARG B 35 4.326 -9.814 0.027 1.00 1.00 N ATOM 1103 CZ ARG B 35 3.837 -8.748 0.661 1.00 1.00 C ATOM 1104 NH1 ARG B 35 4.197 -7.528 0.290 1.00 1.00 N ATOM 1105 NH2 ARG B 35 2.980 -8.910 1.661 1.00 1.00 N ATOM 0 H ARG B 35 2.709 -9.660 -3.812 1.00 1.00 H new ATOM 0 HA ARG B 35 2.506 -12.544 -3.403 1.00 1.00 H new ATOM 0 HB2 ARG B 35 4.333 -11.957 -1.677 1.00 1.00 H new ATOM 0 HB3 ARG B 35 4.722 -11.881 -3.384 1.00 1.00 H new ATOM 0 HG2 ARG B 35 5.267 -9.709 -3.238 1.00 1.00 H new ATOM 0 HG3 ARG B 35 3.722 -9.307 -2.515 1.00 1.00 H new ATOM 0 HD2 ARG B 35 6.047 -10.496 -0.953 1.00 1.00 H new ATOM 0 HD3 ARG B 35 5.757 -8.774 -1.093 1.00 1.00 H new ATOM 0 HE ARG B 35 4.024 -10.736 0.342 1.00 1.00 H new ATOM 0 HH11 ARG B 35 4.850 -7.402 -0.483 1.00 1.00 H new ATOM 0 HH12 ARG B 35 3.821 -6.715 0.777 1.00 1.00 H new ATOM 0 HH21 ARG B 35 2.697 -9.848 1.943 1.00 1.00 H new ATOM 0 HH22 ARG B 35 2.604 -8.096 2.148 1.00 1.00 H new ATOM 1119 N ILE B 36 1.788 -12.552 -0.901 1.00 1.00 N ATOM 1120 CA ILE B 36 1.014 -12.592 0.330 1.00 1.00 C ATOM 1121 C ILE B 36 1.744 -11.864 1.454 1.00 1.00 C ATOM 1122 O ILE B 36 1.071 -11.373 2.383 1.00 1.00 O ATOM 1123 CB ILE B 36 0.714 -14.042 0.763 1.00 1.00 C ATOM 1124 CG1 ILE B 36 1.999 -14.881 0.766 1.00 1.00 C ATOM 1125 CG2 ILE B 36 -0.339 -14.659 -0.150 1.00 1.00 C ATOM 1126 CD1 ILE B 36 1.812 -16.278 1.323 1.00 1.00 C ATOM 1127 OXT ILE B 36 2.989 -11.768 1.393 1.00 1.00 O ATOM 0 H ILE B 36 2.315 -13.403 -1.097 1.00 1.00 H new ATOM 0 HA ILE B 36 0.068 -12.088 0.131 1.00 1.00 H new ATOM 0 HB ILE B 36 0.319 -14.029 1.779 1.00 1.00 H new ATOM 0 HG12 ILE B 36 2.378 -14.953 -0.254 1.00 1.00 H new ATOM 0 HG13 ILE B 36 2.759 -14.364 1.352 1.00 1.00 H new ATOM 0 HG21 ILE B 36 -0.541 -15.682 0.167 1.00 1.00 H new ATOM 0 HG22 ILE B 36 -1.257 -14.074 -0.094 1.00 1.00 H new ATOM 0 HG23 ILE B 36 0.027 -14.663 -1.177 1.00 1.00 H new ATOM 0 HD11 ILE B 36 2.762 -16.812 1.293 1.00 1.00 H new ATOM 0 HD12 ILE B 36 1.463 -16.215 2.354 1.00 1.00 H new ATOM 0 HD13 ILE B 36 1.076 -16.813 0.723 1.00 1.00 H new TER 1139 ILE B 36 HETATM 1140 ZN ZN A 244 -5.952 3.605 -3.896 1.00 1.00 ZN HETATM 1141 ZN ZN B 37 6.727 -0.658 -5.501 1.00 1.00 ZN