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 235 ASN : amide:sc= 0.152 K(o=0.54,f=-0.37) USER MOD Set 1.2: A 237 GLN : amide:sc= 0.384 K(o=0.54,f=-0.37) USER MOD Set 2.1: A 232 HIS : +bothHN:sc= -3.52! C(o=-2.9!,f=-12!) USER MOD Set 2.2: A 238 ASN : amide:sc= 0.612 X(o=-2.9,f=-3) USER MOD Set 2.3: B 30 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 226 ASN : amide:sc= 0.965 K(o=2.1,f=-6!) USER MOD Set 3.2: A 233 LYS NZ :NH3+ -156:sc= 1.18 (180deg=0) USER MOD Single : A 206 ASN :FLIP amide:sc= -1.68 F(o=-6.3!,f=-1.7) USER MOD Single : A 210 THR OG1 : rot -43:sc= 1.7 USER MOD Single : A 212 THR OG1 : rot -119:sc= 1.23 USER MOD Single : A 220 THR OG1 : rot 88:sc= 1.27 USER MOD Single : A 222 HIS : no HE2:sc= -2.08 X(o=-2.1,f=-1.8) USER MOD Single : A 223 TYR OH : rot 180:sc= 0 USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -112:sc= 0.108 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 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 109:sc= 1.61 USER MOD Single : B 22 SER OG : rot 180:sc= -0.115 USER MOD Single : B 23 THR OG1 : rot 114:sc= 0.322 USER MOD Single : B 28 GLN : amide:sc= 0.971 K(o=0.97,f=-0.82) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 34 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 200 -2.263 16.471 -0.003 1.00 1.00 N ATOM 2 CA GLU A 200 -1.979 15.020 0.086 1.00 1.00 C ATOM 3 C GLU A 200 -2.313 14.503 1.481 1.00 1.00 C ATOM 4 O GLU A 200 -1.867 15.064 2.480 1.00 1.00 O ATOM 5 CB GLU A 200 -0.505 14.740 -0.236 1.00 1.00 C ATOM 6 CG GLU A 200 -0.187 14.730 -1.727 1.00 1.00 C ATOM 7 CD GLU A 200 -0.671 15.976 -2.437 1.00 1.00 C ATOM 8 OE1 GLU A 200 -0.201 17.080 -2.098 1.00 1.00 O ATOM 9 OE2 GLU A 200 -1.544 15.862 -3.315 1.00 1.00 O ATOM 0 HA GLU A 200 -2.601 14.502 -0.644 1.00 1.00 H new ATOM 0 HB2 GLU A 200 0.112 15.494 0.252 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -0.227 13.776 0.191 1.00 1.00 H new ATOM 0 HG2 GLU A 200 0.890 14.634 -1.864 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -0.646 13.854 -2.186 1.00 1.00 H new ATOM 16 N ALA A 201 -3.102 13.441 1.552 1.00 1.00 N ATOM 17 CA ALA A 201 -3.487 12.870 2.833 1.00 1.00 C ATOM 18 C ALA A 201 -2.603 11.684 3.196 1.00 1.00 C ATOM 19 O ALA A 201 -2.007 11.650 4.270 1.00 1.00 O ATOM 20 CB ALA A 201 -4.947 12.452 2.806 1.00 1.00 C ATOM 0 H ALA A 201 -3.487 12.959 0.740 1.00 1.00 H new ATOM 0 HA ALA A 201 -3.353 13.635 3.597 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -5.221 12.026 3.771 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -5.571 13.322 2.603 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -5.098 11.707 2.025 1.00 1.00 H new ATOM 26 N ARG A 202 -2.516 10.714 2.297 1.00 1.00 N ATOM 27 CA ARG A 202 -1.707 9.529 2.534 1.00 1.00 C ATOM 28 C ARG A 202 -1.306 8.894 1.208 1.00 1.00 C ATOM 29 O ARG A 202 -1.885 9.204 0.168 1.00 1.00 O ATOM 30 CB ARG A 202 -2.487 8.518 3.388 1.00 1.00 C ATOM 31 CG ARG A 202 -1.624 7.404 3.961 1.00 1.00 C ATOM 32 CD ARG A 202 -1.316 7.617 5.437 1.00 1.00 C ATOM 33 NE ARG A 202 -1.269 9.033 5.812 1.00 1.00 N ATOM 34 CZ ARG A 202 -0.293 9.582 6.537 1.00 1.00 C ATOM 35 NH1 ARG A 202 0.776 8.872 6.870 1.00 1.00 N ATOM 36 NH2 ARG A 202 -0.376 10.853 6.904 1.00 1.00 N ATOM 0 H ARG A 202 -2.996 10.725 1.397 1.00 1.00 H new ATOM 0 HA ARG A 202 -0.805 9.822 3.071 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -2.973 9.047 4.208 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -3.277 8.077 2.781 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -2.133 6.449 3.832 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -0.690 7.345 3.401 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -2.073 7.112 6.037 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -0.359 7.152 5.674 1.00 1.00 H new ATOM 0 HE ARG A 202 -2.030 9.636 5.499 1.00 1.00 H new ATOM 0 HH11 ARG A 202 0.856 7.900 6.572 1.00 1.00 H new ATOM 0 HH12 ARG A 202 1.519 9.298 7.425 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -1.186 11.411 6.632 1.00 1.00 H new ATOM 0 HH22 ARG A 202 0.370 11.274 7.458 1.00 1.00 H new ATOM 50 N GLU A 203 -0.309 8.026 1.253 1.00 1.00 N ATOM 51 CA GLU A 203 0.168 7.338 0.065 1.00 1.00 C ATOM 52 C GLU A 203 -0.384 5.916 0.017 1.00 1.00 C ATOM 53 O GLU A 203 -0.226 5.150 0.967 1.00 1.00 O ATOM 54 CB GLU A 203 1.705 7.296 0.032 1.00 1.00 C ATOM 55 CG GLU A 203 2.387 8.093 1.137 1.00 1.00 C ATOM 56 CD GLU A 203 2.387 7.375 2.475 1.00 1.00 C ATOM 57 OE1 GLU A 203 3.289 6.545 2.709 1.00 1.00 O ATOM 58 OE2 GLU A 203 1.495 7.651 3.302 1.00 1.00 O ATOM 0 H GLU A 203 0.190 7.780 2.108 1.00 1.00 H new ATOM 0 HA GLU A 203 -0.184 7.891 -0.806 1.00 1.00 H new ATOM 0 HB2 GLU A 203 2.028 6.257 0.099 1.00 1.00 H new ATOM 0 HB3 GLU A 203 2.045 7.674 -0.932 1.00 1.00 H new ATOM 0 HG2 GLU A 203 3.416 8.303 0.844 1.00 1.00 H new ATOM 0 HG3 GLU A 203 1.885 9.054 1.247 1.00 1.00 H new ATOM 65 N CYS A 204 -1.047 5.579 -1.084 1.00 1.00 N ATOM 66 CA CYS A 204 -1.606 4.249 -1.260 1.00 1.00 C ATOM 67 C CYS A 204 -0.491 3.255 -1.554 1.00 1.00 C ATOM 68 O CYS A 204 0.569 3.626 -2.063 1.00 1.00 O ATOM 69 CB CYS A 204 -2.640 4.250 -2.395 1.00 1.00 C ATOM 70 SG CYS A 204 -3.265 2.602 -2.869 1.00 1.00 S ATOM 0 H CYS A 204 -1.209 6.212 -1.868 1.00 1.00 H new ATOM 0 HA CYS A 204 -2.109 3.951 -0.340 1.00 1.00 H new ATOM 0 HB2 CYS A 204 -3.485 4.870 -2.096 1.00 1.00 H new ATOM 0 HB3 CYS A 204 -2.194 4.719 -3.272 1.00 1.00 H new ATOM 75 N VAL A 205 -0.743 1.996 -1.241 1.00 1.00 N ATOM 76 CA VAL A 205 0.232 0.939 -1.461 1.00 1.00 C ATOM 77 C VAL A 205 0.305 0.571 -2.938 1.00 1.00 C ATOM 78 O VAL A 205 1.261 -0.060 -3.388 1.00 1.00 O ATOM 79 CB VAL A 205 -0.109 -0.329 -0.643 1.00 1.00 C ATOM 80 CG1 VAL A 205 -0.625 0.033 0.737 1.00 1.00 C ATOM 81 CG2 VAL A 205 -1.123 -1.206 -1.363 1.00 1.00 C ATOM 0 H VAL A 205 -1.621 1.678 -0.831 1.00 1.00 H new ATOM 0 HA VAL A 205 1.197 1.322 -1.130 1.00 1.00 H new ATOM 0 HB VAL A 205 0.816 -0.896 -0.534 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -0.857 -0.878 1.289 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.137 0.599 1.273 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -1.526 0.638 0.641 1.00 1.00 H new ATOM 0 HG21 VAL A 205 -1.337 -2.087 -0.758 1.00 1.00 H new ATOM 0 HG22 VAL A 205 -2.043 -0.643 -1.523 1.00 1.00 H new ATOM 0 HG23 VAL A 205 -0.716 -1.517 -2.325 1.00 1.00 H new ATOM 91 N ASN A 206 -0.706 0.972 -3.687 1.00 1.00 N ATOM 92 CA ASN A 206 -0.765 0.657 -5.100 1.00 1.00 C ATOM 93 C ASN A 206 -0.646 1.909 -5.960 1.00 1.00 C ATOM 94 O ASN A 206 0.454 2.269 -6.376 1.00 1.00 O ATOM 95 CB ASN A 206 -2.055 -0.091 -5.417 1.00 1.00 C ATOM 96 CG ASN A 206 -1.851 -1.591 -5.502 1.00 1.00 C ATOM 97 OD1 ASN A 206 -1.747 -2.252 -4.354 1.00 1.00 O flip ATOM 98 ND2 ASN A 206 -1.760 -2.157 -6.593 1.00 1.00 N flip ATOM 0 H ASN A 206 -1.496 1.516 -3.340 1.00 1.00 H new ATOM 0 HA ASN A 206 0.084 0.016 -5.337 1.00 1.00 H new ATOM 0 HB2 ASN A 206 -2.797 0.129 -4.649 1.00 1.00 H new ATOM 0 HB3 ASN A 206 -2.458 0.272 -6.362 1.00 1.00 H new ATOM 0 HD21 ASN A 206 -1.845 -1.619 -7.455 1.00 1.00 H new ATOM 0 HD22 ASN A 206 -1.600 -3.164 -6.634 1.00 1.00 H new ATOM 105 N CYS A 207 -1.772 2.571 -6.217 1.00 1.00 N ATOM 106 CA CYS A 207 -1.778 3.767 -7.049 1.00 1.00 C ATOM 107 C CYS A 207 -0.957 4.892 -6.420 1.00 1.00 C ATOM 108 O CYS A 207 -0.258 5.632 -7.116 1.00 1.00 O ATOM 109 CB CYS A 207 -3.220 4.235 -7.297 1.00 1.00 C ATOM 110 SG CYS A 207 -4.059 4.944 -5.839 1.00 1.00 S ATOM 0 H CYS A 207 -2.688 2.299 -5.861 1.00 1.00 H new ATOM 0 HA CYS A 207 -1.317 3.512 -8.003 1.00 1.00 H new ATOM 0 HB2 CYS A 207 -3.213 4.980 -8.092 1.00 1.00 H new ATOM 0 HB3 CYS A 207 -3.804 3.389 -7.658 1.00 1.00 H new ATOM 115 N GLY A 208 -1.047 5.013 -5.102 1.00 1.00 N ATOM 116 CA GLY A 208 -0.329 6.053 -4.398 1.00 1.00 C ATOM 117 C GLY A 208 -1.000 7.399 -4.563 1.00 1.00 C ATOM 118 O GLY A 208 -0.428 8.434 -4.228 1.00 1.00 O ATOM 0 H GLY A 208 -1.609 4.404 -4.506 1.00 1.00 H new ATOM 0 HA2 GLY A 208 -0.269 5.802 -3.339 1.00 1.00 H new ATOM 0 HA3 GLY A 208 0.694 6.107 -4.771 1.00 1.00 H new ATOM 122 N ALA A 209 -2.225 7.381 -5.073 1.00 1.00 N ATOM 123 CA ALA A 209 -2.978 8.601 -5.289 1.00 1.00 C ATOM 124 C ALA A 209 -3.775 8.978 -4.049 1.00 1.00 C ATOM 125 O ALA A 209 -4.377 8.125 -3.399 1.00 1.00 O ATOM 126 CB ALA A 209 -3.903 8.447 -6.483 1.00 1.00 C ATOM 0 H ALA A 209 -2.716 6.529 -5.344 1.00 1.00 H new ATOM 0 HA ALA A 209 -2.269 9.404 -5.494 1.00 1.00 H new ATOM 0 HB1 ALA A 209 -4.461 9.371 -6.632 1.00 1.00 H new ATOM 0 HB2 ALA A 209 -3.314 8.231 -7.374 1.00 1.00 H new ATOM 0 HB3 ALA A 209 -4.599 7.628 -6.301 1.00 1.00 H new ATOM 132 N THR A 210 -3.782 10.262 -3.738 1.00 1.00 N ATOM 133 CA THR A 210 -4.497 10.772 -2.578 1.00 1.00 C ATOM 134 C THR A 210 -5.795 11.451 -3.018 1.00 1.00 C ATOM 135 O THR A 210 -6.470 12.115 -2.229 1.00 1.00 O ATOM 136 CB THR A 210 -3.611 11.768 -1.793 1.00 1.00 C ATOM 137 OG1 THR A 210 -4.247 12.163 -0.572 1.00 1.00 O ATOM 138 CG2 THR A 210 -3.309 13.003 -2.630 1.00 1.00 C ATOM 0 H THR A 210 -3.296 10.978 -4.278 1.00 1.00 H new ATOM 0 HA THR A 210 -4.741 9.936 -1.923 1.00 1.00 H new ATOM 0 HB THR A 210 -2.675 11.261 -1.559 1.00 1.00 H new ATOM 0 HG1 THR A 210 -5.196 12.341 -0.740 1.00 1.00 H new ATOM 0 HG21 THR A 210 -2.685 13.688 -2.056 1.00 1.00 H new ATOM 0 HG22 THR A 210 -2.783 12.708 -3.538 1.00 1.00 H new ATOM 0 HG23 THR A 210 -4.242 13.499 -2.896 1.00 1.00 H new ATOM 146 N ALA A 211 -6.151 11.243 -4.282 1.00 1.00 N ATOM 147 CA ALA A 211 -7.348 11.839 -4.863 1.00 1.00 C ATOM 148 C ALA A 211 -8.619 11.082 -4.484 1.00 1.00 C ATOM 149 O ALA A 211 -9.710 11.427 -4.937 1.00 1.00 O ATOM 150 CB ALA A 211 -7.211 11.891 -6.376 1.00 1.00 C ATOM 0 H ALA A 211 -5.621 10.660 -4.929 1.00 1.00 H new ATOM 0 HA ALA A 211 -7.439 12.847 -4.459 1.00 1.00 H new ATOM 0 HB1 ALA A 211 -8.107 12.337 -6.807 1.00 1.00 H new ATOM 0 HB2 ALA A 211 -6.342 12.493 -6.642 1.00 1.00 H new ATOM 0 HB3 ALA A 211 -7.085 10.881 -6.765 1.00 1.00 H new ATOM 156 N THR A 212 -8.484 10.056 -3.660 1.00 1.00 N ATOM 157 CA THR A 212 -9.630 9.269 -3.241 1.00 1.00 C ATOM 158 C THR A 212 -10.445 10.016 -2.178 1.00 1.00 C ATOM 159 O THR A 212 -9.893 10.562 -1.221 1.00 1.00 O ATOM 160 CB THR A 212 -9.193 7.882 -2.710 1.00 1.00 C ATOM 161 OG1 THR A 212 -10.341 7.084 -2.390 1.00 1.00 O ATOM 162 CG2 THR A 212 -8.298 8.010 -1.484 1.00 1.00 C ATOM 0 H THR A 212 -7.593 9.750 -3.269 1.00 1.00 H new ATOM 0 HA THR A 212 -10.262 9.113 -4.115 1.00 1.00 H new ATOM 0 HB THR A 212 -8.622 7.394 -3.500 1.00 1.00 H new ATOM 0 HG1 THR A 212 -10.327 6.858 -1.437 1.00 1.00 H new ATOM 0 HG21 THR A 212 -8.010 7.017 -1.138 1.00 1.00 H new ATOM 0 HG22 THR A 212 -7.404 8.577 -1.744 1.00 1.00 H new ATOM 0 HG23 THR A 212 -8.838 8.528 -0.692 1.00 1.00 H new ATOM 170 N PRO A 213 -11.773 10.083 -2.353 1.00 1.00 N ATOM 171 CA PRO A 213 -12.661 10.758 -1.404 1.00 1.00 C ATOM 172 C PRO A 213 -12.997 9.880 -0.201 1.00 1.00 C ATOM 173 O PRO A 213 -13.665 10.317 0.739 1.00 1.00 O ATOM 174 CB PRO A 213 -13.909 11.030 -2.238 1.00 1.00 C ATOM 175 CG PRO A 213 -13.943 9.925 -3.241 1.00 1.00 C ATOM 176 CD PRO A 213 -12.510 9.537 -3.509 1.00 1.00 C ATOM 0 HA PRO A 213 -12.210 11.654 -0.979 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -14.806 11.031 -1.619 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -13.856 12.004 -2.724 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -14.509 9.075 -2.861 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -14.434 10.250 -4.158 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -12.396 8.455 -3.581 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -12.151 9.959 -4.448 1.00 1.00 H new ATOM 184 N LEU A 214 -12.533 8.640 -0.244 1.00 1.00 N ATOM 185 CA LEU A 214 -12.768 7.691 0.833 1.00 1.00 C ATOM 186 C LEU A 214 -11.509 6.868 1.082 1.00 1.00 C ATOM 187 O LEU A 214 -10.906 6.349 0.142 1.00 1.00 O ATOM 188 CB LEU A 214 -13.949 6.776 0.492 1.00 1.00 C ATOM 189 CG LEU A 214 -14.347 5.784 1.589 1.00 1.00 C ATOM 190 CD1 LEU A 214 -14.810 6.522 2.839 1.00 1.00 C ATOM 191 CD2 LEU A 214 -15.437 4.850 1.086 1.00 1.00 C ATOM 0 H LEU A 214 -11.987 8.266 -1.020 1.00 1.00 H new ATOM 0 HA LEU A 214 -13.014 8.241 1.741 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -14.813 7.398 0.257 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -13.704 6.216 -0.410 1.00 1.00 H new ATOM 0 HG LEU A 214 -13.472 5.188 1.850 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -15.088 5.799 3.606 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -14.002 7.152 3.210 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -15.672 7.143 2.596 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -15.710 4.150 1.876 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -16.312 5.433 0.799 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -15.071 4.296 0.221 1.00 1.00 H new ATOM 203 N TRP A 215 -11.106 6.766 2.340 1.00 1.00 N ATOM 204 CA TRP A 215 -9.910 6.018 2.703 1.00 1.00 C ATOM 205 C TRP A 215 -10.275 4.740 3.443 1.00 1.00 C ATOM 206 O TRP A 215 -11.337 4.648 4.064 1.00 1.00 O ATOM 207 CB TRP A 215 -8.992 6.874 3.578 1.00 1.00 C ATOM 208 CG TRP A 215 -8.393 8.034 2.852 1.00 1.00 C ATOM 209 CD1 TRP A 215 -8.874 9.308 2.809 1.00 1.00 C ATOM 210 CD2 TRP A 215 -7.208 8.022 2.054 1.00 1.00 C ATOM 211 NE1 TRP A 215 -8.055 10.093 2.038 1.00 1.00 N ATOM 212 CE2 TRP A 215 -7.023 9.327 1.564 1.00 1.00 C ATOM 213 CE3 TRP A 215 -6.281 7.037 1.713 1.00 1.00 C ATOM 214 CZ2 TRP A 215 -5.953 9.670 0.747 1.00 1.00 C ATOM 215 CZ3 TRP A 215 -5.219 7.377 0.901 1.00 1.00 C ATOM 216 CH2 TRP A 215 -5.059 8.684 0.428 1.00 1.00 C ATOM 0 H TRP A 215 -11.591 7.193 3.129 1.00 1.00 H new ATOM 0 HA TRP A 215 -9.386 5.754 1.784 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -9.558 7.243 4.433 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -8.191 6.249 3.972 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -9.769 9.650 3.309 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -8.192 11.086 1.848 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -6.393 6.027 2.078 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -5.831 10.677 0.377 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -4.498 6.621 0.626 1.00 1.00 H new ATOM 0 HH2 TRP A 215 -4.213 8.919 -0.201 1.00 1.00 H new ATOM 227 N ARG A 216 -9.392 3.757 3.379 1.00 1.00 N ATOM 228 CA ARG A 216 -9.615 2.489 4.047 1.00 1.00 C ATOM 229 C ARG A 216 -8.324 1.990 4.678 1.00 1.00 C ATOM 230 O ARG A 216 -7.237 2.474 4.360 1.00 1.00 O ATOM 231 CB ARG A 216 -10.163 1.452 3.062 1.00 1.00 C ATOM 232 CG ARG A 216 -11.291 0.610 3.637 1.00 1.00 C ATOM 233 CD ARG A 216 -12.356 1.483 4.287 1.00 1.00 C ATOM 234 NE ARG A 216 -13.602 0.755 4.513 1.00 1.00 N ATOM 235 CZ ARG A 216 -14.808 1.321 4.477 1.00 1.00 C ATOM 236 NH1 ARG A 216 -14.923 2.629 4.274 1.00 1.00 N ATOM 237 NH2 ARG A 216 -15.898 0.582 4.647 1.00 1.00 N ATOM 0 H ARG A 216 -8.511 3.815 2.868 1.00 1.00 H new ATOM 0 HA ARG A 216 -10.353 2.639 4.835 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -10.521 1.964 2.169 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -9.352 0.795 2.749 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -11.742 0.012 2.845 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -10.889 -0.086 4.373 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -11.982 1.863 5.237 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -12.552 2.348 3.653 1.00 1.00 H new ATOM 0 HE ARG A 216 -13.546 -0.244 4.710 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -14.088 3.201 4.146 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -15.846 3.062 4.247 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -15.814 -0.422 4.806 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -16.820 1.018 4.619 1.00 1.00 H new ATOM 251 N ARG A 217 -8.449 1.032 5.576 1.00 1.00 N ATOM 252 CA ARG A 217 -7.302 0.467 6.261 1.00 1.00 C ATOM 253 C ARG A 217 -7.531 -1.019 6.486 1.00 1.00 C ATOM 254 O ARG A 217 -8.628 -1.429 6.865 1.00 1.00 O ATOM 255 CB ARG A 217 -7.091 1.189 7.592 1.00 1.00 C ATOM 256 CG ARG A 217 -5.745 0.918 8.237 1.00 1.00 C ATOM 257 CD ARG A 217 -5.495 1.874 9.389 1.00 1.00 C ATOM 258 NE ARG A 217 -4.307 1.517 10.160 1.00 1.00 N ATOM 259 CZ ARG A 217 -4.340 1.115 11.428 1.00 1.00 C ATOM 260 NH1 ARG A 217 -5.498 0.998 12.060 1.00 1.00 N ATOM 261 NH2 ARG A 217 -3.211 0.836 12.064 1.00 1.00 N ATOM 0 H ARG A 217 -9.343 0.625 5.850 1.00 1.00 H new ATOM 0 HA ARG A 217 -6.407 0.596 5.652 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -7.195 2.262 7.432 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.880 0.892 8.283 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -5.710 -0.110 8.598 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -4.954 1.022 7.495 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -5.382 2.886 9.000 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -6.364 1.881 10.047 1.00 1.00 H new ATOM 0 HE ARG A 217 -3.399 1.579 9.700 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -6.368 1.216 11.575 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -5.520 0.690 13.032 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -2.317 0.930 11.581 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -3.236 0.528 13.036 1.00 1.00 H new ATOM 275 N ASP A 218 -6.512 -1.821 6.230 1.00 1.00 N ATOM 276 CA ASP A 218 -6.622 -3.264 6.400 1.00 1.00 C ATOM 277 C ASP A 218 -6.280 -3.675 7.836 1.00 1.00 C ATOM 278 O ASP A 218 -5.853 -2.842 8.635 1.00 1.00 O ATOM 279 CB ASP A 218 -5.724 -3.981 5.380 1.00 1.00 C ATOM 280 CG ASP A 218 -4.464 -4.568 5.983 1.00 1.00 C ATOM 281 OD1 ASP A 218 -3.543 -3.801 6.309 1.00 1.00 O ATOM 282 OD2 ASP A 218 -4.400 -5.804 6.134 1.00 1.00 O ATOM 0 H ASP A 218 -5.600 -1.501 5.904 1.00 1.00 H new ATOM 0 HA ASP A 218 -7.654 -3.563 6.217 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -6.295 -4.779 4.905 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -5.447 -3.277 4.595 1.00 1.00 H new ATOM 287 N ARG A 219 -6.474 -4.957 8.153 1.00 1.00 N ATOM 288 CA ARG A 219 -6.199 -5.484 9.492 1.00 1.00 C ATOM 289 C ARG A 219 -4.729 -5.317 9.870 1.00 1.00 C ATOM 290 O ARG A 219 -4.399 -5.055 11.028 1.00 1.00 O ATOM 291 CB ARG A 219 -6.582 -6.963 9.565 1.00 1.00 C ATOM 292 CG ARG A 219 -8.081 -7.202 9.626 1.00 1.00 C ATOM 293 CD ARG A 219 -8.684 -6.645 10.905 1.00 1.00 C ATOM 294 NE ARG A 219 -8.182 -7.329 12.093 1.00 1.00 N ATOM 295 CZ ARG A 219 -7.805 -6.708 13.208 1.00 1.00 C ATOM 296 NH1 ARG A 219 -7.902 -5.385 13.310 1.00 1.00 N ATOM 297 NH2 ARG A 219 -7.345 -7.415 14.227 1.00 1.00 N ATOM 0 H ARG A 219 -6.823 -5.654 7.495 1.00 1.00 H new ATOM 0 HA ARG A 219 -6.800 -4.914 10.201 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -6.176 -7.478 8.694 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -6.116 -7.407 10.444 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -8.560 -6.737 8.764 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -8.283 -8.271 9.564 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -8.459 -5.581 10.978 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -9.769 -6.739 10.865 1.00 1.00 H new ATOM 0 HE ARG A 219 -8.116 -8.347 12.067 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -8.268 -4.839 12.530 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -7.611 -4.917 14.168 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -7.281 -8.430 14.156 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -7.054 -6.945 15.084 1.00 1.00 H new ATOM 311 N THR A 220 -3.856 -5.474 8.890 1.00 1.00 N ATOM 312 CA THR A 220 -2.426 -5.343 9.106 1.00 1.00 C ATOM 313 C THR A 220 -2.062 -3.902 9.454 1.00 1.00 C ATOM 314 O THR A 220 -1.185 -3.651 10.282 1.00 1.00 O ATOM 315 CB THR A 220 -1.652 -5.780 7.850 1.00 1.00 C ATOM 316 OG1 THR A 220 -2.270 -6.949 7.288 1.00 1.00 O ATOM 317 CG2 THR A 220 -0.194 -6.070 8.169 1.00 1.00 C ATOM 0 H THR A 220 -4.116 -5.694 7.929 1.00 1.00 H new ATOM 0 HA THR A 220 -2.151 -5.988 9.940 1.00 1.00 H new ATOM 0 HB THR A 220 -1.681 -4.963 7.130 1.00 1.00 H new ATOM 0 HG1 THR A 220 -2.975 -6.678 6.664 1.00 1.00 H new ATOM 0 HG21 THR A 220 0.323 -6.376 7.260 1.00 1.00 H new ATOM 0 HG22 THR A 220 0.276 -5.172 8.570 1.00 1.00 H new ATOM 0 HG23 THR A 220 -0.135 -6.870 8.907 1.00 1.00 H new ATOM 325 N GLY A 221 -2.750 -2.965 8.829 1.00 1.00 N ATOM 326 CA GLY A 221 -2.492 -1.565 9.079 1.00 1.00 C ATOM 327 C GLY A 221 -2.077 -0.846 7.814 1.00 1.00 C ATOM 328 O GLY A 221 -1.516 0.247 7.861 1.00 1.00 O ATOM 0 H GLY A 221 -3.487 -3.149 8.149 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -3.386 -1.096 9.489 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -1.708 -1.466 9.830 1.00 1.00 H new ATOM 332 N HIS A 222 -2.344 -1.474 6.682 1.00 1.00 N ATOM 333 CA HIS A 222 -1.998 -0.906 5.390 1.00 1.00 C ATOM 334 C HIS A 222 -3.043 0.111 4.965 1.00 1.00 C ATOM 335 O HIS A 222 -4.237 -0.196 4.919 1.00 1.00 O ATOM 336 CB HIS A 222 -1.886 -2.004 4.323 1.00 1.00 C ATOM 337 CG HIS A 222 -0.881 -3.066 4.643 1.00 1.00 C ATOM 338 ND1 HIS A 222 -0.954 -4.350 4.144 1.00 1.00 N ATOM 339 CD2 HIS A 222 0.229 -3.029 5.411 1.00 1.00 C ATOM 340 CE1 HIS A 222 0.070 -5.049 4.594 1.00 1.00 C ATOM 341 NE2 HIS A 222 0.803 -4.271 5.367 1.00 1.00 N ATOM 0 H HIS A 222 -2.803 -2.384 6.632 1.00 1.00 H new ATOM 0 HA HIS A 222 -1.032 -0.411 5.487 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.863 -2.470 4.193 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.623 -1.545 3.370 1.00 1.00 H new ATOM 0 HD1 HIS A 222 -1.684 -4.703 3.525 1.00 1.00 H new ATOM 0 HD2 HIS A 222 0.597 -2.175 5.960 1.00 1.00 H new ATOM 0 HE1 HIS A 222 0.274 -6.085 4.367 1.00 1.00 H new ATOM 350 N TYR A 223 -2.593 1.321 4.672 1.00 1.00 N ATOM 351 CA TYR A 223 -3.484 2.381 4.234 1.00 1.00 C ATOM 352 C TYR A 223 -3.825 2.182 2.769 1.00 1.00 C ATOM 353 O TYR A 223 -2.937 2.068 1.928 1.00 1.00 O ATOM 354 CB TYR A 223 -2.840 3.750 4.447 1.00 1.00 C ATOM 355 CG TYR A 223 -2.639 4.102 5.905 1.00 1.00 C ATOM 356 CD1 TYR A 223 -3.648 4.719 6.634 1.00 1.00 C ATOM 357 CD2 TYR A 223 -1.441 3.818 6.552 1.00 1.00 C ATOM 358 CE1 TYR A 223 -3.470 5.042 7.965 1.00 1.00 C ATOM 359 CE2 TYR A 223 -1.256 4.138 7.884 1.00 1.00 C ATOM 360 CZ TYR A 223 -2.273 4.751 8.585 1.00 1.00 C ATOM 361 OH TYR A 223 -2.095 5.067 9.914 1.00 1.00 O ATOM 0 H TYR A 223 -1.612 1.593 4.730 1.00 1.00 H new ATOM 0 HA TYR A 223 -4.398 2.341 4.826 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -1.875 3.772 3.940 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -3.463 4.513 3.980 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -4.587 4.950 6.152 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -0.642 3.340 6.005 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -4.265 5.520 8.518 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -0.320 3.909 8.373 1.00 1.00 H new ATOM 0 HH TYR A 223 -1.197 4.795 10.198 1.00 1.00 H new ATOM 371 N LEU A 224 -5.106 2.127 2.471 1.00 1.00 N ATOM 372 CA LEU A 224 -5.555 1.921 1.108 1.00 1.00 C ATOM 373 C LEU A 224 -6.619 2.941 0.751 1.00 1.00 C ATOM 374 O LEU A 224 -7.198 3.579 1.635 1.00 1.00 O ATOM 375 CB LEU A 224 -6.121 0.507 0.949 1.00 1.00 C ATOM 376 CG LEU A 224 -5.232 -0.621 1.485 1.00 1.00 C ATOM 377 CD1 LEU A 224 -6.067 -1.852 1.800 1.00 1.00 C ATOM 378 CD2 LEU A 224 -4.133 -0.963 0.488 1.00 1.00 C ATOM 0 H LEU A 224 -5.857 2.222 3.155 1.00 1.00 H new ATOM 0 HA LEU A 224 -4.705 2.042 0.437 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -7.084 0.460 1.457 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -6.310 0.326 -0.109 1.00 1.00 H new ATOM 0 HG LEU A 224 -4.761 -0.276 2.406 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -5.420 -2.643 2.179 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -6.814 -1.602 2.553 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -6.566 -2.195 0.894 1.00 1.00 H new ATOM 0 HD21 LEU A 224 -3.515 -1.766 0.889 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -4.582 -1.286 -0.452 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -3.515 -0.083 0.311 1.00 1.00 H new ATOM 390 N CYS A 225 -6.871 3.099 -0.536 1.00 1.00 N ATOM 391 CA CYS A 225 -7.879 4.032 -0.994 1.00 1.00 C ATOM 392 C CYS A 225 -9.203 3.305 -1.199 1.00 1.00 C ATOM 393 O CYS A 225 -9.443 2.246 -0.615 1.00 1.00 O ATOM 394 CB CYS A 225 -7.434 4.704 -2.296 1.00 1.00 C ATOM 395 SG CYS A 225 -7.082 3.546 -3.655 1.00 1.00 S ATOM 0 H CYS A 225 -6.391 2.593 -1.280 1.00 1.00 H new ATOM 0 HA CYS A 225 -8.013 4.805 -0.237 1.00 1.00 H new ATOM 0 HB2 CYS A 225 -8.211 5.397 -2.617 1.00 1.00 H new ATOM 0 HB3 CYS A 225 -6.541 5.296 -2.098 1.00 1.00 H new ATOM 400 N ASN A 226 -10.051 3.872 -2.037 1.00 1.00 N ATOM 401 CA ASN A 226 -11.348 3.280 -2.328 1.00 1.00 C ATOM 402 C ASN A 226 -11.300 2.550 -3.667 1.00 1.00 C ATOM 403 O ASN A 226 -12.273 1.926 -4.091 1.00 1.00 O ATOM 404 CB ASN A 226 -12.427 4.368 -2.351 1.00 1.00 C ATOM 405 CG ASN A 226 -13.839 3.810 -2.295 1.00 1.00 C ATOM 406 OD1 ASN A 226 -14.105 2.794 -1.643 1.00 1.00 O ATOM 407 ND2 ASN A 226 -14.754 4.476 -2.983 1.00 1.00 N ATOM 0 H ASN A 226 -9.866 4.745 -2.531 1.00 1.00 H new ATOM 0 HA ASN A 226 -11.595 2.560 -1.547 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -12.275 5.040 -1.506 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -12.314 4.964 -3.257 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -15.722 4.155 -2.988 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -14.491 5.310 -3.508 1.00 1.00 H new ATOM 414 N ALA A 227 -10.151 2.625 -4.327 1.00 1.00 N ATOM 415 CA ALA A 227 -9.970 1.980 -5.620 1.00 1.00 C ATOM 416 C ALA A 227 -9.052 0.771 -5.502 1.00 1.00 C ATOM 417 O ALA A 227 -9.402 -0.332 -5.928 1.00 1.00 O ATOM 418 CB ALA A 227 -9.428 2.972 -6.638 1.00 1.00 C ATOM 0 H ALA A 227 -9.330 3.127 -3.987 1.00 1.00 H new ATOM 0 HA ALA A 227 -10.943 1.629 -5.965 1.00 1.00 H new ATOM 0 HB1 ALA A 227 -9.299 2.473 -7.599 1.00 1.00 H new ATOM 0 HB2 ALA A 227 -10.130 3.799 -6.750 1.00 1.00 H new ATOM 0 HB3 ALA A 227 -8.467 3.356 -6.296 1.00 1.00 H new ATOM 424 N CYS A 228 -7.879 0.976 -4.921 1.00 1.00 N ATOM 425 CA CYS A 228 -6.920 -0.103 -4.741 1.00 1.00 C ATOM 426 C CYS A 228 -7.315 -0.975 -3.554 1.00 1.00 C ATOM 427 O CYS A 228 -7.100 -2.187 -3.552 1.00 1.00 O ATOM 428 CB CYS A 228 -5.522 0.473 -4.522 1.00 1.00 C ATOM 429 SG CYS A 228 -5.089 1.829 -5.660 1.00 1.00 S ATOM 0 H CYS A 228 -7.569 1.880 -4.566 1.00 1.00 H new ATOM 0 HA CYS A 228 -6.916 -0.719 -5.640 1.00 1.00 H new ATOM 0 HB2 CYS A 228 -5.447 0.835 -3.497 1.00 1.00 H new ATOM 0 HB3 CYS A 228 -4.790 -0.327 -4.632 1.00 1.00 H new ATOM 434 N GLY A 229 -7.908 -0.345 -2.551 1.00 1.00 N ATOM 435 CA GLY A 229 -8.323 -1.063 -1.366 1.00 1.00 C ATOM 436 C GLY A 229 -9.732 -1.604 -1.479 1.00 1.00 C ATOM 437 O GLY A 229 -10.294 -2.083 -0.497 1.00 1.00 O ATOM 0 H GLY A 229 -8.109 0.655 -2.538 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -7.634 -1.888 -1.185 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -8.260 -0.400 -0.503 1.00 1.00 H new ATOM 441 N LEU A 230 -10.298 -1.542 -2.679 1.00 1.00 N ATOM 442 CA LEU A 230 -11.654 -2.025 -2.915 1.00 1.00 C ATOM 443 C LEU A 230 -11.736 -3.531 -2.675 1.00 1.00 C ATOM 444 O LEU A 230 -12.607 -4.006 -1.945 1.00 1.00 O ATOM 445 CB LEU A 230 -12.089 -1.686 -4.345 1.00 1.00 C ATOM 446 CG LEU A 230 -13.599 -1.555 -4.564 1.00 1.00 C ATOM 447 CD1 LEU A 230 -13.884 -0.594 -5.707 1.00 1.00 C ATOM 448 CD2 LEU A 230 -14.218 -2.913 -4.856 1.00 1.00 C ATOM 0 H LEU A 230 -9.838 -1.161 -3.506 1.00 1.00 H new ATOM 0 HA LEU A 230 -12.328 -1.531 -2.216 1.00 1.00 H new ATOM 0 HB2 LEU A 230 -11.615 -0.749 -4.637 1.00 1.00 H new ATOM 0 HB3 LEU A 230 -11.709 -2.458 -5.014 1.00 1.00 H new ATOM 0 HG LEU A 230 -14.045 -1.160 -3.651 1.00 1.00 H new ATOM 0 HD11 LEU A 230 -14.961 -0.510 -5.852 1.00 1.00 H new ATOM 0 HD12 LEU A 230 -13.472 0.387 -5.469 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -13.423 -0.969 -6.621 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -15.291 -2.798 -5.009 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -13.766 -3.333 -5.755 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -14.041 -3.582 -4.014 1.00 1.00 H new ATOM 460 N TYR A 231 -10.820 -4.273 -3.287 1.00 1.00 N ATOM 461 CA TYR A 231 -10.775 -5.726 -3.141 1.00 1.00 C ATOM 462 C TYR A 231 -10.578 -6.121 -1.677 1.00 1.00 C ATOM 463 O TYR A 231 -11.261 -7.009 -1.161 1.00 1.00 O ATOM 464 CB TYR A 231 -9.647 -6.304 -4.013 1.00 1.00 C ATOM 465 CG TYR A 231 -9.082 -7.622 -3.521 1.00 1.00 C ATOM 466 CD1 TYR A 231 -9.736 -8.823 -3.770 1.00 1.00 C ATOM 467 CD2 TYR A 231 -7.891 -7.659 -2.804 1.00 1.00 C ATOM 468 CE1 TYR A 231 -9.218 -10.022 -3.316 1.00 1.00 C ATOM 469 CE2 TYR A 231 -7.370 -8.853 -2.349 1.00 1.00 C ATOM 470 CZ TYR A 231 -8.035 -10.029 -2.605 1.00 1.00 C ATOM 471 OH TYR A 231 -7.513 -11.219 -2.151 1.00 1.00 O ATOM 0 H TYR A 231 -10.094 -3.891 -3.893 1.00 1.00 H new ATOM 0 HA TYR A 231 -11.727 -6.139 -3.474 1.00 1.00 H new ATOM 0 HB2 TYR A 231 -10.023 -6.441 -5.027 1.00 1.00 H new ATOM 0 HB3 TYR A 231 -8.838 -5.575 -4.068 1.00 1.00 H new ATOM 0 HD1 TYR A 231 -10.662 -8.820 -4.326 1.00 1.00 H new ATOM 0 HD2 TYR A 231 -7.365 -6.738 -2.600 1.00 1.00 H new ATOM 0 HE1 TYR A 231 -9.736 -10.948 -3.517 1.00 1.00 H new ATOM 0 HE2 TYR A 231 -6.444 -8.864 -1.794 1.00 1.00 H new ATOM 0 HH TYR A 231 -6.676 -11.047 -1.670 1.00 1.00 H new ATOM 481 N HIS A 232 -9.663 -5.434 -1.006 1.00 1.00 N ATOM 482 CA HIS A 232 -9.355 -5.715 0.393 1.00 1.00 C ATOM 483 C HIS A 232 -10.510 -5.300 1.302 1.00 1.00 C ATOM 484 O HIS A 232 -10.612 -5.760 2.438 1.00 1.00 O ATOM 485 CB HIS A 232 -8.074 -4.981 0.807 1.00 1.00 C ATOM 486 CG HIS A 232 -7.302 -5.662 1.902 1.00 1.00 C ATOM 487 ND1 HIS A 232 -7.898 -6.269 2.989 1.00 1.00 N ATOM 488 CD2 HIS A 232 -5.967 -5.819 2.073 1.00 1.00 C ATOM 489 CE1 HIS A 232 -6.964 -6.768 3.778 1.00 1.00 C ATOM 490 NE2 HIS A 232 -5.785 -6.510 3.244 1.00 1.00 N ATOM 0 H HIS A 232 -9.117 -4.673 -1.410 1.00 1.00 H new ATOM 0 HA HIS A 232 -9.205 -6.789 0.499 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -7.430 -4.877 -0.066 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -8.334 -3.974 1.133 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -8.903 -6.324 3.157 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -5.191 -5.466 1.411 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -7.136 -7.298 4.703 1.00 1.00 H new ATOM 0 HE2 HIS A 232 -4.884 -6.781 3.638 1.00 1.00 H new ATOM 499 N LYS A 233 -11.369 -4.427 0.796 1.00 1.00 N ATOM 500 CA LYS A 233 -12.515 -3.944 1.552 1.00 1.00 C ATOM 501 C LYS A 233 -13.711 -4.874 1.375 1.00 1.00 C ATOM 502 O LYS A 233 -14.305 -5.333 2.349 1.00 1.00 O ATOM 503 CB LYS A 233 -12.875 -2.526 1.090 1.00 1.00 C ATOM 504 CG LYS A 233 -14.004 -1.879 1.877 1.00 1.00 C ATOM 505 CD LYS A 233 -14.340 -0.495 1.338 1.00 1.00 C ATOM 506 CE LYS A 233 -14.939 -0.566 -0.058 1.00 1.00 C ATOM 507 NZ LYS A 233 -15.561 0.721 -0.469 1.00 1.00 N ATOM 0 H LYS A 233 -11.292 -4.036 -0.143 1.00 1.00 H new ATOM 0 HA LYS A 233 -12.254 -3.924 2.610 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -11.988 -1.896 1.165 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -13.155 -2.560 0.037 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -14.890 -2.513 1.832 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -13.720 -1.802 2.927 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -15.042 -0.003 2.011 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -13.438 0.116 1.316 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -14.161 -0.836 -0.772 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -15.689 -1.356 -0.090 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -16.282 0.541 -1.197 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -16.006 1.170 0.356 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -14.830 1.352 -0.854 1.00 1.00 H new ATOM 521 N MET A 234 -14.038 -5.164 0.122 1.00 1.00 N ATOM 522 CA MET A 234 -15.178 -6.017 -0.203 1.00 1.00 C ATOM 523 C MET A 234 -14.928 -7.481 0.151 1.00 1.00 C ATOM 524 O MET A 234 -15.758 -8.114 0.804 1.00 1.00 O ATOM 525 CB MET A 234 -15.526 -5.898 -1.688 1.00 1.00 C ATOM 526 CG MET A 234 -16.694 -4.969 -1.963 1.00 1.00 C ATOM 527 SD MET A 234 -17.146 -4.923 -3.708 1.00 1.00 S ATOM 528 CE MET A 234 -18.666 -3.980 -3.632 1.00 1.00 C ATOM 0 H MET A 234 -13.528 -4.820 -0.691 1.00 1.00 H new ATOM 0 HA MET A 234 -16.016 -5.670 0.401 1.00 1.00 H new ATOM 0 HB2 MET A 234 -14.651 -5.539 -2.231 1.00 1.00 H new ATOM 0 HB3 MET A 234 -15.760 -6.888 -2.079 1.00 1.00 H new ATOM 0 HG2 MET A 234 -17.555 -5.290 -1.377 1.00 1.00 H new ATOM 0 HG3 MET A 234 -16.439 -3.963 -1.631 1.00 1.00 H new ATOM 0 HE1 MET A 234 -19.073 -3.864 -4.637 1.00 1.00 H new ATOM 0 HE2 MET A 234 -19.389 -4.504 -3.007 1.00 1.00 H new ATOM 0 HE3 MET A 234 -18.464 -2.997 -3.207 1.00 1.00 H new ATOM 538 N ASN A 235 -13.794 -8.019 -0.278 1.00 1.00 N ATOM 539 CA ASN A 235 -13.470 -9.418 -0.006 1.00 1.00 C ATOM 540 C ASN A 235 -12.932 -9.580 1.411 1.00 1.00 C ATOM 541 O ASN A 235 -13.043 -10.647 2.012 1.00 1.00 O ATOM 542 CB ASN A 235 -12.451 -9.948 -1.025 1.00 1.00 C ATOM 543 CG ASN A 235 -12.233 -11.450 -0.915 1.00 1.00 C ATOM 544 OD1 ASN A 235 -13.147 -12.202 -0.582 1.00 1.00 O ATOM 545 ND2 ASN A 235 -11.021 -11.897 -1.205 1.00 1.00 N ATOM 0 H ASN A 235 -13.086 -7.515 -0.812 1.00 1.00 H new ATOM 0 HA ASN A 235 -14.386 -10.001 -0.098 1.00 1.00 H new ATOM 0 HB2 ASN A 235 -12.793 -9.708 -2.032 1.00 1.00 H new ATOM 0 HB3 ASN A 235 -11.500 -9.436 -0.881 1.00 1.00 H new ATOM 0 HD21 ASN A 235 -10.821 -12.896 -1.156 1.00 1.00 H new ATOM 0 HD22 ASN A 235 -10.288 -11.242 -1.478 1.00 1.00 H new ATOM 552 N GLY A 236 -12.347 -8.513 1.943 1.00 1.00 N ATOM 553 CA GLY A 236 -11.801 -8.555 3.289 1.00 1.00 C ATOM 554 C GLY A 236 -10.402 -9.142 3.330 1.00 1.00 C ATOM 555 O GLY A 236 -9.567 -8.727 4.135 1.00 1.00 O ATOM 0 H GLY A 236 -12.240 -7.618 1.466 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -11.781 -7.546 3.701 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -12.459 -9.146 3.926 1.00 1.00 H new ATOM 559 N GLN A 237 -10.152 -10.106 2.454 1.00 1.00 N ATOM 560 CA GLN A 237 -8.858 -10.765 2.375 1.00 1.00 C ATOM 561 C GLN A 237 -7.782 -9.807 1.876 1.00 1.00 C ATOM 562 O GLN A 237 -8.079 -8.798 1.231 1.00 1.00 O ATOM 563 CB GLN A 237 -8.940 -11.986 1.461 1.00 1.00 C ATOM 564 CG GLN A 237 -9.939 -13.026 1.934 1.00 1.00 C ATOM 565 CD GLN A 237 -9.860 -14.309 1.137 1.00 1.00 C ATOM 566 OE1 GLN A 237 -10.540 -14.467 0.122 1.00 1.00 O ATOM 567 NE2 GLN A 237 -9.033 -15.237 1.588 1.00 1.00 N ATOM 0 H GLN A 237 -10.837 -10.451 1.782 1.00 1.00 H new ATOM 0 HA GLN A 237 -8.584 -11.090 3.379 1.00 1.00 H new ATOM 0 HB2 GLN A 237 -9.212 -11.661 0.457 1.00 1.00 H new ATOM 0 HB3 GLN A 237 -7.954 -12.445 1.391 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -9.760 -13.244 2.987 1.00 1.00 H new ATOM 0 HG3 GLN A 237 -10.947 -12.617 1.860 1.00 1.00 H new ATOM 0 HE21 GLN A 237 -8.487 -15.067 2.433 1.00 1.00 H new ATOM 0 HE22 GLN A 237 -8.941 -16.123 1.091 1.00 1.00 H new ATOM 576 N ASN A 238 -6.539 -10.137 2.181 1.00 1.00 N ATOM 577 CA ASN A 238 -5.400 -9.320 1.794 1.00 1.00 C ATOM 578 C ASN A 238 -4.995 -9.595 0.352 1.00 1.00 C ATOM 579 O ASN A 238 -4.835 -10.780 -0.006 1.00 1.00 O ATOM 580 CB ASN A 238 -4.226 -9.590 2.734 1.00 1.00 C ATOM 581 CG ASN A 238 -3.103 -8.589 2.562 1.00 1.00 C ATOM 582 OD1 ASN A 238 -3.149 -7.484 3.111 1.00 1.00 O ATOM 583 ND2 ASN A 238 -2.081 -8.968 1.814 1.00 1.00 N ATOM 0 H ASN A 238 -6.290 -10.977 2.703 1.00 1.00 H new ATOM 0 HA ASN A 238 -5.686 -8.271 1.869 1.00 1.00 H new ATOM 0 HB2 ASN A 238 -4.577 -9.563 3.766 1.00 1.00 H new ATOM 0 HB3 ASN A 238 -3.844 -10.595 2.553 1.00 1.00 H new ATOM 0 HD21 ASN A 238 -1.291 -8.338 1.673 1.00 1.00 H new ATOM 0 HD22 ASN A 238 -2.082 -9.890 1.378 1.00 1.00 H new TER 590 ASN A 238 ATOM 591 N GLY B 1 24.679 -0.618 9.238 1.00 1.00 N ATOM 592 CA GLY B 1 23.201 -0.579 9.160 1.00 1.00 C ATOM 593 C GLY B 1 22.695 -1.089 7.829 1.00 1.00 C ATOM 594 O GLY B 1 23.487 -1.537 6.998 1.00 1.00 O ATOM 0 H1 GLY B 1 24.971 -1.333 9.935 1.00 1.00 H new ATOM 0 H2 GLY B 1 25.069 -0.863 8.306 1.00 1.00 H new ATOM 0 H3 GLY B 1 25.036 0.315 9.528 1.00 1.00 H new ATOM 0 HA2 GLY B 1 22.779 -1.181 9.964 1.00 1.00 H new ATOM 0 HA3 GLY B 1 22.856 0.444 9.312 1.00 1.00 H new ATOM 600 N SER B 2 21.371 -1.056 7.653 1.00 1.00 N ATOM 601 CA SER B 2 20.706 -1.493 6.417 1.00 1.00 C ATOM 602 C SER B 2 20.742 -3.016 6.238 1.00 1.00 C ATOM 603 O SER B 2 19.882 -3.587 5.564 1.00 1.00 O ATOM 604 CB SER B 2 21.317 -0.785 5.202 1.00 1.00 C ATOM 605 OG SER B 2 21.379 0.616 5.422 1.00 1.00 O ATOM 0 H SER B 2 20.724 -0.723 8.368 1.00 1.00 H new ATOM 0 HA SER B 2 19.656 -1.212 6.499 1.00 1.00 H new ATOM 0 HB2 SER B 2 22.317 -1.174 5.012 1.00 1.00 H new ATOM 0 HB3 SER B 2 20.720 -0.994 4.314 1.00 1.00 H new ATOM 0 HG SER B 2 21.773 1.053 4.638 1.00 1.00 H new ATOM 611 N LEU B 3 21.728 -3.670 6.838 1.00 1.00 N ATOM 612 CA LEU B 3 21.847 -5.115 6.748 1.00 1.00 C ATOM 613 C LEU B 3 20.667 -5.771 7.459 1.00 1.00 C ATOM 614 O LEU B 3 20.562 -5.706 8.688 1.00 1.00 O ATOM 615 CB LEU B 3 23.170 -5.581 7.362 1.00 1.00 C ATOM 616 CG LEU B 3 23.542 -7.037 7.077 1.00 1.00 C ATOM 617 CD1 LEU B 3 23.661 -7.275 5.582 1.00 1.00 C ATOM 618 CD2 LEU B 3 24.844 -7.389 7.772 1.00 1.00 C ATOM 0 H LEU B 3 22.457 -3.220 7.392 1.00 1.00 H new ATOM 0 HA LEU B 3 21.837 -5.409 5.699 1.00 1.00 H new ATOM 0 HB2 LEU B 3 23.970 -4.939 6.993 1.00 1.00 H new ATOM 0 HB3 LEU B 3 23.121 -5.440 8.442 1.00 1.00 H new ATOM 0 HG LEU B 3 22.751 -7.679 7.465 1.00 1.00 H new ATOM 0 HD11 LEU B 3 23.926 -8.316 5.399 1.00 1.00 H new ATOM 0 HD12 LEU B 3 22.708 -7.054 5.101 1.00 1.00 H new ATOM 0 HD13 LEU B 3 24.434 -6.626 5.171 1.00 1.00 H new ATOM 0 HD21 LEU B 3 25.099 -8.428 7.562 1.00 1.00 H new ATOM 0 HD22 LEU B 3 25.639 -6.739 7.406 1.00 1.00 H new ATOM 0 HD23 LEU B 3 24.731 -7.253 8.848 1.00 1.00 H new ATOM 630 N LEU B 4 19.774 -6.372 6.669 1.00 1.00 N ATOM 631 CA LEU B 4 18.576 -7.034 7.190 1.00 1.00 C ATOM 632 C LEU B 4 17.649 -6.012 7.848 1.00 1.00 C ATOM 633 O LEU B 4 16.851 -6.349 8.723 1.00 1.00 O ATOM 634 CB LEU B 4 18.937 -8.146 8.192 1.00 1.00 C ATOM 635 CG LEU B 4 19.221 -9.526 7.585 1.00 1.00 C ATOM 636 CD1 LEU B 4 18.093 -9.953 6.659 1.00 1.00 C ATOM 637 CD2 LEU B 4 20.552 -9.530 6.850 1.00 1.00 C ATOM 0 H LEU B 4 19.861 -6.413 5.654 1.00 1.00 H new ATOM 0 HA LEU B 4 18.059 -7.496 6.349 1.00 1.00 H new ATOM 0 HB2 LEU B 4 19.815 -7.830 8.755 1.00 1.00 H new ATOM 0 HB3 LEU B 4 18.119 -8.245 8.906 1.00 1.00 H new ATOM 0 HG LEU B 4 19.281 -10.247 8.400 1.00 1.00 H new ATOM 0 HD11 LEU B 4 18.317 -10.934 6.241 1.00 1.00 H new ATOM 0 HD12 LEU B 4 17.160 -10.002 7.221 1.00 1.00 H new ATOM 0 HD13 LEU B 4 17.992 -9.229 5.851 1.00 1.00 H new ATOM 0 HD21 LEU B 4 20.732 -10.519 6.428 1.00 1.00 H new ATOM 0 HD22 LEU B 4 20.527 -8.792 6.048 1.00 1.00 H new ATOM 0 HD23 LEU B 4 21.353 -9.282 7.546 1.00 1.00 H new ATOM 649 N LYS B 5 17.762 -4.758 7.417 1.00 1.00 N ATOM 650 CA LYS B 5 16.948 -3.676 7.955 1.00 1.00 C ATOM 651 C LYS B 5 16.432 -2.788 6.827 1.00 1.00 C ATOM 652 O LYS B 5 17.218 -2.209 6.081 1.00 1.00 O ATOM 653 CB LYS B 5 17.763 -2.833 8.948 1.00 1.00 C ATOM 654 CG LYS B 5 18.173 -3.578 10.212 1.00 1.00 C ATOM 655 CD LYS B 5 17.136 -3.440 11.319 1.00 1.00 C ATOM 656 CE LYS B 5 15.889 -4.262 11.034 1.00 1.00 C ATOM 657 NZ LYS B 5 14.897 -4.168 12.138 1.00 1.00 N ATOM 0 H LYS B 5 18.416 -4.467 6.690 1.00 1.00 H new ATOM 0 HA LYS B 5 16.099 -4.115 8.478 1.00 1.00 H new ATOM 0 HB2 LYS B 5 18.660 -2.469 8.447 1.00 1.00 H new ATOM 0 HB3 LYS B 5 17.178 -1.958 9.230 1.00 1.00 H new ATOM 0 HG2 LYS B 5 18.317 -4.633 9.980 1.00 1.00 H new ATOM 0 HG3 LYS B 5 19.131 -3.195 10.563 1.00 1.00 H new ATOM 0 HD2 LYS B 5 17.572 -3.758 12.266 1.00 1.00 H new ATOM 0 HD3 LYS B 5 16.862 -2.391 11.431 1.00 1.00 H new ATOM 0 HE2 LYS B 5 15.432 -3.919 10.106 1.00 1.00 H new ATOM 0 HE3 LYS B 5 16.168 -5.305 10.885 1.00 1.00 H new ATOM 0 HZ1 LYS B 5 14.062 -4.742 11.904 1.00 1.00 H new ATOM 0 HZ2 LYS B 5 15.324 -4.520 13.019 1.00 1.00 H new ATOM 0 HZ3 LYS B 5 14.611 -3.176 12.264 1.00 1.00 H new ATOM 671 N PRO B 6 15.103 -2.679 6.680 1.00 1.00 N ATOM 672 CA PRO B 6 14.492 -1.855 5.634 1.00 1.00 C ATOM 673 C PRO B 6 14.607 -0.359 5.929 1.00 1.00 C ATOM 674 O PRO B 6 13.802 0.207 6.674 1.00 1.00 O ATOM 675 CB PRO B 6 13.029 -2.300 5.644 1.00 1.00 C ATOM 676 CG PRO B 6 12.788 -2.788 7.032 1.00 1.00 C ATOM 677 CD PRO B 6 14.094 -3.360 7.511 1.00 1.00 C ATOM 0 HA PRO B 6 14.982 -1.987 4.670 1.00 1.00 H new ATOM 0 HB2 PRO B 6 12.363 -1.474 5.394 1.00 1.00 H new ATOM 0 HB3 PRO B 6 12.850 -3.087 4.911 1.00 1.00 H new ATOM 0 HG2 PRO B 6 12.459 -1.974 7.679 1.00 1.00 H new ATOM 0 HG3 PRO B 6 12.003 -3.544 7.048 1.00 1.00 H new ATOM 0 HD2 PRO B 6 14.251 -3.164 8.572 1.00 1.00 H new ATOM 0 HD3 PRO B 6 14.130 -4.441 7.378 1.00 1.00 H new ATOM 685 N ALA B 7 15.620 0.270 5.349 1.00 1.00 N ATOM 686 CA ALA B 7 15.851 1.697 5.539 1.00 1.00 C ATOM 687 C ALA B 7 15.455 2.479 4.290 1.00 1.00 C ATOM 688 O ALA B 7 15.968 3.569 4.029 1.00 1.00 O ATOM 689 CB ALA B 7 17.312 1.953 5.890 1.00 1.00 C ATOM 0 H ALA B 7 16.298 -0.187 4.740 1.00 1.00 H new ATOM 0 HA ALA B 7 15.229 2.040 6.366 1.00 1.00 H new ATOM 0 HB1 ALA B 7 17.471 3.022 6.029 1.00 1.00 H new ATOM 0 HB2 ALA B 7 17.563 1.426 6.811 1.00 1.00 H new ATOM 0 HB3 ALA B 7 17.949 1.594 5.082 1.00 1.00 H new ATOM 695 N ARG B 8 14.538 1.917 3.512 1.00 1.00 N ATOM 696 CA ARG B 8 14.077 2.561 2.291 1.00 1.00 C ATOM 697 C ARG B 8 12.571 2.769 2.338 1.00 1.00 C ATOM 698 O ARG B 8 11.836 1.909 2.818 1.00 1.00 O ATOM 699 CB ARG B 8 14.463 1.735 1.064 1.00 1.00 C ATOM 700 CG ARG B 8 15.947 1.797 0.734 1.00 1.00 C ATOM 701 CD ARG B 8 16.426 3.234 0.600 1.00 1.00 C ATOM 702 NE ARG B 8 17.862 3.318 0.340 1.00 1.00 N ATOM 703 CZ ARG B 8 18.672 4.209 0.909 1.00 1.00 C ATOM 704 NH1 ARG B 8 18.197 5.043 1.824 1.00 1.00 N ATOM 705 NH2 ARG B 8 19.961 4.244 0.586 1.00 1.00 N ATOM 0 H ARG B 8 14.100 1.017 3.706 1.00 1.00 H new ATOM 0 HA ARG B 8 14.561 3.534 2.214 1.00 1.00 H new ATOM 0 HB2 ARG B 8 14.179 0.696 1.231 1.00 1.00 H new ATOM 0 HB3 ARG B 8 13.893 2.087 0.204 1.00 1.00 H new ATOM 0 HG2 ARG B 8 16.516 1.293 1.515 1.00 1.00 H new ATOM 0 HG3 ARG B 8 16.137 1.260 -0.195 1.00 1.00 H new ATOM 0 HD2 ARG B 8 15.883 3.722 -0.210 1.00 1.00 H new ATOM 0 HD3 ARG B 8 16.192 3.779 1.514 1.00 1.00 H new ATOM 0 HE ARG B 8 18.269 2.653 -0.318 1.00 1.00 H new ATOM 0 HH11 ARG B 8 17.213 5.001 2.091 1.00 1.00 H new ATOM 0 HH12 ARG B 8 18.815 5.726 2.261 1.00 1.00 H new ATOM 0 HH21 ARG B 8 20.333 3.587 -0.100 1.00 1.00 H new ATOM 0 HH22 ARG B 8 20.578 4.928 1.024 1.00 1.00 H new ATOM 719 N PHE B 9 12.122 3.913 1.842 1.00 1.00 N ATOM 720 CA PHE B 9 10.703 4.243 1.838 1.00 1.00 C ATOM 721 C PHE B 9 10.261 4.709 0.456 1.00 1.00 C ATOM 722 O PHE B 9 9.188 5.284 0.297 1.00 1.00 O ATOM 723 CB PHE B 9 10.405 5.331 2.881 1.00 1.00 C ATOM 724 CG PHE B 9 11.282 6.551 2.759 1.00 1.00 C ATOM 725 CD1 PHE B 9 10.976 7.559 1.856 1.00 1.00 C ATOM 726 CD2 PHE B 9 12.416 6.687 3.545 1.00 1.00 C ATOM 727 CE1 PHE B 9 11.782 8.675 1.738 1.00 1.00 C ATOM 728 CE2 PHE B 9 13.226 7.802 3.430 1.00 1.00 C ATOM 729 CZ PHE B 9 12.908 8.797 2.526 1.00 1.00 C ATOM 0 H PHE B 9 12.722 4.631 1.436 1.00 1.00 H new ATOM 0 HA PHE B 9 10.143 3.344 2.095 1.00 1.00 H new ATOM 0 HB2 PHE B 9 9.362 5.634 2.787 1.00 1.00 H new ATOM 0 HB3 PHE B 9 10.525 4.907 3.878 1.00 1.00 H new ATOM 0 HD1 PHE B 9 10.096 7.470 1.237 1.00 1.00 H new ATOM 0 HD2 PHE B 9 12.670 5.914 4.255 1.00 1.00 H new ATOM 0 HE1 PHE B 9 11.531 9.451 1.030 1.00 1.00 H new ATOM 0 HE2 PHE B 9 14.107 7.895 4.047 1.00 1.00 H new ATOM 0 HZ PHE B 9 13.539 9.669 2.436 1.00 1.00 H new ATOM 739 N MET B 10 11.088 4.460 -0.544 1.00 1.00 N ATOM 740 CA MET B 10 10.769 4.871 -1.900 1.00 1.00 C ATOM 741 C MET B 10 11.072 3.757 -2.886 1.00 1.00 C ATOM 742 O MET B 10 12.120 3.113 -2.804 1.00 1.00 O ATOM 743 CB MET B 10 11.554 6.131 -2.273 1.00 1.00 C ATOM 744 CG MET B 10 11.218 6.666 -3.655 1.00 1.00 C ATOM 745 SD MET B 10 12.001 8.254 -3.991 1.00 1.00 S ATOM 746 CE MET B 10 11.408 8.569 -5.652 1.00 1.00 C ATOM 0 H MET B 10 11.981 3.978 -0.444 1.00 1.00 H new ATOM 0 HA MET B 10 9.703 5.092 -1.946 1.00 1.00 H new ATOM 0 HB2 MET B 10 11.355 6.906 -1.533 1.00 1.00 H new ATOM 0 HB3 MET B 10 12.621 5.912 -2.226 1.00 1.00 H new ATOM 0 HG2 MET B 10 11.533 5.943 -4.407 1.00 1.00 H new ATOM 0 HG3 MET B 10 10.137 6.771 -3.747 1.00 1.00 H new ATOM 0 HE1 MET B 10 11.805 9.520 -6.006 1.00 1.00 H new ATOM 0 HE2 MET B 10 11.738 7.769 -6.314 1.00 1.00 H new ATOM 0 HE3 MET B 10 10.319 8.610 -5.648 1.00 1.00 H new ATOM 756 N CYS B 11 10.143 3.526 -3.801 1.00 1.00 N ATOM 757 CA CYS B 11 10.306 2.502 -4.811 1.00 1.00 C ATOM 758 C CYS B 11 11.226 2.998 -5.921 1.00 1.00 C ATOM 759 O CYS B 11 11.293 4.197 -6.203 1.00 1.00 O ATOM 760 CB CYS B 11 8.943 2.113 -5.391 1.00 1.00 C ATOM 761 SG CYS B 11 8.991 0.704 -6.543 1.00 1.00 S ATOM 0 H CYS B 11 9.264 4.040 -3.861 1.00 1.00 H new ATOM 0 HA CYS B 11 10.756 1.623 -4.349 1.00 1.00 H new ATOM 0 HB2 CYS B 11 8.268 1.873 -4.570 1.00 1.00 H new ATOM 0 HB3 CYS B 11 8.522 2.975 -5.908 1.00 1.00 H new ATOM 766 N LEU B 12 11.929 2.070 -6.542 1.00 1.00 N ATOM 767 CA LEU B 12 12.838 2.396 -7.629 1.00 1.00 C ATOM 768 C LEU B 12 12.254 1.952 -8.976 1.00 1.00 C ATOM 769 O LEU B 12 12.179 2.761 -9.907 1.00 1.00 O ATOM 770 CB LEU B 12 14.217 1.773 -7.389 1.00 1.00 C ATOM 771 CG LEU B 12 14.963 2.315 -6.168 1.00 1.00 C ATOM 772 CD1 LEU B 12 16.180 1.461 -5.863 1.00 1.00 C ATOM 773 CD2 LEU B 12 15.375 3.763 -6.389 1.00 1.00 C ATOM 0 H LEU B 12 11.889 1.077 -6.312 1.00 1.00 H new ATOM 0 HA LEU B 12 12.963 3.478 -7.660 1.00 1.00 H new ATOM 0 HB2 LEU B 12 14.098 0.695 -7.276 1.00 1.00 H new ATOM 0 HB3 LEU B 12 14.832 1.935 -8.274 1.00 1.00 H new ATOM 0 HG LEU B 12 14.289 2.275 -5.313 1.00 1.00 H new ATOM 0 HD11 LEU B 12 16.697 1.863 -4.992 1.00 1.00 H new ATOM 0 HD12 LEU B 12 15.865 0.438 -5.658 1.00 1.00 H new ATOM 0 HD13 LEU B 12 16.854 1.468 -6.720 1.00 1.00 H new ATOM 0 HD21 LEU B 12 15.904 4.129 -5.509 1.00 1.00 H new ATOM 0 HD22 LEU B 12 16.029 3.826 -7.258 1.00 1.00 H new ATOM 0 HD23 LEU B 12 14.487 4.372 -6.558 1.00 1.00 H new ATOM 785 N PRO B 13 11.836 0.667 -9.119 1.00 1.00 N ATOM 786 CA PRO B 13 11.237 0.180 -10.366 1.00 1.00 C ATOM 787 C PRO B 13 9.971 0.957 -10.710 1.00 1.00 C ATOM 788 O PRO B 13 9.778 1.375 -11.856 1.00 1.00 O ATOM 789 CB PRO B 13 10.905 -1.288 -10.073 1.00 1.00 C ATOM 790 CG PRO B 13 11.787 -1.657 -8.934 1.00 1.00 C ATOM 791 CD PRO B 13 11.936 -0.409 -8.114 1.00 1.00 C ATOM 0 HA PRO B 13 11.905 0.301 -11.219 1.00 1.00 H new ATOM 0 HB2 PRO B 13 9.853 -1.412 -9.815 1.00 1.00 H new ATOM 0 HB3 PRO B 13 11.096 -1.918 -10.942 1.00 1.00 H new ATOM 0 HG2 PRO B 13 11.349 -2.463 -8.345 1.00 1.00 H new ATOM 0 HG3 PRO B 13 12.755 -2.011 -9.288 1.00 1.00 H new ATOM 0 HD2 PRO B 13 11.155 -0.328 -7.358 1.00 1.00 H new ATOM 0 HD3 PRO B 13 12.891 -0.383 -7.590 1.00 1.00 H new ATOM 799 N CYS B 14 9.122 1.162 -9.711 1.00 1.00 N ATOM 800 CA CYS B 14 7.889 1.900 -9.902 1.00 1.00 C ATOM 801 C CYS B 14 8.152 3.394 -9.715 1.00 1.00 C ATOM 802 O CYS B 14 7.775 4.211 -10.555 1.00 1.00 O ATOM 803 CB CYS B 14 6.827 1.403 -8.922 1.00 1.00 C ATOM 804 SG CYS B 14 6.706 -0.416 -8.831 1.00 1.00 S ATOM 0 H CYS B 14 9.269 0.825 -8.760 1.00 1.00 H new ATOM 0 HA CYS B 14 7.519 1.738 -10.914 1.00 1.00 H new ATOM 0 HB2 CYS B 14 7.050 1.793 -7.929 1.00 1.00 H new ATOM 0 HB3 CYS B 14 5.858 1.809 -9.213 1.00 1.00 H new ATOM 809 N GLY B 15 8.809 3.739 -8.612 1.00 1.00 N ATOM 810 CA GLY B 15 9.140 5.131 -8.348 1.00 1.00 C ATOM 811 C GLY B 15 8.193 5.814 -7.379 1.00 1.00 C ATOM 812 O GLY B 15 8.174 7.042 -7.288 1.00 1.00 O ATOM 0 H GLY B 15 9.119 3.082 -7.896 1.00 1.00 H new ATOM 0 HA2 GLY B 15 10.153 5.184 -7.949 1.00 1.00 H new ATOM 0 HA3 GLY B 15 9.139 5.680 -9.290 1.00 1.00 H new ATOM 816 N ILE B 16 7.414 5.032 -6.645 1.00 1.00 N ATOM 817 CA ILE B 16 6.469 5.593 -5.686 1.00 1.00 C ATOM 818 C ILE B 16 7.174 5.937 -4.371 1.00 1.00 C ATOM 819 O ILE B 16 7.841 5.091 -3.769 1.00 1.00 O ATOM 820 CB ILE B 16 5.280 4.629 -5.418 1.00 1.00 C ATOM 821 CG1 ILE B 16 4.220 4.749 -6.521 1.00 1.00 C ATOM 822 CG2 ILE B 16 4.645 4.897 -4.059 1.00 1.00 C ATOM 823 CD1 ILE B 16 4.617 4.111 -7.834 1.00 1.00 C ATOM 0 H ILE B 16 7.416 4.013 -6.693 1.00 1.00 H new ATOM 0 HA ILE B 16 6.067 6.507 -6.124 1.00 1.00 H new ATOM 0 HB ILE B 16 5.677 3.614 -5.419 1.00 1.00 H new ATOM 0 HG12 ILE B 16 3.295 4.290 -6.172 1.00 1.00 H new ATOM 0 HG13 ILE B 16 4.008 5.804 -6.692 1.00 1.00 H new ATOM 0 HG21 ILE B 16 3.817 4.206 -3.902 1.00 1.00 H new ATOM 0 HG22 ILE B 16 5.389 4.755 -3.275 1.00 1.00 H new ATOM 0 HG23 ILE B 16 4.274 5.922 -4.026 1.00 1.00 H new ATOM 0 HD11 ILE B 16 3.813 4.240 -8.559 1.00 1.00 H new ATOM 0 HD12 ILE B 16 5.524 4.585 -8.209 1.00 1.00 H new ATOM 0 HD13 ILE B 16 4.800 3.047 -7.681 1.00 1.00 H new ATOM 835 N ALA B 17 7.037 7.185 -3.944 1.00 1.00 N ATOM 836 CA ALA B 17 7.646 7.645 -2.705 1.00 1.00 C ATOM 837 C ALA B 17 6.642 7.566 -1.563 1.00 1.00 C ATOM 838 O ALA B 17 5.577 8.186 -1.619 1.00 1.00 O ATOM 839 CB ALA B 17 8.164 9.068 -2.861 1.00 1.00 C ATOM 0 H ALA B 17 6.506 7.900 -4.441 1.00 1.00 H new ATOM 0 HA ALA B 17 8.490 6.996 -2.472 1.00 1.00 H new ATOM 0 HB1 ALA B 17 8.616 9.395 -1.925 1.00 1.00 H new ATOM 0 HB2 ALA B 17 8.911 9.098 -3.655 1.00 1.00 H new ATOM 0 HB3 ALA B 17 7.337 9.730 -3.116 1.00 1.00 H new ATOM 845 N PHE B 18 6.980 6.798 -0.540 1.00 1.00 N ATOM 846 CA PHE B 18 6.108 6.634 0.613 1.00 1.00 C ATOM 847 C PHE B 18 6.526 7.543 1.756 1.00 1.00 C ATOM 848 O PHE B 18 7.551 8.224 1.694 1.00 1.00 O ATOM 849 CB PHE B 18 6.133 5.186 1.103 1.00 1.00 C ATOM 850 CG PHE B 18 5.294 4.250 0.290 1.00 1.00 C ATOM 851 CD1 PHE B 18 3.925 4.181 0.487 1.00 1.00 C ATOM 852 CD2 PHE B 18 5.873 3.436 -0.665 1.00 1.00 C ATOM 853 CE1 PHE B 18 3.149 3.318 -0.254 1.00 1.00 C ATOM 854 CE2 PHE B 18 5.103 2.570 -1.410 1.00 1.00 C ATOM 855 CZ PHE B 18 3.736 2.511 -1.203 1.00 1.00 C ATOM 0 H PHE B 18 7.855 6.277 -0.484 1.00 1.00 H new ATOM 0 HA PHE B 18 5.100 6.901 0.296 1.00 1.00 H new ATOM 0 HB2 PHE B 18 7.163 4.830 1.098 1.00 1.00 H new ATOM 0 HB3 PHE B 18 5.791 5.158 2.137 1.00 1.00 H new ATOM 0 HD1 PHE B 18 3.460 4.812 1.231 1.00 1.00 H new ATOM 0 HD2 PHE B 18 6.940 3.479 -0.829 1.00 1.00 H new ATOM 0 HE1 PHE B 18 2.082 3.274 -0.091 1.00 1.00 H new ATOM 0 HE2 PHE B 18 5.565 1.938 -2.154 1.00 1.00 H new ATOM 0 HZ PHE B 18 3.130 1.833 -1.785 1.00 1.00 H new ATOM 865 N SER B 19 5.706 7.561 2.787 1.00 1.00 N ATOM 866 CA SER B 19 5.965 8.341 3.980 1.00 1.00 C ATOM 867 C SER B 19 5.553 7.531 5.207 1.00 1.00 C ATOM 868 O SER B 19 6.059 7.741 6.312 1.00 1.00 O ATOM 869 CB SER B 19 5.216 9.674 3.915 1.00 1.00 C ATOM 870 OG SER B 19 5.620 10.414 2.772 1.00 1.00 O ATOM 0 H SER B 19 4.835 7.031 2.821 1.00 1.00 H new ATOM 0 HA SER B 19 7.029 8.566 4.051 1.00 1.00 H new ATOM 0 HB2 SER B 19 4.142 9.493 3.878 1.00 1.00 H new ATOM 0 HB3 SER B 19 5.411 10.252 4.818 1.00 1.00 H new ATOM 0 HG SER B 19 5.132 11.263 2.743 1.00 1.00 H new ATOM 876 N SER B 20 4.632 6.596 4.992 1.00 1.00 N ATOM 877 CA SER B 20 4.156 5.718 6.044 1.00 1.00 C ATOM 878 C SER B 20 4.936 4.403 6.007 1.00 1.00 C ATOM 879 O SER B 20 4.826 3.631 5.053 1.00 1.00 O ATOM 880 CB SER B 20 2.656 5.452 5.872 1.00 1.00 C ATOM 881 OG SER B 20 1.933 6.666 5.739 1.00 1.00 O ATOM 0 H SER B 20 4.198 6.430 4.084 1.00 1.00 H new ATOM 0 HA SER B 20 4.313 6.198 7.010 1.00 1.00 H new ATOM 0 HB2 SER B 20 2.493 4.830 4.992 1.00 1.00 H new ATOM 0 HB3 SER B 20 2.282 4.895 6.731 1.00 1.00 H new ATOM 0 HG SER B 20 1.621 6.761 4.815 1.00 1.00 H new ATOM 887 N PRO B 21 5.746 4.127 7.038 1.00 1.00 N ATOM 888 CA PRO B 21 6.551 2.903 7.105 1.00 1.00 C ATOM 889 C PRO B 21 5.724 1.674 7.490 1.00 1.00 C ATOM 890 O PRO B 21 6.114 0.888 8.356 1.00 1.00 O ATOM 891 CB PRO B 21 7.582 3.229 8.187 1.00 1.00 C ATOM 892 CG PRO B 21 6.896 4.199 9.086 1.00 1.00 C ATOM 893 CD PRO B 21 5.951 4.991 8.220 1.00 1.00 C ATOM 0 HA PRO B 21 6.989 2.645 6.141 1.00 1.00 H new ATOM 0 HB2 PRO B 21 7.884 2.333 8.729 1.00 1.00 H new ATOM 0 HB3 PRO B 21 8.485 3.660 7.756 1.00 1.00 H new ATOM 0 HG2 PRO B 21 6.354 3.679 9.876 1.00 1.00 H new ATOM 0 HG3 PRO B 21 7.618 4.855 9.572 1.00 1.00 H new ATOM 0 HD2 PRO B 21 5.012 5.194 8.735 1.00 1.00 H new ATOM 0 HD3 PRO B 21 6.377 5.955 7.942 1.00 1.00 H new ATOM 901 N SER B 22 4.578 1.512 6.842 1.00 1.00 N ATOM 902 CA SER B 22 3.693 0.386 7.112 1.00 1.00 C ATOM 903 C SER B 22 2.926 -0.011 5.856 1.00 1.00 C ATOM 904 O SER B 22 1.882 -0.655 5.933 1.00 1.00 O ATOM 905 CB SER B 22 2.710 0.747 8.231 1.00 1.00 C ATOM 906 OG SER B 22 3.370 1.405 9.302 1.00 1.00 O ATOM 0 H SER B 22 4.238 2.150 6.122 1.00 1.00 H new ATOM 0 HA SER B 22 4.302 -0.461 7.428 1.00 1.00 H new ATOM 0 HB2 SER B 22 1.924 1.390 7.835 1.00 1.00 H new ATOM 0 HB3 SER B 22 2.226 -0.158 8.599 1.00 1.00 H new ATOM 0 HG SER B 22 2.720 1.625 10.001 1.00 1.00 H new ATOM 912 N THR B 23 3.440 0.382 4.700 1.00 1.00 N ATOM 913 CA THR B 23 2.792 0.069 3.436 1.00 1.00 C ATOM 914 C THR B 23 3.815 -0.347 2.380 1.00 1.00 C ATOM 915 O THR B 23 3.492 -0.472 1.198 1.00 1.00 O ATOM 916 CB THR B 23 2.001 1.287 2.930 1.00 1.00 C ATOM 917 OG1 THR B 23 2.733 2.485 3.218 1.00 1.00 O ATOM 918 CG2 THR B 23 0.633 1.357 3.592 1.00 1.00 C ATOM 0 H THR B 23 4.303 0.918 4.612 1.00 1.00 H new ATOM 0 HA THR B 23 2.111 -0.764 3.607 1.00 1.00 H new ATOM 0 HB THR B 23 1.861 1.187 1.854 1.00 1.00 H new ATOM 0 HG1 THR B 23 3.022 2.901 2.379 1.00 1.00 H new ATOM 0 HG21 THR B 23 0.092 2.226 3.218 1.00 1.00 H new ATOM 0 HG22 THR B 23 0.070 0.453 3.361 1.00 1.00 H new ATOM 0 HG23 THR B 23 0.755 1.442 4.672 1.00 1.00 H new ATOM 926 N LEU B 24 5.042 -0.589 2.826 1.00 1.00 N ATOM 927 CA LEU B 24 6.132 -0.971 1.933 1.00 1.00 C ATOM 928 C LEU B 24 5.958 -2.392 1.398 1.00 1.00 C ATOM 929 O LEU B 24 6.159 -2.647 0.210 1.00 1.00 O ATOM 930 CB LEU B 24 7.472 -0.854 2.666 1.00 1.00 C ATOM 931 CG LEU B 24 7.768 0.525 3.261 1.00 1.00 C ATOM 932 CD1 LEU B 24 8.989 0.467 4.166 1.00 1.00 C ATOM 933 CD2 LEU B 24 7.972 1.550 2.154 1.00 1.00 C ATOM 0 H LEU B 24 5.309 -0.527 3.808 1.00 1.00 H new ATOM 0 HA LEU B 24 6.116 -0.290 1.082 1.00 1.00 H new ATOM 0 HB2 LEU B 24 7.495 -1.591 3.468 1.00 1.00 H new ATOM 0 HB3 LEU B 24 8.272 -1.113 1.972 1.00 1.00 H new ATOM 0 HG LEU B 24 6.911 0.831 3.861 1.00 1.00 H new ATOM 0 HD11 LEU B 24 9.183 1.457 4.579 1.00 1.00 H new ATOM 0 HD12 LEU B 24 8.806 -0.236 4.979 1.00 1.00 H new ATOM 0 HD13 LEU B 24 9.854 0.139 3.590 1.00 1.00 H new ATOM 0 HD21 LEU B 24 8.181 2.525 2.595 1.00 1.00 H new ATOM 0 HD22 LEU B 24 8.811 1.247 1.528 1.00 1.00 H new ATOM 0 HD23 LEU B 24 7.070 1.613 1.546 1.00 1.00 H new ATOM 945 N GLU B 25 5.569 -3.306 2.276 1.00 1.00 N ATOM 946 CA GLU B 25 5.382 -4.702 1.900 1.00 1.00 C ATOM 947 C GLU B 25 4.158 -4.861 1.002 1.00 1.00 C ATOM 948 O GLU B 25 4.109 -5.755 0.163 1.00 1.00 O ATOM 949 CB GLU B 25 5.257 -5.589 3.150 1.00 1.00 C ATOM 950 CG GLU B 25 3.915 -5.499 3.862 1.00 1.00 C ATOM 951 CD GLU B 25 3.698 -4.165 4.541 1.00 1.00 C ATOM 952 OE1 GLU B 25 3.302 -3.201 3.855 1.00 1.00 O ATOM 953 OE2 GLU B 25 3.903 -4.078 5.765 1.00 1.00 O ATOM 0 H GLU B 25 5.376 -3.106 3.257 1.00 1.00 H new ATOM 0 HA GLU B 25 6.260 -5.024 1.339 1.00 1.00 H new ATOM 0 HB2 GLU B 25 5.431 -6.626 2.862 1.00 1.00 H new ATOM 0 HB3 GLU B 25 6.045 -5.316 3.852 1.00 1.00 H new ATOM 0 HG2 GLU B 25 3.115 -5.669 3.142 1.00 1.00 H new ATOM 0 HG3 GLU B 25 3.849 -6.294 4.605 1.00 1.00 H new ATOM 960 N ALA B 26 3.172 -3.991 1.194 1.00 1.00 N ATOM 961 CA ALA B 26 1.958 -4.018 0.393 1.00 1.00 C ATOM 962 C ALA B 26 2.255 -3.560 -1.026 1.00 1.00 C ATOM 963 O ALA B 26 1.766 -4.142 -1.993 1.00 1.00 O ATOM 964 CB ALA B 26 0.884 -3.154 1.031 1.00 1.00 C ATOM 0 H ALA B 26 3.192 -3.256 1.901 1.00 1.00 H new ATOM 0 HA ALA B 26 1.586 -5.042 0.350 1.00 1.00 H new ATOM 0 HB1 ALA B 26 -0.018 -3.184 0.420 1.00 1.00 H new ATOM 0 HB2 ALA B 26 0.659 -3.531 2.029 1.00 1.00 H new ATOM 0 HB3 ALA B 26 1.239 -2.126 1.103 1.00 1.00 H new ATOM 970 N HIS B 27 3.054 -2.511 -1.147 1.00 1.00 N ATOM 971 CA HIS B 27 3.441 -2.003 -2.454 1.00 1.00 C ATOM 972 C HIS B 27 4.243 -3.062 -3.202 1.00 1.00 C ATOM 973 O HIS B 27 3.918 -3.411 -4.340 1.00 1.00 O ATOM 974 CB HIS B 27 4.266 -0.722 -2.317 1.00 1.00 C ATOM 975 CG HIS B 27 4.666 -0.127 -3.634 1.00 1.00 C ATOM 976 ND1 HIS B 27 4.060 0.973 -4.202 1.00 1.00 N ATOM 977 CD2 HIS B 27 5.629 -0.515 -4.505 1.00 1.00 C ATOM 978 CE1 HIS B 27 4.662 1.207 -5.378 1.00 1.00 C ATOM 979 NE2 HIS B 27 5.617 0.327 -5.606 1.00 1.00 N ATOM 0 H HIS B 27 3.446 -1.996 -0.359 1.00 1.00 H new ATOM 0 HA HIS B 27 2.537 -1.769 -3.017 1.00 1.00 H new ATOM 0 HB2 HIS B 27 3.691 0.013 -1.754 1.00 1.00 H new ATOM 0 HB3 HIS B 27 5.163 -0.937 -1.736 1.00 1.00 H new ATOM 0 HD1 HIS B 27 3.292 1.512 -3.801 1.00 1.00 H new ATOM 0 HD2 HIS B 27 6.300 -1.349 -4.364 1.00 1.00 H new ATOM 0 HE1 HIS B 27 4.399 2.011 -6.050 1.00 1.00 H new ATOM 987 N GLN B 28 5.269 -3.587 -2.538 1.00 1.00 N ATOM 988 CA GLN B 28 6.133 -4.610 -3.120 1.00 1.00 C ATOM 989 C GLN B 28 5.463 -5.980 -3.059 1.00 1.00 C ATOM 990 O GLN B 28 6.058 -6.963 -2.612 1.00 1.00 O ATOM 991 CB GLN B 28 7.481 -4.648 -2.394 1.00 1.00 C ATOM 992 CG GLN B 28 8.324 -3.402 -2.608 1.00 1.00 C ATOM 993 CD GLN B 28 9.642 -3.702 -3.295 1.00 1.00 C ATOM 994 OE1 GLN B 28 10.648 -3.968 -2.638 1.00 1.00 O ATOM 995 NE2 GLN B 28 9.647 -3.665 -4.618 1.00 1.00 N ATOM 0 H GLN B 28 5.524 -3.318 -1.588 1.00 1.00 H new ATOM 0 HA GLN B 28 6.306 -4.356 -4.166 1.00 1.00 H new ATOM 0 HB2 GLN B 28 7.305 -4.778 -1.326 1.00 1.00 H new ATOM 0 HB3 GLN B 28 8.042 -5.519 -2.733 1.00 1.00 H new ATOM 0 HG2 GLN B 28 7.761 -2.685 -3.206 1.00 1.00 H new ATOM 0 HG3 GLN B 28 8.519 -2.930 -1.645 1.00 1.00 H new ATOM 0 HE21 GLN B 28 8.791 -3.440 -5.125 1.00 1.00 H new ATOM 0 HE22 GLN B 28 10.507 -3.861 -5.130 1.00 1.00 H new ATOM 1004 N ALA B 29 4.222 -6.023 -3.512 1.00 1.00 N ATOM 1005 CA ALA B 29 3.435 -7.242 -3.527 1.00 1.00 C ATOM 1006 C ALA B 29 2.318 -7.131 -4.550 1.00 1.00 C ATOM 1007 O ALA B 29 1.962 -8.104 -5.209 1.00 1.00 O ATOM 1008 CB ALA B 29 2.845 -7.511 -2.151 1.00 1.00 C ATOM 0 H ALA B 29 3.730 -5.209 -3.881 1.00 1.00 H new ATOM 0 HA ALA B 29 4.089 -8.071 -3.799 1.00 1.00 H new ATOM 0 HB1 ALA B 29 2.258 -8.429 -2.180 1.00 1.00 H new ATOM 0 HB2 ALA B 29 3.650 -7.618 -1.424 1.00 1.00 H new ATOM 0 HB3 ALA B 29 2.203 -6.679 -1.861 1.00 1.00 H new ATOM 1014 N TYR B 30 1.752 -5.935 -4.662 1.00 1.00 N ATOM 1015 CA TYR B 30 0.666 -5.697 -5.600 1.00 1.00 C ATOM 1016 C TYR B 30 1.155 -4.923 -6.825 1.00 1.00 C ATOM 1017 O TYR B 30 0.848 -5.282 -7.964 1.00 1.00 O ATOM 1018 CB TYR B 30 -0.464 -4.880 -4.959 1.00 1.00 C ATOM 1019 CG TYR B 30 -1.108 -5.442 -3.696 1.00 1.00 C ATOM 1020 CD1 TYR B 30 -0.366 -6.054 -2.698 1.00 1.00 C ATOM 1021 CD2 TYR B 30 -2.477 -5.304 -3.494 1.00 1.00 C ATOM 1022 CE1 TYR B 30 -0.962 -6.513 -1.541 1.00 1.00 C ATOM 1023 CE2 TYR B 30 -3.082 -5.766 -2.341 1.00 1.00 C ATOM 1024 CZ TYR B 30 -2.319 -6.367 -1.366 1.00 1.00 C ATOM 1025 OH TYR B 30 -2.911 -6.814 -0.208 1.00 1.00 O ATOM 0 H TYR B 30 2.027 -5.119 -4.116 1.00 1.00 H new ATOM 0 HA TYR B 30 0.295 -6.679 -5.894 1.00 1.00 H new ATOM 0 HB2 TYR B 30 -0.073 -3.890 -4.725 1.00 1.00 H new ATOM 0 HB3 TYR B 30 -1.247 -4.745 -5.705 1.00 1.00 H new ATOM 0 HD1 TYR B 30 0.699 -6.174 -2.828 1.00 1.00 H new ATOM 0 HD2 TYR B 30 -3.079 -4.826 -4.253 1.00 1.00 H new ATOM 0 HE1 TYR B 30 -0.365 -6.985 -0.775 1.00 1.00 H new ATOM 0 HE2 TYR B 30 -4.148 -5.656 -2.206 1.00 1.00 H new ATOM 0 HH TYR B 30 -3.874 -6.634 -0.242 1.00 1.00 H new ATOM 1035 N TYR B 31 1.911 -3.854 -6.579 1.00 1.00 N ATOM 1036 CA TYR B 31 2.406 -2.991 -7.650 1.00 1.00 C ATOM 1037 C TYR B 31 3.694 -3.512 -8.277 1.00 1.00 C ATOM 1038 O TYR B 31 3.766 -3.672 -9.498 1.00 1.00 O ATOM 1039 CB TYR B 31 2.624 -1.576 -7.116 1.00 1.00 C ATOM 1040 CG TYR B 31 1.977 -0.497 -7.957 1.00 1.00 C ATOM 1041 CD1 TYR B 31 0.628 -0.560 -8.287 1.00 1.00 C ATOM 1042 CD2 TYR B 31 2.711 0.592 -8.407 1.00 1.00 C ATOM 1043 CE1 TYR B 31 0.031 0.431 -9.044 1.00 1.00 C ATOM 1044 CE2 TYR B 31 2.119 1.589 -9.160 1.00 1.00 C ATOM 1045 CZ TYR B 31 0.781 1.504 -9.475 1.00 1.00 C ATOM 1046 OH TYR B 31 0.187 2.499 -10.218 1.00 1.00 O ATOM 0 H TYR B 31 2.195 -3.564 -5.643 1.00 1.00 H new ATOM 0 HA TYR B 31 1.648 -2.984 -8.433 1.00 1.00 H new ATOM 0 HB2 TYR B 31 2.231 -1.517 -6.101 1.00 1.00 H new ATOM 0 HB3 TYR B 31 3.695 -1.382 -7.055 1.00 1.00 H new ATOM 0 HD1 TYR B 31 0.037 -1.397 -7.946 1.00 1.00 H new ATOM 0 HD2 TYR B 31 3.761 0.662 -8.165 1.00 1.00 H new ATOM 0 HE1 TYR B 31 -1.017 0.365 -9.296 1.00 1.00 H new ATOM 0 HE2 TYR B 31 2.704 2.431 -9.500 1.00 1.00 H new ATOM 0 HH TYR B 31 0.853 3.183 -10.441 1.00 1.00 H new ATOM 1056 N CYS B 32 4.712 -3.748 -7.455 1.00 1.00 N ATOM 1057 CA CYS B 32 5.986 -4.244 -7.951 1.00 1.00 C ATOM 1058 C CYS B 32 5.820 -5.623 -8.579 1.00 1.00 C ATOM 1059 O CYS B 32 5.355 -6.560 -7.924 1.00 1.00 O ATOM 1060 CB CYS B 32 7.007 -4.299 -6.818 1.00 1.00 C ATOM 1061 SG CYS B 32 7.187 -2.729 -5.913 1.00 1.00 S ATOM 0 H CYS B 32 4.677 -3.604 -6.446 1.00 1.00 H new ATOM 0 HA CYS B 32 6.347 -3.559 -8.718 1.00 1.00 H new ATOM 0 HB2 CYS B 32 6.715 -5.081 -6.116 1.00 1.00 H new ATOM 0 HB3 CYS B 32 7.976 -4.584 -7.228 1.00 1.00 H new ATOM 1066 N SER B 33 6.206 -5.723 -9.847 1.00 1.00 N ATOM 1067 CA SER B 33 6.118 -6.961 -10.616 1.00 1.00 C ATOM 1068 C SER B 33 4.659 -7.333 -10.900 1.00 1.00 C ATOM 1069 O SER B 33 4.121 -6.983 -11.953 1.00 1.00 O ATOM 1070 CB SER B 33 6.845 -8.109 -9.899 1.00 1.00 C ATOM 1071 OG SER B 33 8.104 -7.682 -9.398 1.00 1.00 O ATOM 0 H SER B 33 6.592 -4.940 -10.375 1.00 1.00 H new ATOM 0 HA SER B 33 6.614 -6.793 -11.572 1.00 1.00 H new ATOM 0 HB2 SER B 33 6.229 -8.477 -9.078 1.00 1.00 H new ATOM 0 HB3 SER B 33 6.988 -8.941 -10.589 1.00 1.00 H new ATOM 0 HG SER B 33 8.546 -8.430 -8.945 1.00 1.00 H new ATOM 1077 N HIS B 34 4.021 -8.016 -9.950 1.00 1.00 N ATOM 1078 CA HIS B 34 2.631 -8.450 -10.092 1.00 1.00 C ATOM 1079 C HIS B 34 2.110 -8.976 -8.760 1.00 1.00 C ATOM 1080 O HIS B 34 2.894 -9.411 -7.916 1.00 1.00 O ATOM 1081 CB HIS B 34 2.510 -9.552 -11.153 1.00 1.00 C ATOM 1082 CG HIS B 34 1.858 -9.102 -12.424 1.00 1.00 C ATOM 1083 ND1 HIS B 34 2.536 -8.988 -13.615 1.00 1.00 N ATOM 1084 CD2 HIS B 34 0.580 -8.746 -12.689 1.00 1.00 C ATOM 1085 CE1 HIS B 34 1.708 -8.582 -14.557 1.00 1.00 C ATOM 1086 NE2 HIS B 34 0.514 -8.427 -14.019 1.00 1.00 N ATOM 0 H HIS B 34 4.450 -8.283 -9.064 1.00 1.00 H new ATOM 0 HA HIS B 34 2.038 -7.591 -10.405 1.00 1.00 H new ATOM 0 HB2 HIS B 34 3.505 -9.933 -11.382 1.00 1.00 H new ATOM 0 HB3 HIS B 34 1.939 -10.382 -10.737 1.00 1.00 H new ATOM 0 HD2 HIS B 34 -0.237 -8.719 -11.983 1.00 1.00 H new ATOM 0 HE1 HIS B 34 1.964 -8.406 -15.592 1.00 1.00 H new ATOM 0 HE2 HIS B 34 -0.323 -8.119 -14.514 1.00 1.00 H new ATOM 1095 N ARG B 35 0.792 -8.948 -8.580 1.00 1.00 N ATOM 1096 CA ARG B 35 0.183 -9.423 -7.345 1.00 1.00 C ATOM 1097 C ARG B 35 -0.285 -10.865 -7.494 1.00 1.00 C ATOM 1098 O ARG B 35 -1.186 -11.160 -8.280 1.00 1.00 O ATOM 1099 CB ARG B 35 -0.991 -8.525 -6.941 1.00 1.00 C ATOM 1100 CG ARG B 35 -1.458 -8.743 -5.511 1.00 1.00 C ATOM 1101 CD ARG B 35 -2.774 -9.504 -5.454 1.00 1.00 C ATOM 1102 NE ARG B 35 -2.810 -10.447 -4.336 1.00 1.00 N ATOM 1103 CZ ARG B 35 -3.438 -10.226 -3.180 1.00 1.00 C ATOM 1104 NH1 ARG B 35 -4.125 -9.105 -2.987 1.00 1.00 N ATOM 1105 NH2 ARG B 35 -3.394 -11.141 -2.221 1.00 1.00 N ATOM 0 H ARG B 35 0.128 -8.602 -9.273 1.00 1.00 H new ATOM 0 HA ARG B 35 0.938 -9.383 -6.560 1.00 1.00 H new ATOM 0 HB2 ARG B 35 -0.699 -7.482 -7.064 1.00 1.00 H new ATOM 0 HB3 ARG B 35 -1.826 -8.705 -7.619 1.00 1.00 H new ATOM 0 HG2 ARG B 35 -0.696 -9.294 -4.960 1.00 1.00 H new ATOM 0 HG3 ARG B 35 -1.574 -7.779 -5.016 1.00 1.00 H new ATOM 0 HD2 ARG B 35 -3.598 -8.797 -5.360 1.00 1.00 H new ATOM 0 HD3 ARG B 35 -2.922 -10.044 -6.389 1.00 1.00 H new ATOM 0 HE ARG B 35 -2.321 -11.335 -4.448 1.00 1.00 H new ATOM 0 HH11 ARG B 35 -4.176 -8.404 -3.726 1.00 1.00 H new ATOM 0 HH12 ARG B 35 -4.602 -8.945 -2.100 1.00 1.00 H new ATOM 0 HH21 ARG B 35 -2.881 -12.010 -2.369 1.00 1.00 H new ATOM 0 HH22 ARG B 35 -3.873 -10.975 -1.336 1.00 1.00 H new ATOM 1119 N ILE B 36 0.336 -11.757 -6.738 1.00 1.00 N ATOM 1120 CA ILE B 36 -0.013 -13.169 -6.777 1.00 1.00 C ATOM 1121 C ILE B 36 -1.259 -13.434 -5.946 1.00 1.00 C ATOM 1122 O ILE B 36 -1.516 -12.671 -4.992 1.00 1.00 O ATOM 1123 CB ILE B 36 1.139 -14.063 -6.267 1.00 1.00 C ATOM 1124 CG1 ILE B 36 1.638 -13.576 -4.902 1.00 1.00 C ATOM 1125 CG2 ILE B 36 2.278 -14.085 -7.279 1.00 1.00 C ATOM 1126 CD1 ILE B 36 2.551 -14.558 -4.202 1.00 1.00 C ATOM 1127 OXT ILE B 36 -1.981 -14.403 -6.245 1.00 1.00 O ATOM 0 H ILE B 36 1.087 -11.527 -6.087 1.00 1.00 H new ATOM 0 HA ILE B 36 -0.205 -13.420 -7.820 1.00 1.00 H new ATOM 0 HB ILE B 36 0.762 -15.079 -6.148 1.00 1.00 H new ATOM 0 HG12 ILE B 36 2.167 -12.632 -5.034 1.00 1.00 H new ATOM 0 HG13 ILE B 36 0.779 -13.373 -4.262 1.00 1.00 H new ATOM 0 HG21 ILE B 36 3.083 -14.719 -6.907 1.00 1.00 H new ATOM 0 HG22 ILE B 36 1.914 -14.480 -8.228 1.00 1.00 H new ATOM 0 HG23 ILE B 36 2.653 -13.072 -7.427 1.00 1.00 H new ATOM 0 HD11 ILE B 36 2.863 -14.144 -3.243 1.00 1.00 H new ATOM 0 HD12 ILE B 36 2.019 -15.495 -4.037 1.00 1.00 H new ATOM 0 HD13 ILE B 36 3.429 -14.743 -4.821 1.00 1.00 H new TER 1139 ILE B 36 HETATM 1140 ZN ZN A 244 -4.844 3.622 -4.133 1.00 1.00 ZN HETATM 1141 ZN ZN B 37 7.069 -0.533 -6.574 1.00 1.00 ZN