USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 325 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 212 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 213 ASN : amide:sc= -0.165 K(o=-0.17,f=-1.2) USER MOD Set 2.1: A 195 ASN : amide:sc= -4.08! C(o=-6.8!,f=-9.7!) USER MOD Set 2.2: A 203 ASN : amide:sc= -2.75! C(o=-6.8!,f=-9.4!) USER MOD Single : A 191 SER OG : rot 180:sc= 0 USER MOD Single : A 194 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 198 ASN : amide:sc=-0.00809 K(o=-0.0081,f=-1.7!) USER MOD Single : A 202 THR OG1 : rot -174:sc= 1.03 USER MOD Single : A 216 SER OG : rot 180:sc= 0 USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 219 THR OG1 : rot 180:sc= 0 USER MOD Single : A 220 SER OG : rot -23:sc= -0.614 USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 225 HIS : no HD1:sc= -3.43! C(o=-3.4!,f=-15!) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 LYS NZ :NH3+ 168:sc= -6.74! (180deg=-7.53!) USER MOD Single : A 233 GLN : amide:sc= -2.2! C(o=-2.2!,f=-2.7!) USER MOD Single : A 235 THR OG1 : rot 48:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 18 N CYS A 189 21.894 -5.079 -1.563 1.00 0.00 N ATOM 19 CA CYS A 189 20.613 -4.377 -1.270 1.00 0.00 C ATOM 20 C CYS A 189 20.800 -2.868 -1.419 1.00 0.00 C ATOM 21 O CYS A 189 21.870 -2.338 -1.190 1.00 0.00 O ATOM 22 CB CYS A 189 20.181 -4.689 0.164 1.00 0.00 C ATOM 23 SG CYS A 189 20.075 -6.482 0.393 1.00 0.00 S ATOM 0 HA CYS A 189 19.851 -4.717 -1.971 1.00 0.00 H new ATOM 0 HB2 CYS A 189 20.895 -4.264 0.870 1.00 0.00 H new ATOM 0 HB3 CYS A 189 19.215 -4.228 0.371 1.00 0.00 H new ATOM 28 N ALA A 190 19.762 -2.173 -1.793 1.00 0.00 N ATOM 29 CA ALA A 190 19.863 -0.695 -1.951 1.00 0.00 C ATOM 30 C ALA A 190 18.926 -0.024 -0.947 1.00 0.00 C ATOM 31 O ALA A 190 19.285 0.212 0.191 1.00 0.00 O ATOM 32 CB ALA A 190 19.455 -0.304 -3.374 1.00 0.00 C ATOM 0 H ALA A 190 18.844 -2.567 -1.997 1.00 0.00 H new ATOM 0 HA ALA A 190 20.889 -0.373 -1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 190 19.529 0.777 -3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 190 20.117 -0.791 -4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 190 18.428 -0.619 -3.558 1.00 0.00 H new ATOM 38 N SER A 191 17.726 0.278 -1.355 1.00 0.00 N ATOM 39 CA SER A 191 16.763 0.928 -0.425 1.00 0.00 C ATOM 40 C SER A 191 16.112 -0.139 0.460 1.00 0.00 C ATOM 41 O SER A 191 15.310 0.163 1.322 1.00 0.00 O ATOM 42 CB SER A 191 15.681 1.647 -1.231 1.00 0.00 C ATOM 43 OG SER A 191 14.760 0.691 -1.741 1.00 0.00 O ATOM 0 H SER A 191 17.370 0.102 -2.295 1.00 0.00 H new ATOM 0 HA SER A 191 17.291 1.649 0.199 1.00 0.00 H new ATOM 0 HB2 SER A 191 15.162 2.369 -0.601 1.00 0.00 H new ATOM 0 HB3 SER A 191 16.133 2.206 -2.050 1.00 0.00 H new ATOM 0 HG SER A 191 14.064 1.150 -2.257 1.00 0.00 H new ATOM 49 N CYS A 192 16.449 -1.384 0.255 1.00 0.00 N ATOM 50 CA CYS A 192 15.844 -2.464 1.086 1.00 0.00 C ATOM 51 C CYS A 192 16.955 -3.282 1.753 1.00 0.00 C ATOM 52 O CYS A 192 17.202 -4.415 1.392 1.00 0.00 O ATOM 53 CB CYS A 192 15.000 -3.382 0.197 1.00 0.00 C ATOM 54 SG CYS A 192 15.497 -3.178 -1.532 1.00 0.00 S ATOM 0 H CYS A 192 17.115 -1.699 -0.450 1.00 0.00 H new ATOM 0 HA CYS A 192 15.211 -2.018 1.853 1.00 0.00 H new ATOM 0 HB2 CYS A 192 15.129 -4.420 0.503 1.00 0.00 H new ATOM 0 HB3 CYS A 192 13.942 -3.145 0.312 1.00 0.00 H new ATOM 59 N PRO A 193 17.613 -2.712 2.728 1.00 0.00 N ATOM 60 CA PRO A 193 18.709 -3.403 3.460 1.00 0.00 C ATOM 61 C PRO A 193 18.170 -4.516 4.361 1.00 0.00 C ATOM 62 O PRO A 193 18.548 -5.664 4.238 1.00 0.00 O ATOM 63 CB PRO A 193 19.362 -2.299 4.294 1.00 0.00 C ATOM 64 CG PRO A 193 18.335 -1.220 4.426 1.00 0.00 C ATOM 65 CD PRO A 193 17.382 -1.351 3.235 1.00 0.00 C ATOM 0 HA PRO A 193 19.410 -3.888 2.780 1.00 0.00 H new ATOM 0 HB2 PRO A 193 19.661 -2.675 5.273 1.00 0.00 H new ATOM 0 HB3 PRO A 193 20.262 -1.923 3.808 1.00 0.00 H new ATOM 0 HG2 PRO A 193 17.792 -1.319 5.366 1.00 0.00 H new ATOM 0 HG3 PRO A 193 18.808 -0.238 4.434 1.00 0.00 H new ATOM 0 HD2 PRO A 193 16.345 -1.211 3.539 1.00 0.00 H new ATOM 0 HD3 PRO A 193 17.594 -0.602 2.472 1.00 0.00 H new ATOM 73 N ASN A 194 17.279 -4.188 5.255 1.00 0.00 N ATOM 74 CA ASN A 194 16.706 -5.232 6.148 1.00 0.00 C ATOM 75 C ASN A 194 15.478 -5.846 5.473 1.00 0.00 C ATOM 76 O ASN A 194 14.845 -6.740 6.002 1.00 0.00 O ATOM 77 CB ASN A 194 16.295 -4.598 7.478 1.00 0.00 C ATOM 78 CG ASN A 194 17.521 -3.976 8.149 1.00 0.00 C ATOM 79 OD1 ASN A 194 18.596 -4.542 8.122 1.00 0.00 O ATOM 80 ND2 ASN A 194 17.405 -2.827 8.755 1.00 0.00 N ATOM 0 H ASN A 194 16.924 -3.244 5.405 1.00 0.00 H new ATOM 0 HA ASN A 194 17.450 -6.007 6.334 1.00 0.00 H new ATOM 0 HB2 ASN A 194 15.534 -3.836 7.310 1.00 0.00 H new ATOM 0 HB3 ASN A 194 15.853 -5.351 8.131 1.00 0.00 H new ATOM 0 HD21 ASN A 194 18.216 -2.404 9.206 1.00 0.00 H new ATOM 0 HD22 ASN A 194 16.503 -2.351 8.778 1.00 0.00 H new ATOM 87 N ASN A 195 15.137 -5.372 4.306 1.00 0.00 N ATOM 88 CA ASN A 195 13.955 -5.923 3.589 1.00 0.00 C ATOM 89 C ASN A 195 14.412 -6.910 2.514 1.00 0.00 C ATOM 90 O ASN A 195 13.626 -7.378 1.716 1.00 0.00 O ATOM 91 CB ASN A 195 13.176 -4.781 2.935 1.00 0.00 C ATOM 92 CG ASN A 195 12.595 -3.875 4.019 1.00 0.00 C ATOM 93 OD1 ASN A 195 12.820 -2.681 4.016 1.00 0.00 O ATOM 94 ND2 ASN A 195 11.850 -4.399 4.952 1.00 0.00 N ATOM 0 H ASN A 195 15.629 -4.624 3.817 1.00 0.00 H new ATOM 0 HA ASN A 195 13.314 -6.441 4.302 1.00 0.00 H new ATOM 0 HB2 ASN A 195 13.832 -4.208 2.280 1.00 0.00 H new ATOM 0 HB3 ASN A 195 12.375 -5.182 2.313 1.00 0.00 H new ATOM 0 HD21 ASN A 195 11.454 -3.806 5.682 1.00 0.00 H new ATOM 0 HD22 ASN A 195 11.663 -5.402 4.952 1.00 0.00 H new ATOM 101 N CYS A 196 15.677 -7.230 2.480 1.00 0.00 N ATOM 102 CA CYS A 196 16.168 -8.182 1.446 1.00 0.00 C ATOM 103 C CYS A 196 15.774 -9.609 1.835 1.00 0.00 C ATOM 104 O CYS A 196 16.244 -10.151 2.815 1.00 0.00 O ATOM 105 CB CYS A 196 17.692 -8.087 1.338 1.00 0.00 C ATOM 106 SG CYS A 196 18.133 -6.911 0.035 1.00 0.00 S ATOM 0 H CYS A 196 16.388 -6.875 3.120 1.00 0.00 H new ATOM 0 HA CYS A 196 15.721 -7.929 0.485 1.00 0.00 H new ATOM 0 HB2 CYS A 196 18.115 -7.767 2.290 1.00 0.00 H new ATOM 0 HB3 CYS A 196 18.113 -9.067 1.115 1.00 0.00 H new ATOM 111 N GLU A 197 14.914 -10.217 1.069 1.00 0.00 N ATOM 112 CA GLU A 197 14.480 -11.608 1.376 1.00 0.00 C ATOM 113 C GLU A 197 14.433 -12.412 0.076 1.00 0.00 C ATOM 114 O GLU A 197 14.770 -11.915 -0.980 1.00 0.00 O ATOM 115 CB GLU A 197 13.087 -11.580 2.008 1.00 0.00 C ATOM 116 CG GLU A 197 13.111 -10.701 3.260 1.00 0.00 C ATOM 117 CD GLU A 197 11.741 -10.743 3.939 1.00 0.00 C ATOM 118 OE1 GLU A 197 10.818 -10.153 3.403 1.00 0.00 O ATOM 119 OE2 GLU A 197 11.640 -11.360 4.987 1.00 0.00 O ATOM 0 H GLU A 197 14.490 -9.807 0.237 1.00 0.00 H new ATOM 0 HA GLU A 197 15.182 -12.069 2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 197 12.360 -11.194 1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 197 12.773 -12.591 2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 197 13.881 -11.051 3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 197 13.365 -9.675 2.992 1.00 0.00 H new ATOM 127 N ASN A 198 14.010 -13.644 0.135 1.00 0.00 N ATOM 128 CA ASN A 198 13.940 -14.455 -1.112 1.00 0.00 C ATOM 129 C ASN A 198 13.201 -13.653 -2.184 1.00 0.00 C ATOM 130 O ASN A 198 13.475 -13.767 -3.362 1.00 0.00 O ATOM 131 CB ASN A 198 13.190 -15.760 -0.838 1.00 0.00 C ATOM 132 CG ASN A 198 14.007 -16.629 0.118 1.00 0.00 C ATOM 133 OD1 ASN A 198 15.179 -16.385 0.327 1.00 0.00 O ATOM 134 ND2 ASN A 198 13.437 -17.643 0.710 1.00 0.00 N ATOM 0 H ASN A 198 13.712 -14.121 0.986 1.00 0.00 H new ATOM 0 HA ASN A 198 14.948 -14.690 -1.455 1.00 0.00 H new ATOM 0 HB2 ASN A 198 12.213 -15.546 -0.406 1.00 0.00 H new ATOM 0 HB3 ASN A 198 13.015 -16.294 -1.772 1.00 0.00 H new ATOM 0 HD21 ASN A 198 13.975 -18.230 1.347 1.00 0.00 H new ATOM 0 HD22 ASN A 198 12.453 -17.849 0.535 1.00 0.00 H new ATOM 141 N GLY A 199 12.267 -12.834 -1.781 1.00 0.00 N ATOM 142 CA GLY A 199 11.512 -12.015 -2.770 1.00 0.00 C ATOM 143 C GLY A 199 12.289 -10.729 -3.061 1.00 0.00 C ATOM 144 O GLY A 199 11.849 -9.884 -3.814 1.00 0.00 O ATOM 0 H GLY A 199 11.995 -12.697 -0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 199 11.364 -12.580 -3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 199 10.522 -11.775 -2.381 1.00 0.00 H new ATOM 148 N LEU A 200 13.442 -10.579 -2.469 1.00 0.00 N ATOM 149 CA LEU A 200 14.253 -9.352 -2.708 1.00 0.00 C ATOM 150 C LEU A 200 13.409 -8.107 -2.406 1.00 0.00 C ATOM 151 O LEU A 200 12.457 -7.808 -3.097 1.00 0.00 O ATOM 152 CB LEU A 200 14.696 -9.327 -4.172 1.00 0.00 C ATOM 153 CG LEU A 200 15.715 -8.208 -4.380 1.00 0.00 C ATOM 154 CD1 LEU A 200 17.009 -8.551 -3.639 1.00 0.00 C ATOM 155 CD2 LEU A 200 16.008 -8.064 -5.875 1.00 0.00 C ATOM 0 H LEU A 200 13.858 -11.255 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 200 15.127 -9.357 -2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 200 15.134 -10.287 -4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 200 13.834 -9.173 -4.821 1.00 0.00 H new ATOM 0 HG LEU A 200 15.313 -7.272 -3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 200 17.736 -7.753 -3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 200 16.801 -8.659 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 200 17.413 -9.486 -4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 200 16.735 -7.266 -6.028 1.00 0.00 H new ATOM 0 HD22 LEU A 200 16.411 -9.001 -6.259 1.00 0.00 H new ATOM 0 HD23 LEU A 200 15.087 -7.822 -6.405 1.00 0.00 H new ATOM 167 N CYS A 201 13.752 -7.381 -1.374 1.00 0.00 N ATOM 168 CA CYS A 201 12.966 -6.161 -1.026 1.00 0.00 C ATOM 169 C CYS A 201 11.479 -6.519 -0.988 1.00 0.00 C ATOM 170 O CYS A 201 10.809 -6.528 -2.002 1.00 0.00 O ATOM 171 CB CYS A 201 13.203 -5.079 -2.085 1.00 0.00 C ATOM 172 SG CYS A 201 14.978 -4.924 -2.407 1.00 0.00 S ATOM 0 H CYS A 201 14.541 -7.580 -0.759 1.00 0.00 H new ATOM 0 HA CYS A 201 13.281 -5.787 -0.052 1.00 0.00 H new ATOM 0 HB2 CYS A 201 12.677 -5.335 -3.005 1.00 0.00 H new ATOM 0 HB3 CYS A 201 12.801 -4.126 -1.742 1.00 0.00 H new ATOM 177 N THR A 202 10.959 -6.831 0.169 1.00 0.00 N ATOM 178 CA THR A 202 9.517 -7.207 0.258 1.00 0.00 C ATOM 179 C THR A 202 8.722 -6.111 0.973 1.00 0.00 C ATOM 180 O THR A 202 7.554 -6.273 1.263 1.00 0.00 O ATOM 181 CB THR A 202 9.383 -8.516 1.041 1.00 0.00 C ATOM 182 OG1 THR A 202 9.684 -8.279 2.409 1.00 0.00 O ATOM 183 CG2 THR A 202 10.357 -9.551 0.477 1.00 0.00 C ATOM 0 H THR A 202 11.467 -6.842 1.053 1.00 0.00 H new ATOM 0 HA THR A 202 9.123 -7.331 -0.751 1.00 0.00 H new ATOM 0 HB THR A 202 8.364 -8.891 0.951 1.00 0.00 H new ATOM 0 HG1 THR A 202 9.684 -9.129 2.896 1.00 0.00 H new ATOM 0 HG21 THR A 202 10.261 -10.483 1.035 1.00 0.00 H new ATOM 0 HG22 THR A 202 10.128 -9.732 -0.573 1.00 0.00 H new ATOM 0 HG23 THR A 202 11.377 -9.178 0.567 1.00 0.00 H new ATOM 191 N ASN A 203 9.337 -4.999 1.267 1.00 0.00 N ATOM 192 CA ASN A 203 8.596 -3.912 1.969 1.00 0.00 C ATOM 193 C ASN A 203 7.970 -2.958 0.948 1.00 0.00 C ATOM 194 O ASN A 203 7.349 -1.977 1.306 1.00 0.00 O ATOM 195 CB ASN A 203 9.561 -3.138 2.867 1.00 0.00 C ATOM 196 CG ASN A 203 10.507 -2.306 2.001 1.00 0.00 C ATOM 197 OD1 ASN A 203 10.595 -2.512 0.807 1.00 0.00 O ATOM 198 ND2 ASN A 203 11.228 -1.370 2.556 1.00 0.00 N ATOM 0 H ASN A 203 10.314 -4.796 1.054 1.00 0.00 H new ATOM 0 HA ASN A 203 7.804 -4.353 2.575 1.00 0.00 H new ATOM 0 HB2 ASN A 203 9.004 -2.489 3.543 1.00 0.00 H new ATOM 0 HB3 ASN A 203 10.132 -3.829 3.487 1.00 0.00 H new ATOM 0 HD21 ASN A 203 11.865 -0.812 1.987 1.00 0.00 H new ATOM 0 HD22 ASN A 203 11.155 -1.197 3.558 1.00 0.00 H new ATOM 239 N PHE A 207 2.065 -3.345 -4.729 1.00 0.00 N ATOM 240 CA PHE A 207 1.731 -2.011 -5.301 1.00 0.00 C ATOM 241 C PHE A 207 2.421 -0.904 -4.508 1.00 0.00 C ATOM 242 O PHE A 207 2.813 -1.087 -3.372 1.00 0.00 O ATOM 243 CB PHE A 207 0.223 -1.794 -5.220 1.00 0.00 C ATOM 244 CG PHE A 207 -0.468 -2.525 -6.338 1.00 0.00 C ATOM 245 CD1 PHE A 207 -0.358 -2.052 -7.647 1.00 0.00 C ATOM 246 CD2 PHE A 207 -1.226 -3.667 -6.063 1.00 0.00 C ATOM 247 CE1 PHE A 207 -1.010 -2.723 -8.689 1.00 0.00 C ATOM 248 CE2 PHE A 207 -1.876 -4.341 -7.102 1.00 0.00 C ATOM 249 CZ PHE A 207 -1.768 -3.869 -8.417 1.00 0.00 C ATOM 0 HA PHE A 207 2.069 -1.980 -6.337 1.00 0.00 H new ATOM 0 HB2 PHE A 207 -0.151 -2.147 -4.259 1.00 0.00 H new ATOM 0 HB3 PHE A 207 -0.002 -0.729 -5.278 1.00 0.00 H new ATOM 0 HD1 PHE A 207 0.229 -1.170 -7.856 1.00 0.00 H new ATOM 0 HD2 PHE A 207 -1.310 -4.029 -5.049 1.00 0.00 H new ATOM 0 HE1 PHE A 207 -0.928 -2.357 -9.702 1.00 0.00 H new ATOM 0 HE2 PHE A 207 -2.461 -5.224 -6.891 1.00 0.00 H new ATOM 0 HZ PHE A 207 -2.269 -4.389 -9.220 1.00 0.00 H new ATOM 259 N GLU A 208 2.549 0.252 -5.096 1.00 0.00 N ATOM 260 CA GLU A 208 3.186 1.388 -4.382 1.00 0.00 C ATOM 261 C GLU A 208 2.291 2.620 -4.524 1.00 0.00 C ATOM 262 O GLU A 208 1.676 2.832 -5.549 1.00 0.00 O ATOM 263 CB GLU A 208 4.561 1.675 -4.989 1.00 0.00 C ATOM 264 CG GLU A 208 5.455 0.444 -4.835 1.00 0.00 C ATOM 265 CD GLU A 208 6.861 0.768 -5.345 1.00 0.00 C ATOM 266 OE1 GLU A 208 7.738 -0.061 -5.170 1.00 0.00 O ATOM 267 OE2 GLU A 208 7.035 1.842 -5.897 1.00 0.00 O ATOM 0 H GLU A 208 2.238 0.458 -6.045 1.00 0.00 H new ATOM 0 HA GLU A 208 3.311 1.140 -3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 208 4.458 1.933 -6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 208 5.017 2.533 -4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 208 5.497 0.140 -3.789 1.00 0.00 H new ATOM 0 HG3 GLU A 208 5.038 -0.394 -5.394 1.00 0.00 H new ATOM 275 N ASP A 209 2.203 3.433 -3.507 1.00 0.00 N ATOM 276 CA ASP A 209 1.337 4.640 -3.606 1.00 0.00 C ATOM 277 C ASP A 209 2.076 5.739 -4.368 1.00 0.00 C ATOM 278 O ASP A 209 3.038 6.304 -3.888 1.00 0.00 O ATOM 279 CB ASP A 209 0.985 5.145 -2.204 1.00 0.00 C ATOM 280 CG ASP A 209 0.097 4.118 -1.499 1.00 0.00 C ATOM 281 OD1 ASP A 209 -0.442 3.263 -2.183 1.00 0.00 O ATOM 282 OD2 ASP A 209 -0.028 4.203 -0.289 1.00 0.00 O ATOM 0 H ASP A 209 2.690 3.315 -2.618 1.00 0.00 H new ATOM 0 HA ASP A 209 0.421 4.379 -4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 209 1.895 5.312 -1.627 1.00 0.00 H new ATOM 0 HB3 ASP A 209 0.469 6.103 -2.270 1.00 0.00 H new ATOM 288 N LEU A 210 1.623 6.054 -5.547 1.00 0.00 N ATOM 289 CA LEU A 210 2.283 7.128 -6.336 1.00 0.00 C ATOM 290 C LEU A 210 2.137 8.452 -5.582 1.00 0.00 C ATOM 291 O LEU A 210 2.962 9.338 -5.692 1.00 0.00 O ATOM 292 CB LEU A 210 1.622 7.224 -7.713 1.00 0.00 C ATOM 293 CG LEU A 210 2.164 6.117 -8.620 1.00 0.00 C ATOM 294 CD1 LEU A 210 1.911 4.753 -7.975 1.00 0.00 C ATOM 295 CD2 LEU A 210 1.452 6.176 -9.974 1.00 0.00 C ATOM 0 H LEU A 210 0.822 5.613 -5.999 1.00 0.00 H new ATOM 0 HA LEU A 210 3.341 6.904 -6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 210 0.540 7.131 -7.616 1.00 0.00 H new ATOM 0 HB3 LEU A 210 1.820 8.200 -8.155 1.00 0.00 H new ATOM 0 HG LEU A 210 3.236 6.258 -8.761 1.00 0.00 H new ATOM 0 HD11 LEU A 210 2.298 3.967 -8.623 1.00 0.00 H new ATOM 0 HD12 LEU A 210 2.415 4.708 -7.009 1.00 0.00 H new ATOM 0 HD13 LEU A 210 0.840 4.611 -7.832 1.00 0.00 H new ATOM 0 HD21 LEU A 210 1.836 5.388 -10.622 1.00 0.00 H new ATOM 0 HD22 LEU A 210 0.381 6.036 -9.828 1.00 0.00 H new ATOM 0 HD23 LEU A 210 1.631 7.146 -10.437 1.00 0.00 H new ATOM 307 N LEU A 211 1.091 8.588 -4.809 1.00 0.00 N ATOM 308 CA LEU A 211 0.884 9.847 -4.036 1.00 0.00 C ATOM 309 C LEU A 211 1.071 9.561 -2.544 1.00 0.00 C ATOM 310 O LEU A 211 0.658 8.531 -2.047 1.00 0.00 O ATOM 311 CB LEU A 211 -0.534 10.371 -4.279 1.00 0.00 C ATOM 312 CG LEU A 211 -0.755 10.565 -5.778 1.00 0.00 C ATOM 313 CD1 LEU A 211 -2.195 11.015 -6.031 1.00 0.00 C ATOM 314 CD2 LEU A 211 0.209 11.633 -6.303 1.00 0.00 C ATOM 0 H LEU A 211 0.369 7.879 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 211 1.607 10.596 -4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.266 9.669 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -0.679 11.315 -3.754 1.00 0.00 H new ATOM 0 HG LEU A 211 -0.573 9.622 -6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.350 11.153 -7.101 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.884 10.257 -5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.378 11.957 -5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.051 11.771 -7.373 1.00 0.00 H new ATOM 0 HD22 LEU A 211 0.027 12.574 -5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.236 11.315 -6.126 1.00 0.00 H new ATOM 326 N SER A 212 1.683 10.461 -1.824 1.00 0.00 N ATOM 327 CA SER A 212 1.886 10.230 -0.367 1.00 0.00 C ATOM 328 C SER A 212 0.612 10.610 0.386 1.00 0.00 C ATOM 329 O SER A 212 0.526 10.475 1.591 1.00 0.00 O ATOM 330 CB SER A 212 3.047 11.089 0.132 1.00 0.00 C ATOM 331 OG SER A 212 2.611 12.434 0.270 1.00 0.00 O ATOM 0 H SER A 212 2.050 11.343 -2.181 1.00 0.00 H new ATOM 0 HA SER A 212 2.115 9.178 -0.194 1.00 0.00 H new ATOM 0 HB2 SER A 212 3.408 10.712 1.089 1.00 0.00 H new ATOM 0 HB3 SER A 212 3.881 11.035 -0.568 1.00 0.00 H new ATOM 0 HG SER A 212 3.353 12.987 0.591 1.00 0.00 H new ATOM 337 N ASN A 213 -0.381 11.079 -0.317 1.00 0.00 N ATOM 338 CA ASN A 213 -1.651 11.464 0.352 1.00 0.00 C ATOM 339 C ASN A 213 -2.718 10.413 0.043 1.00 0.00 C ATOM 340 O ASN A 213 -3.901 10.651 0.186 1.00 0.00 O ATOM 341 CB ASN A 213 -2.102 12.829 -0.167 1.00 0.00 C ATOM 342 CG ASN A 213 -1.042 13.876 0.177 1.00 0.00 C ATOM 343 OD1 ASN A 213 0.056 13.839 -0.342 1.00 0.00 O ATOM 344 ND2 ASN A 213 -1.325 14.815 1.037 1.00 0.00 N ATOM 0 H ASN A 213 -0.366 11.212 -1.328 1.00 0.00 H new ATOM 0 HA ASN A 213 -1.501 11.522 1.430 1.00 0.00 H new ATOM 0 HB2 ASN A 213 -2.253 12.789 -1.246 1.00 0.00 H new ATOM 0 HB3 ASN A 213 -3.058 13.103 0.279 1.00 0.00 H new ATOM 0 HD21 ASN A 213 -0.625 15.518 1.274 1.00 0.00 H new ATOM 0 HD22 ASN A 213 -2.247 14.846 1.473 1.00 0.00 H new ATOM 351 N CYS A 214 -2.306 9.252 -0.391 1.00 0.00 N ATOM 352 CA CYS A 214 -3.291 8.186 -0.723 1.00 0.00 C ATOM 353 C CYS A 214 -4.207 7.920 0.467 1.00 0.00 C ATOM 354 O CYS A 214 -5.411 7.835 0.322 1.00 0.00 O ATOM 355 CB CYS A 214 -2.545 6.904 -1.086 1.00 0.00 C ATOM 356 SG CYS A 214 -1.928 7.050 -2.776 1.00 0.00 S ATOM 0 H CYS A 214 -1.328 8.997 -0.530 1.00 0.00 H new ATOM 0 HA CYS A 214 -3.897 8.515 -1.567 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -1.718 6.740 -0.395 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -3.209 6.044 -0.999 1.00 0.00 H new ATOM 361 N GLU A 215 -3.662 7.796 1.643 1.00 0.00 N ATOM 362 CA GLU A 215 -4.533 7.547 2.819 1.00 0.00 C ATOM 363 C GLU A 215 -5.529 8.700 2.914 1.00 0.00 C ATOM 364 O GLU A 215 -6.688 8.514 3.227 1.00 0.00 O ATOM 365 CB GLU A 215 -3.680 7.487 4.087 1.00 0.00 C ATOM 366 CG GLU A 215 -4.540 7.014 5.260 1.00 0.00 C ATOM 367 CD GLU A 215 -3.719 7.067 6.550 1.00 0.00 C ATOM 368 OE1 GLU A 215 -2.575 7.487 6.484 1.00 0.00 O ATOM 369 OE2 GLU A 215 -4.247 6.684 7.581 1.00 0.00 O ATOM 0 H GLU A 215 -2.663 7.856 1.839 1.00 0.00 H new ATOM 0 HA GLU A 215 -5.061 6.599 2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -2.840 6.808 3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -3.261 8.470 4.303 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -5.424 7.644 5.353 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -4.890 5.997 5.081 1.00 0.00 H new ATOM 377 N SER A 216 -5.081 9.890 2.625 1.00 0.00 N ATOM 378 CA SER A 216 -5.990 11.066 2.673 1.00 0.00 C ATOM 379 C SER A 216 -7.044 10.941 1.569 1.00 0.00 C ATOM 380 O SER A 216 -8.209 11.219 1.773 1.00 0.00 O ATOM 381 CB SER A 216 -5.174 12.340 2.451 1.00 0.00 C ATOM 382 OG SER A 216 -5.990 13.474 2.719 1.00 0.00 O ATOM 0 H SER A 216 -4.119 10.098 2.356 1.00 0.00 H new ATOM 0 HA SER A 216 -6.484 11.108 3.644 1.00 0.00 H new ATOM 0 HB2 SER A 216 -4.300 12.344 3.103 1.00 0.00 H new ATOM 0 HB3 SER A 216 -4.807 12.376 1.425 1.00 0.00 H new ATOM 0 HG SER A 216 -5.469 14.292 2.579 1.00 0.00 H new ATOM 388 N LEU A 217 -6.640 10.527 0.397 1.00 0.00 N ATOM 389 CA LEU A 217 -7.611 10.386 -0.726 1.00 0.00 C ATOM 390 C LEU A 217 -8.605 9.265 -0.423 1.00 0.00 C ATOM 391 O LEU A 217 -9.768 9.348 -0.764 1.00 0.00 O ATOM 392 CB LEU A 217 -6.859 10.060 -2.019 1.00 0.00 C ATOM 393 CG LEU A 217 -5.945 11.227 -2.395 1.00 0.00 C ATOM 394 CD1 LEU A 217 -5.197 10.889 -3.686 1.00 0.00 C ATOM 395 CD2 LEU A 217 -6.790 12.484 -2.615 1.00 0.00 C ATOM 0 H LEU A 217 -5.677 10.280 0.169 1.00 0.00 H new ATOM 0 HA LEU A 217 -8.153 11.324 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.270 9.152 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -7.568 9.867 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 217 -5.229 11.403 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -4.545 11.719 -3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -4.598 9.991 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.915 10.716 -4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -6.140 13.317 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -7.503 12.307 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -7.329 12.725 -1.699 1.00 0.00 H new ATOM 407 N LYS A 218 -8.160 8.215 0.207 1.00 0.00 N ATOM 408 CA LYS A 218 -9.090 7.094 0.518 1.00 0.00 C ATOM 409 C LYS A 218 -10.258 7.638 1.340 1.00 0.00 C ATOM 410 O LYS A 218 -11.408 7.339 1.083 1.00 0.00 O ATOM 411 CB LYS A 218 -8.342 6.029 1.327 1.00 0.00 C ATOM 412 CG LYS A 218 -8.943 4.642 1.060 1.00 0.00 C ATOM 413 CD LYS A 218 -10.183 4.433 1.931 1.00 0.00 C ATOM 414 CE LYS A 218 -9.779 4.423 3.408 1.00 0.00 C ATOM 415 NZ LYS A 218 -10.521 3.343 4.117 1.00 0.00 N ATOM 0 H LYS A 218 -7.198 8.084 0.519 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.465 6.649 -0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -7.286 6.033 1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -8.402 6.261 2.390 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -9.208 4.548 0.007 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -8.204 3.869 1.273 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -10.907 5.227 1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -10.668 3.493 1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -8.705 4.263 3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -9.998 5.389 3.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -10.248 3.335 5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -11.544 3.515 4.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -10.290 2.424 3.688 1.00 0.00 H new ATOM 429 N THR A 219 -9.970 8.443 2.326 1.00 0.00 N ATOM 430 CA THR A 219 -11.058 9.017 3.165 1.00 0.00 C ATOM 431 C THR A 219 -11.892 9.997 2.333 1.00 0.00 C ATOM 432 O THR A 219 -13.097 10.067 2.467 1.00 0.00 O ATOM 433 CB THR A 219 -10.442 9.758 4.354 1.00 0.00 C ATOM 434 OG1 THR A 219 -9.554 8.887 5.042 1.00 0.00 O ATOM 435 CG2 THR A 219 -11.552 10.211 5.306 1.00 0.00 C ATOM 0 H THR A 219 -9.026 8.728 2.587 1.00 0.00 H new ATOM 0 HA THR A 219 -11.700 8.213 3.524 1.00 0.00 H new ATOM 0 HB THR A 219 -9.895 10.630 3.996 1.00 0.00 H new ATOM 0 HG1 THR A 219 -9.157 9.359 5.803 1.00 0.00 H new ATOM 0 HG21 THR A 219 -11.112 10.739 6.152 1.00 0.00 H new ATOM 0 HG22 THR A 219 -12.235 10.877 4.778 1.00 0.00 H new ATOM 0 HG23 THR A 219 -12.100 9.340 5.666 1.00 0.00 H new ATOM 443 N SER A 220 -11.261 10.761 1.482 1.00 0.00 N ATOM 444 CA SER A 220 -12.024 11.741 0.655 1.00 0.00 C ATOM 445 C SER A 220 -12.612 11.042 -0.569 1.00 0.00 C ATOM 446 O SER A 220 -13.505 11.552 -1.215 1.00 0.00 O ATOM 447 CB SER A 220 -11.087 12.861 0.199 1.00 0.00 C ATOM 448 OG SER A 220 -10.187 12.349 -0.774 1.00 0.00 O ATOM 0 H SER A 220 -10.253 10.749 1.324 1.00 0.00 H new ATOM 0 HA SER A 220 -12.834 12.160 1.253 1.00 0.00 H new ATOM 0 HB2 SER A 220 -11.663 13.686 -0.220 1.00 0.00 H new ATOM 0 HB3 SER A 220 -10.534 13.258 1.050 1.00 0.00 H new ATOM 0 HG SER A 220 -10.112 11.377 -0.671 1.00 0.00 H new ATOM 454 N ALA A 221 -12.124 9.878 -0.897 1.00 0.00 N ATOM 455 CA ALA A 221 -12.664 9.153 -2.080 1.00 0.00 C ATOM 456 C ALA A 221 -12.954 7.700 -1.696 1.00 0.00 C ATOM 457 O ALA A 221 -14.070 7.348 -1.367 1.00 0.00 O ATOM 458 CB ALA A 221 -11.644 9.201 -3.223 1.00 0.00 C ATOM 0 H ALA A 221 -11.375 9.398 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 221 -13.588 9.628 -2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 221 -12.041 8.670 -4.088 1.00 0.00 H new ATOM 0 HB2 ALA A 221 -11.449 10.239 -3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 221 -10.716 8.729 -2.902 1.00 0.00 H new ATOM 464 N GLY A 222 -11.961 6.856 -1.731 1.00 0.00 N ATOM 465 CA GLY A 222 -12.182 5.430 -1.366 1.00 0.00 C ATOM 466 C GLY A 222 -11.257 4.542 -2.198 1.00 0.00 C ATOM 467 O GLY A 222 -11.050 4.773 -3.373 1.00 0.00 O ATOM 0 H GLY A 222 -11.005 7.093 -1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -11.988 5.281 -0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -13.222 5.155 -1.542 1.00 0.00 H new ATOM 471 N CYS A 223 -10.699 3.528 -1.601 1.00 0.00 N ATOM 472 CA CYS A 223 -9.789 2.625 -2.359 1.00 0.00 C ATOM 473 C CYS A 223 -10.549 2.020 -3.544 1.00 0.00 C ATOM 474 O CYS A 223 -9.993 1.800 -4.601 1.00 0.00 O ATOM 475 CB CYS A 223 -9.284 1.524 -1.421 1.00 0.00 C ATOM 476 SG CYS A 223 -9.638 -0.111 -2.114 1.00 0.00 S ATOM 0 H CYS A 223 -10.833 3.285 -0.620 1.00 0.00 H new ATOM 0 HA CYS A 223 -8.934 3.183 -2.742 1.00 0.00 H new ATOM 0 HB2 CYS A 223 -8.211 1.635 -1.265 1.00 0.00 H new ATOM 0 HB3 CYS A 223 -9.760 1.623 -0.445 1.00 0.00 H new ATOM 481 N LYS A 224 -11.819 1.767 -3.383 1.00 0.00 N ATOM 482 CA LYS A 224 -12.616 1.198 -4.508 1.00 0.00 C ATOM 483 C LYS A 224 -12.631 2.189 -5.676 1.00 0.00 C ATOM 484 O LYS A 224 -12.791 1.814 -6.820 1.00 0.00 O ATOM 485 CB LYS A 224 -14.051 0.931 -4.043 1.00 0.00 C ATOM 486 CG LYS A 224 -14.050 -0.185 -2.995 1.00 0.00 C ATOM 487 CD LYS A 224 -15.491 -0.567 -2.646 1.00 0.00 C ATOM 488 CE LYS A 224 -15.479 -1.640 -1.556 1.00 0.00 C ATOM 489 NZ LYS A 224 -16.459 -2.710 -1.898 1.00 0.00 N ATOM 0 H LYS A 224 -12.340 1.930 -2.521 1.00 0.00 H new ATOM 0 HA LYS A 224 -12.164 0.261 -4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 224 -14.483 1.839 -3.622 1.00 0.00 H new ATOM 0 HB3 LYS A 224 -14.672 0.646 -4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 224 -13.515 -1.055 -3.377 1.00 0.00 H new ATOM 0 HG3 LYS A 224 -13.524 0.145 -2.099 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -16.039 0.310 -2.303 1.00 0.00 H new ATOM 0 HD3 LYS A 224 -16.006 -0.938 -3.532 1.00 0.00 H new ATOM 0 HE2 LYS A 224 -14.480 -2.065 -1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 224 -15.730 -1.197 -0.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 -16.450 -3.439 -1.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 -17.412 -2.299 -1.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 -16.200 -3.140 -2.809 1.00 0.00 H new ATOM 503 N HIS A 225 -12.478 3.455 -5.392 1.00 0.00 N ATOM 504 CA HIS A 225 -12.498 4.477 -6.480 1.00 0.00 C ATOM 505 C HIS A 225 -11.400 4.174 -7.505 1.00 0.00 C ATOM 506 O HIS A 225 -10.320 3.731 -7.164 1.00 0.00 O ATOM 507 CB HIS A 225 -12.256 5.858 -5.868 1.00 0.00 C ATOM 508 CG HIS A 225 -12.577 6.924 -6.878 1.00 0.00 C ATOM 509 ND1 HIS A 225 -12.078 6.893 -8.171 1.00 0.00 N ATOM 510 CD2 HIS A 225 -13.337 8.066 -6.796 1.00 0.00 C ATOM 511 CE1 HIS A 225 -12.538 7.985 -8.810 1.00 0.00 C ATOM 512 NE2 HIS A 225 -13.310 8.730 -8.016 1.00 0.00 N ATOM 0 H HIS A 225 -12.340 3.826 -4.452 1.00 0.00 H new ATOM 0 HA HIS A 225 -13.466 4.455 -6.981 1.00 0.00 H new ATOM 0 HB2 HIS A 225 -12.875 5.986 -4.980 1.00 0.00 H new ATOM 0 HB3 HIS A 225 -11.218 5.948 -5.548 1.00 0.00 H new ATOM 0 HD2 HIS A 225 -13.873 8.396 -5.918 1.00 0.00 H new ATOM 0 HE1 HIS A 225 -12.311 8.228 -9.837 1.00 0.00 H new ATOM 0 HE2 HIS A 225 -13.781 9.603 -8.255 1.00 0.00 H new ATOM 521 N GLU A 226 -11.671 4.407 -8.762 1.00 0.00 N ATOM 522 CA GLU A 226 -10.651 4.132 -9.816 1.00 0.00 C ATOM 523 C GLU A 226 -9.433 5.040 -9.617 1.00 0.00 C ATOM 524 O GLU A 226 -8.307 4.635 -9.827 1.00 0.00 O ATOM 525 CB GLU A 226 -11.261 4.399 -11.194 1.00 0.00 C ATOM 526 CG GLU A 226 -12.391 3.402 -11.457 1.00 0.00 C ATOM 527 CD GLU A 226 -11.828 1.980 -11.484 1.00 0.00 C ATOM 528 OE1 GLU A 226 -10.625 1.843 -11.633 1.00 0.00 O ATOM 529 OE2 GLU A 226 -12.610 1.053 -11.359 1.00 0.00 O ATOM 0 H GLU A 226 -12.557 4.777 -9.105 1.00 0.00 H new ATOM 0 HA GLU A 226 -10.337 3.091 -9.746 1.00 0.00 H new ATOM 0 HB2 GLU A 226 -11.643 5.419 -11.242 1.00 0.00 H new ATOM 0 HB3 GLU A 226 -10.496 4.309 -11.965 1.00 0.00 H new ATOM 0 HG2 GLU A 226 -13.152 3.487 -10.681 1.00 0.00 H new ATOM 0 HG3 GLU A 226 -12.876 3.629 -12.406 1.00 0.00 H new ATOM 537 N LEU A 227 -9.648 6.266 -9.219 1.00 0.00 N ATOM 538 CA LEU A 227 -8.496 7.190 -9.016 1.00 0.00 C ATOM 539 C LEU A 227 -7.441 6.505 -8.150 1.00 0.00 C ATOM 540 O LEU A 227 -6.294 6.388 -8.531 1.00 0.00 O ATOM 541 CB LEU A 227 -8.979 8.464 -8.321 1.00 0.00 C ATOM 542 CG LEU A 227 -8.801 9.657 -9.262 1.00 0.00 C ATOM 543 CD1 LEU A 227 -9.682 9.475 -10.498 1.00 0.00 C ATOM 544 CD2 LEU A 227 -9.206 10.942 -8.535 1.00 0.00 C ATOM 0 H LEU A 227 -10.567 6.665 -9.027 1.00 0.00 H new ATOM 0 HA LEU A 227 -8.062 7.447 -9.982 1.00 0.00 H new ATOM 0 HB2 LEU A 227 -10.027 8.362 -8.039 1.00 0.00 H new ATOM 0 HB3 LEU A 227 -8.416 8.625 -7.402 1.00 0.00 H new ATOM 0 HG LEU A 227 -7.757 9.722 -9.569 1.00 0.00 H new ATOM 0 HD11 LEU A 227 -9.552 10.327 -11.166 1.00 0.00 H new ATOM 0 HD12 LEU A 227 -9.396 8.560 -11.017 1.00 0.00 H new ATOM 0 HD13 LEU A 227 -10.727 9.408 -10.194 1.00 0.00 H new ATOM 0 HD21 LEU A 227 -9.080 11.794 -9.204 1.00 0.00 H new ATOM 0 HD22 LEU A 227 -10.250 10.873 -8.228 1.00 0.00 H new ATOM 0 HD23 LEU A 227 -8.577 11.076 -7.655 1.00 0.00 H new ATOM 556 N LEU A 228 -7.823 6.036 -6.997 1.00 0.00 N ATOM 557 CA LEU A 228 -6.847 5.342 -6.115 1.00 0.00 C ATOM 558 C LEU A 228 -6.372 4.072 -6.811 1.00 0.00 C ATOM 559 O LEU A 228 -5.299 3.565 -6.553 1.00 0.00 O ATOM 560 CB LEU A 228 -7.514 4.989 -4.780 1.00 0.00 C ATOM 561 CG LEU A 228 -7.517 6.217 -3.862 1.00 0.00 C ATOM 562 CD1 LEU A 228 -8.661 7.152 -4.253 1.00 0.00 C ATOM 563 CD2 LEU A 228 -7.705 5.771 -2.410 1.00 0.00 C ATOM 0 H LEU A 228 -8.771 6.103 -6.627 1.00 0.00 H new ATOM 0 HA LEU A 228 -5.996 5.994 -5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 228 -8.535 4.649 -4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 228 -6.981 4.167 -4.302 1.00 0.00 H new ATOM 0 HG LEU A 228 -6.567 6.742 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 228 -8.659 8.023 -3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 228 -8.530 7.475 -5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 228 -9.611 6.626 -4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 228 -7.707 6.645 -1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 228 -8.653 5.243 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 228 -6.889 5.107 -2.125 1.00 0.00 H new ATOM 575 N LYS A 229 -7.183 3.547 -7.682 1.00 0.00 N ATOM 576 CA LYS A 229 -6.823 2.298 -8.398 1.00 0.00 C ATOM 577 C LYS A 229 -5.687 2.548 -9.399 1.00 0.00 C ATOM 578 O LYS A 229 -5.214 1.629 -10.035 1.00 0.00 O ATOM 579 CB LYS A 229 -8.054 1.774 -9.139 1.00 0.00 C ATOM 580 CG LYS A 229 -7.880 0.284 -9.444 1.00 0.00 C ATOM 581 CD LYS A 229 -7.959 -0.517 -8.141 1.00 0.00 C ATOM 582 CE LYS A 229 -8.990 -1.639 -8.288 1.00 0.00 C ATOM 583 NZ LYS A 229 -8.457 -2.688 -9.203 1.00 0.00 N ATOM 0 H LYS A 229 -8.092 3.936 -7.931 1.00 0.00 H new ATOM 0 HA LYS A 229 -6.481 1.562 -7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 229 -8.947 1.929 -8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 229 -8.196 2.330 -10.066 1.00 0.00 H new ATOM 0 HG2 LYS A 229 -8.654 -0.049 -10.136 1.00 0.00 H new ATOM 0 HG3 LYS A 229 -6.921 0.111 -9.932 1.00 0.00 H new ATOM 0 HD2 LYS A 229 -6.982 -0.937 -7.901 1.00 0.00 H new ATOM 0 HD3 LYS A 229 -8.236 0.139 -7.316 1.00 0.00 H new ATOM 0 HE2 LYS A 229 -9.214 -2.072 -7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 229 -9.925 -1.239 -8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 -9.158 -3.450 -9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 -8.265 -2.270 -10.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 -7.576 -3.077 -8.810 1.00 0.00 H new ATOM 597 N THR A 230 -5.250 3.774 -9.574 1.00 0.00 N ATOM 598 CA THR A 230 -4.155 4.011 -10.564 1.00 0.00 C ATOM 599 C THR A 230 -2.903 4.597 -9.885 1.00 0.00 C ATOM 600 O THR A 230 -1.795 4.329 -10.303 1.00 0.00 O ATOM 601 CB THR A 230 -4.658 4.929 -11.687 1.00 0.00 C ATOM 602 OG1 THR A 230 -3.966 4.621 -12.889 1.00 0.00 O ATOM 603 CG2 THR A 230 -4.427 6.394 -11.329 1.00 0.00 C ATOM 0 H THR A 230 -5.595 4.601 -9.087 1.00 0.00 H new ATOM 0 HA THR A 230 -3.866 3.054 -10.998 1.00 0.00 H new ATOM 0 HB THR A 230 -5.728 4.768 -11.820 1.00 0.00 H new ATOM 0 HG1 THR A 230 -4.285 5.204 -13.609 1.00 0.00 H new ATOM 0 HG21 THR A 230 -4.790 7.028 -12.138 1.00 0.00 H new ATOM 0 HG22 THR A 230 -4.964 6.633 -10.411 1.00 0.00 H new ATOM 0 HG23 THR A 230 -3.361 6.569 -11.182 1.00 0.00 H new ATOM 611 N LYS A 231 -3.050 5.371 -8.837 1.00 0.00 N ATOM 612 CA LYS A 231 -1.836 5.925 -8.151 1.00 0.00 C ATOM 613 C LYS A 231 -1.792 5.398 -6.716 1.00 0.00 C ATOM 614 O LYS A 231 -0.739 5.283 -6.118 1.00 0.00 O ATOM 615 CB LYS A 231 -1.858 7.459 -8.122 1.00 0.00 C ATOM 616 CG LYS A 231 -3.270 7.984 -8.353 1.00 0.00 C ATOM 617 CD LYS A 231 -4.153 7.597 -7.172 1.00 0.00 C ATOM 618 CE LYS A 231 -5.386 8.504 -7.136 1.00 0.00 C ATOM 619 NZ LYS A 231 -5.863 8.753 -8.525 1.00 0.00 N ATOM 0 H LYS A 231 -3.945 5.642 -8.430 1.00 0.00 H new ATOM 0 HA LYS A 231 -0.953 5.607 -8.706 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -1.486 7.815 -7.161 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -1.189 7.851 -8.888 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -3.253 9.068 -8.469 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -3.677 7.571 -9.276 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -4.458 6.554 -7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -3.594 7.689 -6.241 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -6.176 8.038 -6.547 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -5.141 9.448 -6.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -6.805 9.193 -8.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -5.199 9.389 -9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -5.918 7.851 -9.040 1.00 0.00 H new ATOM 633 N CYS A 232 -2.927 5.074 -6.162 1.00 0.00 N ATOM 634 CA CYS A 232 -2.957 4.548 -4.768 1.00 0.00 C ATOM 635 C CYS A 232 -3.265 3.055 -4.811 1.00 0.00 C ATOM 636 O CYS A 232 -3.874 2.503 -3.915 1.00 0.00 O ATOM 637 CB CYS A 232 -4.035 5.274 -3.972 1.00 0.00 C ATOM 638 SG CYS A 232 -3.617 7.029 -3.877 1.00 0.00 S ATOM 0 H CYS A 232 -3.837 5.151 -6.615 1.00 0.00 H new ATOM 0 HA CYS A 232 -1.992 4.711 -4.289 1.00 0.00 H new ATOM 0 HB2 CYS A 232 -5.007 5.144 -4.449 1.00 0.00 H new ATOM 0 HB3 CYS A 232 -4.112 4.851 -2.970 1.00 0.00 H new ATOM 643 N GLN A 233 -2.851 2.406 -5.858 1.00 0.00 N ATOM 644 CA GLN A 233 -3.112 0.947 -5.995 1.00 0.00 C ATOM 645 C GLN A 233 -2.646 0.211 -4.740 1.00 0.00 C ATOM 646 O GLN A 233 -3.252 -0.753 -4.320 1.00 0.00 O ATOM 647 CB GLN A 233 -2.338 0.424 -7.206 1.00 0.00 C ATOM 648 CG GLN A 233 -2.897 1.069 -8.472 1.00 0.00 C ATOM 649 CD GLN A 233 -2.012 0.720 -9.669 1.00 0.00 C ATOM 650 OE1 GLN A 233 -0.938 0.175 -9.508 1.00 0.00 O ATOM 651 NE2 GLN A 233 -2.421 1.018 -10.872 1.00 0.00 N ATOM 0 H GLN A 233 -2.338 2.826 -6.633 1.00 0.00 H new ATOM 0 HA GLN A 233 -4.181 0.777 -6.127 1.00 0.00 H new ATOM 0 HB2 GLN A 233 -1.278 0.655 -7.103 1.00 0.00 H new ATOM 0 HB3 GLN A 233 -2.424 -0.661 -7.267 1.00 0.00 H new ATOM 0 HG2 GLN A 233 -3.915 0.722 -8.648 1.00 0.00 H new ATOM 0 HG3 GLN A 233 -2.946 2.151 -8.348 1.00 0.00 H new ATOM 0 HE21 GLN A 233 -3.323 1.475 -11.005 1.00 0.00 H new ATOM 0 HE22 GLN A 233 -1.839 0.793 -11.679 1.00 0.00 H new ATOM 660 N ALA A 234 -1.577 0.645 -4.135 1.00 0.00 N ATOM 661 CA ALA A 234 -1.094 -0.055 -2.917 1.00 0.00 C ATOM 662 C ALA A 234 -2.023 0.250 -1.745 1.00 0.00 C ATOM 663 O ALA A 234 -2.411 -0.628 -1.003 1.00 0.00 O ATOM 664 CB ALA A 234 0.327 0.405 -2.584 1.00 0.00 C ATOM 0 H ALA A 234 -1.021 1.448 -4.429 1.00 0.00 H new ATOM 0 HA ALA A 234 -1.088 -1.129 -3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 234 0.676 -0.111 -1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 234 0.989 0.174 -3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 234 0.329 1.480 -2.406 1.00 0.00 H new ATOM 670 N THR A 235 -2.390 1.483 -1.570 1.00 0.00 N ATOM 671 CA THR A 235 -3.294 1.821 -0.443 1.00 0.00 C ATOM 672 C THR A 235 -4.618 1.074 -0.623 1.00 0.00 C ATOM 673 O THR A 235 -5.356 0.859 0.317 1.00 0.00 O ATOM 674 CB THR A 235 -3.534 3.332 -0.422 1.00 0.00 C ATOM 675 OG1 THR A 235 -2.545 3.956 0.386 1.00 0.00 O ATOM 676 CG2 THR A 235 -4.920 3.636 0.142 1.00 0.00 C ATOM 0 H THR A 235 -2.105 2.269 -2.155 1.00 0.00 H new ATOM 0 HA THR A 235 -2.842 1.523 0.503 1.00 0.00 H new ATOM 0 HB THR A 235 -3.473 3.717 -1.440 1.00 0.00 H new ATOM 0 HG1 THR A 235 -1.659 3.623 0.133 1.00 0.00 H new ATOM 0 HG21 THR A 235 -5.080 4.714 0.152 1.00 0.00 H new ATOM 0 HG22 THR A 235 -5.678 3.162 -0.481 1.00 0.00 H new ATOM 0 HG23 THR A 235 -4.992 3.249 1.158 1.00 0.00 H new ATOM 684 N CYS A 236 -4.924 0.683 -1.829 1.00 0.00 N ATOM 685 CA CYS A 236 -6.201 -0.044 -2.082 1.00 0.00 C ATOM 686 C CYS A 236 -5.930 -1.524 -2.378 1.00 0.00 C ATOM 687 O CYS A 236 -6.484 -2.404 -1.751 1.00 0.00 O ATOM 688 CB CYS A 236 -6.895 0.596 -3.290 1.00 0.00 C ATOM 689 SG CYS A 236 -8.405 -0.315 -3.707 1.00 0.00 S ATOM 0 H CYS A 236 -4.343 0.836 -2.653 1.00 0.00 H new ATOM 0 HA CYS A 236 -6.834 0.022 -1.197 1.00 0.00 H new ATOM 0 HB2 CYS A 236 -7.139 1.635 -3.069 1.00 0.00 H new ATOM 0 HB3 CYS A 236 -6.219 0.602 -4.145 1.00 0.00 H new ATOM 694 N LEU A 237 -5.113 -1.803 -3.355 1.00 0.00 N ATOM 695 CA LEU A 237 -4.840 -3.224 -3.727 1.00 0.00 C ATOM 696 C LEU A 237 -3.816 -3.888 -2.788 1.00 0.00 C ATOM 697 O LEU A 237 -3.830 -5.091 -2.617 1.00 0.00 O ATOM 698 CB LEU A 237 -4.329 -3.270 -5.168 1.00 0.00 C ATOM 699 CG LEU A 237 -5.353 -2.595 -6.086 1.00 0.00 C ATOM 700 CD1 LEU A 237 -4.871 -2.670 -7.536 1.00 0.00 C ATOM 701 CD2 LEU A 237 -6.695 -3.319 -5.965 1.00 0.00 C ATOM 0 H LEU A 237 -4.620 -1.108 -3.915 1.00 0.00 H new ATOM 0 HA LEU A 237 -5.771 -3.783 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 237 -3.367 -2.763 -5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 237 -4.170 -4.303 -5.478 1.00 0.00 H new ATOM 0 HG LEU A 237 -5.468 -1.551 -5.794 1.00 0.00 H new ATOM 0 HD11 LEU A 237 -5.601 -2.189 -8.187 1.00 0.00 H new ATOM 0 HD12 LEU A 237 -3.912 -2.160 -7.627 1.00 0.00 H new ATOM 0 HD13 LEU A 237 -4.756 -3.714 -7.828 1.00 0.00 H new ATOM 0 HD21 LEU A 237 -7.426 -2.841 -6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 237 -6.574 -4.362 -6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 237 -7.043 -3.271 -4.933 1.00 0.00 H new