USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=11 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= -3.04! K(o=-3!,f=-0.098) USER MOD Set 2.1: A 195 ASN : amide:sc= -1.15 X(o=-1.9,f=-1.7) USER MOD Set 2.2: A 202 THR OG1 : rot 180:sc= -0.724 USER MOD Single : A 191 SER OG : rot 180:sc= 0 USER MOD Single : A 194 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 198 ASN : amide:sc= -2.64! K(o=-2.6!,f=-1.5) USER MOD Single : A 203 ASN : amide:sc= -0.0122 K(o=-0.012,f=-1.8!) 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 -20:sc= -0.361 USER MOD Single : A 224 LYS NZ :NH3+ -161:sc= -0.155 (180deg=-0.821) USER MOD Single : A 225 HIS : no HD1:sc= -3.37! C(o=-3.4!,f=-13!) USER MOD Single : A 229 LYS NZ :NH3+ -129:sc= -1.88! (180deg=-5.72!) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 LYS NZ :NH3+ -179:sc= -4.48! (180deg=-4.57!) USER MOD Single : A 233 GLN : amide:sc= -4.15! C(o=-4.1!,f=-1.7!) USER MOD Single : A 235 THR OG1 : rot 49:sc= 0.601 USER MOD ----------------------------------------------------------------- ATOM 18 N CYS A 189 17.639 -9.926 7.364 1.00 0.00 N ATOM 19 CA CYS A 189 17.179 -8.516 7.501 1.00 0.00 C ATOM 20 C CYS A 189 18.190 -7.581 6.832 1.00 0.00 C ATOM 21 O CYS A 189 18.031 -6.376 6.833 1.00 0.00 O ATOM 22 CB CYS A 189 17.056 -8.160 8.986 1.00 0.00 C ATOM 23 SG CYS A 189 16.079 -9.426 9.827 1.00 0.00 S ATOM 0 HA CYS A 189 16.208 -8.403 7.020 1.00 0.00 H new ATOM 0 HB2 CYS A 189 18.046 -8.089 9.438 1.00 0.00 H new ATOM 0 HB3 CYS A 189 16.583 -7.185 9.100 1.00 0.00 H new ATOM 28 N ALA A 190 19.230 -8.127 6.264 1.00 0.00 N ATOM 29 CA ALA A 190 20.253 -7.269 5.599 1.00 0.00 C ATOM 30 C ALA A 190 19.621 -6.522 4.421 1.00 0.00 C ATOM 31 O ALA A 190 19.968 -5.393 4.136 1.00 0.00 O ATOM 32 CB ALA A 190 21.401 -8.146 5.095 1.00 0.00 C ATOM 0 H ALA A 190 19.416 -9.129 6.231 1.00 0.00 H new ATOM 0 HA ALA A 190 20.636 -6.543 6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 190 22.150 -7.521 4.609 1.00 0.00 H new ATOM 0 HB2 ALA A 190 21.856 -8.669 5.936 1.00 0.00 H new ATOM 0 HB3 ALA A 190 21.016 -8.874 4.381 1.00 0.00 H new ATOM 38 N SER A 191 18.701 -7.139 3.728 1.00 0.00 N ATOM 39 CA SER A 191 18.061 -6.449 2.571 1.00 0.00 C ATOM 40 C SER A 191 16.855 -5.636 3.055 1.00 0.00 C ATOM 41 O SER A 191 16.358 -4.774 2.358 1.00 0.00 O ATOM 42 CB SER A 191 17.599 -7.488 1.549 1.00 0.00 C ATOM 43 OG SER A 191 16.479 -8.191 2.069 1.00 0.00 O ATOM 0 H SER A 191 18.367 -8.085 3.912 1.00 0.00 H new ATOM 0 HA SER A 191 18.784 -5.778 2.107 1.00 0.00 H new ATOM 0 HB2 SER A 191 17.333 -7.000 0.611 1.00 0.00 H new ATOM 0 HB3 SER A 191 18.409 -8.183 1.328 1.00 0.00 H new ATOM 0 HG SER A 191 16.179 -8.857 1.416 1.00 0.00 H new ATOM 49 N CYS A 192 16.387 -5.895 4.246 1.00 0.00 N ATOM 50 CA CYS A 192 15.220 -5.128 4.772 1.00 0.00 C ATOM 51 C CYS A 192 15.354 -4.979 6.289 1.00 0.00 C ATOM 52 O CYS A 192 14.534 -5.465 7.042 1.00 0.00 O ATOM 53 CB CYS A 192 13.920 -5.868 4.439 1.00 0.00 C ATOM 54 SG CYS A 192 13.987 -7.551 5.100 1.00 0.00 S ATOM 0 H CYS A 192 16.761 -6.603 4.877 1.00 0.00 H new ATOM 0 HA CYS A 192 15.197 -4.141 4.309 1.00 0.00 H new ATOM 0 HB2 CYS A 192 13.069 -5.335 4.862 1.00 0.00 H new ATOM 0 HB3 CYS A 192 13.773 -5.897 3.359 1.00 0.00 H new ATOM 59 N PRO A 193 16.388 -4.310 6.732 1.00 0.00 N ATOM 60 CA PRO A 193 16.644 -4.092 8.186 1.00 0.00 C ATOM 61 C PRO A 193 15.504 -3.337 8.875 1.00 0.00 C ATOM 62 O PRO A 193 15.333 -3.414 10.075 1.00 0.00 O ATOM 63 CB PRO A 193 17.934 -3.261 8.228 1.00 0.00 C ATOM 64 CG PRO A 193 18.133 -2.730 6.845 1.00 0.00 C ATOM 65 CD PRO A 193 17.423 -3.690 5.895 1.00 0.00 C ATOM 0 HA PRO A 193 16.725 -5.041 8.717 1.00 0.00 H new ATOM 0 HB2 PRO A 193 17.850 -2.448 8.949 1.00 0.00 H new ATOM 0 HB3 PRO A 193 18.782 -3.873 8.536 1.00 0.00 H new ATOM 0 HG2 PRO A 193 17.723 -1.724 6.755 1.00 0.00 H new ATOM 0 HG3 PRO A 193 19.194 -2.664 6.606 1.00 0.00 H new ATOM 0 HD2 PRO A 193 16.988 -3.163 5.046 1.00 0.00 H new ATOM 0 HD3 PRO A 193 18.110 -4.434 5.491 1.00 0.00 H new ATOM 73 N ASN A 194 14.730 -2.599 8.128 1.00 0.00 N ATOM 74 CA ASN A 194 13.612 -1.833 8.746 1.00 0.00 C ATOM 75 C ASN A 194 12.342 -2.692 8.787 1.00 0.00 C ATOM 76 O ASN A 194 11.297 -2.245 9.218 1.00 0.00 O ATOM 77 CB ASN A 194 13.354 -0.569 7.922 1.00 0.00 C ATOM 78 CG ASN A 194 14.635 0.269 7.862 1.00 0.00 C ATOM 79 OD1 ASN A 194 15.363 0.355 8.832 1.00 0.00 O ATOM 80 ND2 ASN A 194 14.945 0.892 6.758 1.00 0.00 N ATOM 0 H ASN A 194 14.823 -2.493 7.118 1.00 0.00 H new ATOM 0 HA ASN A 194 13.883 -1.559 9.766 1.00 0.00 H new ATOM 0 HB2 ASN A 194 13.034 -0.837 6.915 1.00 0.00 H new ATOM 0 HB3 ASN A 194 12.547 0.012 8.369 1.00 0.00 H new ATOM 0 HD21 ASN A 194 15.797 1.450 6.710 1.00 0.00 H new ATOM 0 HD22 ASN A 194 14.335 0.821 5.944 1.00 0.00 H new ATOM 87 N ASN A 195 12.418 -3.919 8.349 1.00 0.00 N ATOM 88 CA ASN A 195 11.207 -4.791 8.375 1.00 0.00 C ATOM 89 C ASN A 195 11.626 -6.256 8.523 1.00 0.00 C ATOM 90 O ASN A 195 12.090 -6.877 7.589 1.00 0.00 O ATOM 91 CB ASN A 195 10.423 -4.617 7.074 1.00 0.00 C ATOM 92 CG ASN A 195 9.707 -3.264 7.079 1.00 0.00 C ATOM 93 OD1 ASN A 195 9.931 -2.442 6.213 1.00 0.00 O ATOM 94 ND2 ASN A 195 8.844 -2.999 8.022 1.00 0.00 N ATOM 0 H ASN A 195 13.261 -4.355 7.976 1.00 0.00 H new ATOM 0 HA ASN A 195 10.580 -4.507 9.220 1.00 0.00 H new ATOM 0 HB2 ASN A 195 11.098 -4.679 6.220 1.00 0.00 H new ATOM 0 HB3 ASN A 195 9.697 -5.423 6.965 1.00 0.00 H new ATOM 0 HD21 ASN A 195 8.358 -2.102 8.031 1.00 0.00 H new ATOM 0 HD22 ASN A 195 8.656 -3.689 8.749 1.00 0.00 H new ATOM 101 N CYS A 196 11.456 -6.814 9.690 1.00 0.00 N ATOM 102 CA CYS A 196 11.836 -8.241 9.898 1.00 0.00 C ATOM 103 C CYS A 196 10.962 -8.846 10.996 1.00 0.00 C ATOM 104 O CYS A 196 11.306 -8.825 12.162 1.00 0.00 O ATOM 105 CB CYS A 196 13.307 -8.324 10.309 1.00 0.00 C ATOM 106 SG CYS A 196 14.233 -9.218 9.037 1.00 0.00 S ATOM 0 H CYS A 196 11.070 -6.344 10.509 1.00 0.00 H new ATOM 0 HA CYS A 196 11.688 -8.795 8.971 1.00 0.00 H new ATOM 0 HB2 CYS A 196 13.718 -7.323 10.438 1.00 0.00 H new ATOM 0 HB3 CYS A 196 13.400 -8.833 11.268 1.00 0.00 H new ATOM 111 N GLU A 197 9.830 -9.387 10.638 1.00 0.00 N ATOM 112 CA GLU A 197 8.940 -9.990 11.669 1.00 0.00 C ATOM 113 C GLU A 197 9.672 -11.152 12.345 1.00 0.00 C ATOM 114 O GLU A 197 9.542 -11.378 13.531 1.00 0.00 O ATOM 115 CB GLU A 197 7.661 -10.504 11.005 1.00 0.00 C ATOM 116 CG GLU A 197 6.673 -10.947 12.085 1.00 0.00 C ATOM 117 CD GLU A 197 5.424 -11.536 11.426 1.00 0.00 C ATOM 118 OE1 GLU A 197 5.400 -11.608 10.209 1.00 0.00 O ATOM 119 OE2 GLU A 197 4.514 -11.904 12.150 1.00 0.00 O ATOM 0 H GLU A 197 9.484 -9.437 9.680 1.00 0.00 H new ATOM 0 HA GLU A 197 8.679 -9.239 12.414 1.00 0.00 H new ATOM 0 HB2 GLU A 197 7.218 -9.721 10.389 1.00 0.00 H new ATOM 0 HB3 GLU A 197 7.892 -11.338 10.343 1.00 0.00 H new ATOM 0 HG2 GLU A 197 7.137 -11.688 12.735 1.00 0.00 H new ATOM 0 HG3 GLU A 197 6.400 -10.099 12.713 1.00 0.00 H new ATOM 127 N ASN A 198 10.445 -11.884 11.592 1.00 0.00 N ATOM 128 CA ASN A 198 11.200 -13.031 12.169 1.00 0.00 C ATOM 129 C ASN A 198 12.362 -13.371 11.237 1.00 0.00 C ATOM 130 O ASN A 198 12.673 -14.522 11.005 1.00 0.00 O ATOM 131 CB ASN A 198 10.276 -14.245 12.298 1.00 0.00 C ATOM 132 CG ASN A 198 9.490 -14.146 13.606 1.00 0.00 C ATOM 133 OD1 ASN A 198 8.307 -14.421 13.641 1.00 0.00 O ATOM 134 ND2 ASN A 198 10.106 -13.765 14.693 1.00 0.00 N ATOM 0 H ASN A 198 10.587 -11.735 10.593 1.00 0.00 H new ATOM 0 HA ASN A 198 11.578 -12.766 13.156 1.00 0.00 H new ATOM 0 HB2 ASN A 198 9.591 -14.287 11.451 1.00 0.00 H new ATOM 0 HB3 ASN A 198 10.861 -15.165 12.281 1.00 0.00 H new ATOM 0 HD21 ASN A 198 9.594 -13.698 15.573 1.00 0.00 H new ATOM 0 HD22 ASN A 198 11.099 -13.534 14.662 1.00 0.00 H new ATOM 141 N GLY A 199 12.996 -12.371 10.690 1.00 0.00 N ATOM 142 CA GLY A 199 14.127 -12.623 9.757 1.00 0.00 C ATOM 143 C GLY A 199 13.614 -12.507 8.321 1.00 0.00 C ATOM 144 O GLY A 199 14.372 -12.536 7.372 1.00 0.00 O ATOM 0 H GLY A 199 12.778 -11.388 10.850 1.00 0.00 H new ATOM 0 HA2 GLY A 199 14.928 -11.904 9.931 1.00 0.00 H new ATOM 0 HA3 GLY A 199 14.545 -13.615 9.930 1.00 0.00 H new ATOM 148 N LEU A 200 12.325 -12.371 8.161 1.00 0.00 N ATOM 149 CA LEU A 200 11.743 -12.245 6.797 1.00 0.00 C ATOM 150 C LEU A 200 11.259 -10.810 6.583 1.00 0.00 C ATOM 151 O LEU A 200 10.730 -10.184 7.479 1.00 0.00 O ATOM 152 CB LEU A 200 10.554 -13.197 6.670 1.00 0.00 C ATOM 153 CG LEU A 200 10.993 -14.624 7.005 1.00 0.00 C ATOM 154 CD1 LEU A 200 9.809 -15.575 6.819 1.00 0.00 C ATOM 155 CD2 LEU A 200 12.129 -15.042 6.068 1.00 0.00 C ATOM 0 H LEU A 200 11.647 -12.342 8.923 1.00 0.00 H new ATOM 0 HA LEU A 200 12.499 -12.493 6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 200 9.754 -12.886 7.342 1.00 0.00 H new ATOM 0 HB3 LEU A 200 10.153 -13.159 5.657 1.00 0.00 H new ATOM 0 HG LEU A 200 11.339 -14.665 8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 200 10.119 -16.593 7.057 1.00 0.00 H new ATOM 0 HD12 LEU A 200 8.996 -15.279 7.482 1.00 0.00 H new ATOM 0 HD13 LEU A 200 9.467 -15.532 5.785 1.00 0.00 H new ATOM 0 HD21 LEU A 200 12.442 -16.059 6.306 1.00 0.00 H new ATOM 0 HD22 LEU A 200 11.782 -15.002 5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 200 12.973 -14.364 6.194 1.00 0.00 H new ATOM 167 N CYS A 201 11.427 -10.285 5.401 1.00 0.00 N ATOM 168 CA CYS A 201 10.967 -8.893 5.140 1.00 0.00 C ATOM 169 C CYS A 201 9.438 -8.855 5.210 1.00 0.00 C ATOM 170 O CYS A 201 8.770 -9.811 4.871 1.00 0.00 O ATOM 171 CB CYS A 201 11.433 -8.457 3.750 1.00 0.00 C ATOM 172 SG CYS A 201 13.224 -8.689 3.616 1.00 0.00 S ATOM 0 H CYS A 201 11.861 -10.757 4.608 1.00 0.00 H new ATOM 0 HA CYS A 201 11.384 -8.216 5.885 1.00 0.00 H new ATOM 0 HB2 CYS A 201 10.921 -9.039 2.984 1.00 0.00 H new ATOM 0 HB3 CYS A 201 11.177 -7.411 3.580 1.00 0.00 H new ATOM 177 N THR A 202 8.875 -7.765 5.653 1.00 0.00 N ATOM 178 CA THR A 202 7.391 -7.683 5.747 1.00 0.00 C ATOM 179 C THR A 202 6.828 -6.945 4.529 1.00 0.00 C ATOM 180 O THR A 202 5.651 -6.650 4.463 1.00 0.00 O ATOM 181 CB THR A 202 6.999 -6.928 7.020 1.00 0.00 C ATOM 182 OG1 THR A 202 7.419 -5.574 6.912 1.00 0.00 O ATOM 183 CG2 THR A 202 7.669 -7.577 8.231 1.00 0.00 C ATOM 0 H THR A 202 9.377 -6.930 5.953 1.00 0.00 H new ATOM 0 HA THR A 202 6.982 -8.693 5.777 1.00 0.00 H new ATOM 0 HB THR A 202 5.917 -6.966 7.146 1.00 0.00 H new ATOM 0 HG1 THR A 202 7.168 -5.088 7.725 1.00 0.00 H new ATOM 0 HG21 THR A 202 7.388 -7.037 9.135 1.00 0.00 H new ATOM 0 HG22 THR A 202 7.346 -8.615 8.313 1.00 0.00 H new ATOM 0 HG23 THR A 202 8.752 -7.543 8.110 1.00 0.00 H new ATOM 191 N ASN A 203 7.654 -6.638 3.567 1.00 0.00 N ATOM 192 CA ASN A 203 7.152 -5.911 2.365 1.00 0.00 C ATOM 193 C ASN A 203 6.840 -6.913 1.249 1.00 0.00 C ATOM 194 O ASN A 203 7.696 -7.269 0.463 1.00 0.00 O ATOM 195 CB ASN A 203 8.224 -4.930 1.889 1.00 0.00 C ATOM 196 CG ASN A 203 7.629 -3.983 0.847 1.00 0.00 C ATOM 197 OD1 ASN A 203 6.434 -3.759 0.822 1.00 0.00 O ATOM 198 ND2 ASN A 203 8.419 -3.417 -0.023 1.00 0.00 N ATOM 0 H ASN A 203 8.650 -6.857 3.560 1.00 0.00 H new ATOM 0 HA ASN A 203 6.243 -5.366 2.620 1.00 0.00 H new ATOM 0 HB2 ASN A 203 8.610 -4.360 2.734 1.00 0.00 H new ATOM 0 HB3 ASN A 203 9.065 -5.475 1.461 1.00 0.00 H new ATOM 0 HD21 ASN A 203 8.035 -2.785 -0.726 1.00 0.00 H new ATOM 0 HD22 ASN A 203 9.421 -3.606 -0.001 1.00 0.00 H new ATOM 239 N PHE A 207 2.355 -3.371 -4.942 1.00 0.00 N ATOM 240 CA PHE A 207 1.823 -2.038 -5.339 1.00 0.00 C ATOM 241 C PHE A 207 2.500 -0.932 -4.536 1.00 0.00 C ATOM 242 O PHE A 207 3.009 -1.148 -3.453 1.00 0.00 O ATOM 243 CB PHE A 207 0.318 -1.987 -5.069 1.00 0.00 C ATOM 244 CG PHE A 207 -0.429 -2.730 -6.147 1.00 0.00 C ATOM 245 CD1 PHE A 207 -0.262 -2.369 -7.489 1.00 0.00 C ATOM 246 CD2 PHE A 207 -1.292 -3.776 -5.805 1.00 0.00 C ATOM 247 CE1 PHE A 207 -0.959 -3.057 -8.489 1.00 0.00 C ATOM 248 CE2 PHE A 207 -1.989 -4.464 -6.805 1.00 0.00 C ATOM 249 CZ PHE A 207 -1.822 -4.105 -8.148 1.00 0.00 C ATOM 0 HA PHE A 207 2.023 -1.888 -6.400 1.00 0.00 H new ATOM 0 HB2 PHE A 207 0.100 -2.427 -4.096 1.00 0.00 H new ATOM 0 HB3 PHE A 207 -0.017 -0.951 -5.032 1.00 0.00 H new ATOM 0 HD1 PHE A 207 0.404 -1.561 -7.753 1.00 0.00 H new ATOM 0 HD2 PHE A 207 -1.421 -4.053 -4.769 1.00 0.00 H new ATOM 0 HE1 PHE A 207 -0.831 -2.779 -9.525 1.00 0.00 H new ATOM 0 HE2 PHE A 207 -2.656 -5.272 -6.541 1.00 0.00 H new ATOM 0 HZ PHE A 207 -2.359 -4.636 -8.920 1.00 0.00 H new ATOM 259 N GLU A 208 2.498 0.259 -5.063 1.00 0.00 N ATOM 260 CA GLU A 208 3.121 1.397 -4.342 1.00 0.00 C ATOM 261 C GLU A 208 2.229 2.631 -4.492 1.00 0.00 C ATOM 262 O GLU A 208 1.631 2.850 -5.528 1.00 0.00 O ATOM 263 CB GLU A 208 4.502 1.681 -4.936 1.00 0.00 C ATOM 264 CG GLU A 208 5.380 0.437 -4.795 1.00 0.00 C ATOM 265 CD GLU A 208 6.798 0.757 -5.271 1.00 0.00 C ATOM 266 OE1 GLU A 208 6.979 1.807 -5.866 1.00 0.00 O ATOM 267 OE2 GLU A 208 7.680 -0.051 -5.029 1.00 0.00 O ATOM 0 H GLU A 208 2.089 0.492 -5.968 1.00 0.00 H new ATOM 0 HA GLU A 208 3.230 1.152 -3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 208 4.409 1.957 -5.986 1.00 0.00 H new ATOM 0 HB3 GLU A 208 4.964 2.526 -4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 208 5.399 0.108 -3.756 1.00 0.00 H new ATOM 0 HG3 GLU A 208 4.965 -0.383 -5.381 1.00 0.00 H new ATOM 275 N ASP A 209 2.130 3.439 -3.475 1.00 0.00 N ATOM 276 CA ASP A 209 1.273 4.651 -3.579 1.00 0.00 C ATOM 277 C ASP A 209 2.029 5.747 -4.325 1.00 0.00 C ATOM 278 O ASP A 209 2.969 6.327 -3.819 1.00 0.00 O ATOM 279 CB ASP A 209 0.911 5.145 -2.179 1.00 0.00 C ATOM 280 CG ASP A 209 0.039 4.100 -1.481 1.00 0.00 C ATOM 281 OD1 ASP A 209 -0.032 4.134 -0.263 1.00 0.00 O ATOM 282 OD2 ASP A 209 -0.545 3.285 -2.176 1.00 0.00 O ATOM 0 H ASP A 209 2.603 3.314 -2.580 1.00 0.00 H new ATOM 0 HA ASP A 209 0.361 4.403 -4.122 1.00 0.00 H new ATOM 0 HB2 ASP A 209 1.816 5.325 -1.599 1.00 0.00 H new ATOM 0 HB3 ASP A 209 0.379 6.094 -2.243 1.00 0.00 H new ATOM 288 N LEU A 210 1.615 6.041 -5.524 1.00 0.00 N ATOM 289 CA LEU A 210 2.299 7.105 -6.303 1.00 0.00 C ATOM 290 C LEU A 210 2.163 8.434 -5.556 1.00 0.00 C ATOM 291 O LEU A 210 3.007 9.302 -5.653 1.00 0.00 O ATOM 292 CB LEU A 210 1.658 7.202 -7.689 1.00 0.00 C ATOM 293 CG LEU A 210 2.254 6.130 -8.605 1.00 0.00 C ATOM 294 CD1 LEU A 210 2.081 4.750 -7.967 1.00 0.00 C ATOM 295 CD2 LEU A 210 1.534 6.155 -9.954 1.00 0.00 C ATOM 0 H LEU A 210 0.832 5.590 -5.998 1.00 0.00 H new ATOM 0 HA LEU A 210 3.357 6.870 -6.420 1.00 0.00 H new ATOM 0 HB2 LEU A 210 0.579 7.070 -7.612 1.00 0.00 H new ATOM 0 HB3 LEU A 210 1.829 8.192 -8.112 1.00 0.00 H new ATOM 0 HG LEU A 210 3.315 6.332 -8.750 1.00 0.00 H new ATOM 0 HD11 LEU A 210 2.507 3.990 -8.622 1.00 0.00 H new ATOM 0 HD12 LEU A 210 2.593 4.727 -7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 210 1.020 4.548 -7.819 1.00 0.00 H new ATOM 0 HD21 LEU A 210 1.958 5.392 -10.607 1.00 0.00 H new ATOM 0 HD22 LEU A 210 0.473 5.956 -9.804 1.00 0.00 H new ATOM 0 HD23 LEU A 210 1.657 7.135 -10.414 1.00 0.00 H new ATOM 307 N LEU A 211 1.107 8.593 -4.804 1.00 0.00 N ATOM 308 CA LEU A 211 0.913 9.857 -4.039 1.00 0.00 C ATOM 309 C LEU A 211 1.002 9.561 -2.540 1.00 0.00 C ATOM 310 O LEU A 211 0.562 8.529 -2.076 1.00 0.00 O ATOM 311 CB LEU A 211 -0.465 10.438 -4.363 1.00 0.00 C ATOM 312 CG LEU A 211 -0.584 10.659 -5.870 1.00 0.00 C ATOM 313 CD1 LEU A 211 -1.975 11.206 -6.198 1.00 0.00 C ATOM 314 CD2 LEU A 211 0.477 11.665 -6.322 1.00 0.00 C ATOM 0 H LEU A 211 0.369 7.899 -4.687 1.00 0.00 H new ATOM 0 HA LEU A 211 1.685 10.575 -4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.247 9.760 -4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -0.607 11.380 -3.834 1.00 0.00 H new ATOM 0 HG LEU A 211 -0.434 9.712 -6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.060 11.364 -7.273 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.732 10.492 -5.875 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.125 12.153 -5.680 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.393 11.824 -7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 211 0.326 12.611 -5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.469 11.277 -6.089 1.00 0.00 H new ATOM 326 N SER A 212 1.565 10.459 -1.777 1.00 0.00 N ATOM 327 CA SER A 212 1.674 10.224 -0.309 1.00 0.00 C ATOM 328 C SER A 212 0.354 10.597 0.364 1.00 0.00 C ATOM 329 O SER A 212 0.205 10.491 1.566 1.00 0.00 O ATOM 330 CB SER A 212 2.797 11.088 0.267 1.00 0.00 C ATOM 331 OG SER A 212 2.348 12.431 0.362 1.00 0.00 O ATOM 0 H SER A 212 1.953 11.343 -2.106 1.00 0.00 H new ATOM 0 HA SER A 212 1.895 9.172 -0.127 1.00 0.00 H new ATOM 0 HB2 SER A 212 3.089 10.719 1.250 1.00 0.00 H new ATOM 0 HB3 SER A 212 3.680 11.031 -0.370 1.00 0.00 H new ATOM 0 HG SER A 212 3.063 12.990 0.732 1.00 0.00 H new ATOM 337 N ASN A 213 -0.604 11.037 -0.402 1.00 0.00 N ATOM 338 CA ASN A 213 -1.915 11.419 0.188 1.00 0.00 C ATOM 339 C ASN A 213 -2.934 10.306 -0.059 1.00 0.00 C ATOM 340 O ASN A 213 -4.123 10.495 0.095 1.00 0.00 O ATOM 341 CB ASN A 213 -2.402 12.715 -0.463 1.00 0.00 C ATOM 342 CG ASN A 213 -1.437 13.848 -0.110 1.00 0.00 C ATOM 343 OD1 ASN A 213 -1.573 14.952 -0.598 1.00 0.00 O ATOM 344 ND2 ASN A 213 -0.465 13.617 0.726 1.00 0.00 N ATOM 0 H ASN A 213 -0.535 11.149 -1.414 1.00 0.00 H new ATOM 0 HA ASN A 213 -1.802 11.569 1.262 1.00 0.00 H new ATOM 0 HB2 ASN A 213 -2.459 12.594 -1.545 1.00 0.00 H new ATOM 0 HB3 ASN A 213 -3.407 12.955 -0.116 1.00 0.00 H new ATOM 0 HD21 ASN A 213 0.184 14.364 0.972 1.00 0.00 H new ATOM 0 HD22 ASN A 213 -0.353 12.689 1.134 1.00 0.00 H new ATOM 351 N CYS A 214 -2.480 9.147 -0.446 1.00 0.00 N ATOM 352 CA CYS A 214 -3.427 8.030 -0.712 1.00 0.00 C ATOM 353 C CYS A 214 -4.303 7.776 0.511 1.00 0.00 C ATOM 354 O CYS A 214 -5.507 7.650 0.402 1.00 0.00 O ATOM 355 CB CYS A 214 -2.636 6.770 -1.046 1.00 0.00 C ATOM 356 SG CYS A 214 -2.067 6.885 -2.755 1.00 0.00 S ATOM 0 H CYS A 214 -1.495 8.925 -0.589 1.00 0.00 H new ATOM 0 HA CYS A 214 -4.068 8.297 -1.552 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -1.787 6.666 -0.371 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -3.259 5.886 -0.913 1.00 0.00 H new ATOM 361 N GLU A 215 -3.726 7.711 1.677 1.00 0.00 N ATOM 362 CA GLU A 215 -4.561 7.479 2.882 1.00 0.00 C ATOM 363 C GLU A 215 -5.530 8.654 3.009 1.00 0.00 C ATOM 364 O GLU A 215 -6.683 8.495 3.361 1.00 0.00 O ATOM 365 CB GLU A 215 -3.671 7.405 4.124 1.00 0.00 C ATOM 366 CG GLU A 215 -4.480 6.854 5.300 1.00 0.00 C ATOM 367 CD GLU A 215 -3.636 6.911 6.575 1.00 0.00 C ATOM 368 OE1 GLU A 215 -4.109 6.441 7.597 1.00 0.00 O ATOM 369 OE2 GLU A 215 -2.531 7.426 6.508 1.00 0.00 O ATOM 0 H GLU A 215 -2.725 7.807 1.845 1.00 0.00 H new ATOM 0 HA GLU A 215 -5.107 6.540 2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -2.810 6.765 3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -3.284 8.395 4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -5.393 7.435 5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -4.782 5.826 5.097 1.00 0.00 H new ATOM 377 N SER A 216 -5.061 9.835 2.707 1.00 0.00 N ATOM 378 CA SER A 216 -5.933 11.039 2.786 1.00 0.00 C ATOM 379 C SER A 216 -6.970 11.007 1.658 1.00 0.00 C ATOM 380 O SER A 216 -8.130 11.307 1.860 1.00 0.00 O ATOM 381 CB SER A 216 -5.068 12.293 2.648 1.00 0.00 C ATOM 382 OG SER A 216 -4.196 12.387 3.768 1.00 0.00 O ATOM 0 H SER A 216 -4.103 10.017 2.407 1.00 0.00 H new ATOM 0 HA SER A 216 -6.451 11.050 3.745 1.00 0.00 H new ATOM 0 HB2 SER A 216 -4.490 12.250 1.725 1.00 0.00 H new ATOM 0 HB3 SER A 216 -5.699 13.180 2.588 1.00 0.00 H new ATOM 0 HG SER A 216 -3.639 13.189 3.682 1.00 0.00 H new ATOM 388 N LEU A 217 -6.561 10.650 0.470 1.00 0.00 N ATOM 389 CA LEU A 217 -7.526 10.604 -0.667 1.00 0.00 C ATOM 390 C LEU A 217 -8.566 9.512 -0.421 1.00 0.00 C ATOM 391 O LEU A 217 -9.713 9.638 -0.800 1.00 0.00 O ATOM 392 CB LEU A 217 -6.782 10.307 -1.971 1.00 0.00 C ATOM 393 CG LEU A 217 -5.847 11.469 -2.307 1.00 0.00 C ATOM 394 CD1 LEU A 217 -5.043 11.129 -3.564 1.00 0.00 C ATOM 395 CD2 LEU A 217 -6.680 12.729 -2.561 1.00 0.00 C ATOM 0 H LEU A 217 -5.603 10.389 0.238 1.00 0.00 H new ATOM 0 HA LEU A 217 -8.024 11.570 -0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.210 9.384 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -7.495 10.155 -2.781 1.00 0.00 H new ATOM 0 HG LEU A 217 -5.164 11.642 -1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -4.376 11.957 -3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -4.455 10.229 -3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.725 10.959 -4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -6.018 13.561 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -7.360 12.554 -3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -7.256 12.970 -1.668 1.00 0.00 H new ATOM 407 N LYS A 218 -8.169 8.437 0.200 1.00 0.00 N ATOM 408 CA LYS A 218 -9.125 7.327 0.462 1.00 0.00 C ATOM 409 C LYS A 218 -10.316 7.840 1.266 1.00 0.00 C ATOM 410 O LYS A 218 -11.457 7.638 0.900 1.00 0.00 O ATOM 411 CB LYS A 218 -8.410 6.242 1.255 1.00 0.00 C ATOM 412 CG LYS A 218 -9.353 5.062 1.474 1.00 0.00 C ATOM 413 CD LYS A 218 -8.525 3.819 1.780 1.00 0.00 C ATOM 414 CE LYS A 218 -7.461 4.157 2.824 1.00 0.00 C ATOM 415 NZ LYS A 218 -6.989 2.906 3.482 1.00 0.00 N ATOM 0 H LYS A 218 -7.220 8.279 0.538 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.485 6.926 -0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -7.519 5.914 0.720 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -8.078 6.638 2.215 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -10.035 5.273 2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -9.965 4.899 0.587 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -9.170 3.021 2.148 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -8.052 3.451 0.869 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -6.623 4.669 2.351 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -7.872 4.839 3.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -6.265 3.139 4.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -7.791 2.434 3.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -6.581 2.270 2.767 1.00 0.00 H new ATOM 429 N THR A 219 -10.064 8.506 2.354 1.00 0.00 N ATOM 430 CA THR A 219 -11.187 9.030 3.172 1.00 0.00 C ATOM 431 C THR A 219 -11.953 10.079 2.363 1.00 0.00 C ATOM 432 O THR A 219 -13.155 10.216 2.485 1.00 0.00 O ATOM 433 CB THR A 219 -10.638 9.655 4.456 1.00 0.00 C ATOM 434 OG1 THR A 219 -9.817 8.707 5.124 1.00 0.00 O ATOM 435 CG2 THR A 219 -11.799 10.053 5.367 1.00 0.00 C ATOM 0 H THR A 219 -9.131 8.710 2.712 1.00 0.00 H new ATOM 0 HA THR A 219 -11.862 8.216 3.436 1.00 0.00 H new ATOM 0 HB THR A 219 -10.051 10.540 4.210 1.00 0.00 H new ATOM 0 HG1 THR A 219 -9.462 9.104 5.947 1.00 0.00 H new ATOM 0 HG21 THR A 219 -11.408 10.498 6.282 1.00 0.00 H new ATOM 0 HG22 THR A 219 -12.433 10.776 4.854 1.00 0.00 H new ATOM 0 HG23 THR A 219 -12.386 9.169 5.616 1.00 0.00 H new ATOM 443 N SER A 220 -11.268 10.816 1.532 1.00 0.00 N ATOM 444 CA SER A 220 -11.957 11.852 0.712 1.00 0.00 C ATOM 445 C SER A 220 -12.559 11.197 -0.533 1.00 0.00 C ATOM 446 O SER A 220 -13.410 11.761 -1.193 1.00 0.00 O ATOM 447 CB SER A 220 -10.946 12.915 0.288 1.00 0.00 C ATOM 448 OG SER A 220 -10.087 12.375 -0.708 1.00 0.00 O ATOM 0 H SER A 220 -10.261 10.745 1.386 1.00 0.00 H new ATOM 0 HA SER A 220 -12.750 12.315 1.299 1.00 0.00 H new ATOM 0 HB2 SER A 220 -11.464 13.792 -0.099 1.00 0.00 H new ATOM 0 HB3 SER A 220 -10.363 13.243 1.149 1.00 0.00 H new ATOM 0 HG SER A 220 -10.114 11.396 -0.668 1.00 0.00 H new ATOM 454 N ALA A 221 -12.125 10.010 -0.858 1.00 0.00 N ATOM 455 CA ALA A 221 -12.673 9.317 -2.058 1.00 0.00 C ATOM 456 C ALA A 221 -12.984 7.862 -1.708 1.00 0.00 C ATOM 457 O ALA A 221 -14.102 7.514 -1.383 1.00 0.00 O ATOM 458 CB ALA A 221 -11.643 9.362 -3.189 1.00 0.00 C ATOM 0 H ALA A 221 -11.414 9.490 -0.344 1.00 0.00 H new ATOM 0 HA ALA A 221 -13.587 9.816 -2.380 1.00 0.00 H new ATOM 0 HB1 ALA A 221 -12.044 8.855 -4.067 1.00 0.00 H new ATOM 0 HB2 ALA A 221 -11.422 10.400 -3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 221 -10.728 8.863 -2.868 1.00 0.00 H new ATOM 464 N GLY A 222 -12.001 7.009 -1.776 1.00 0.00 N ATOM 465 CA GLY A 222 -12.228 5.575 -1.452 1.00 0.00 C ATOM 466 C GLY A 222 -11.225 4.726 -2.229 1.00 0.00 C ATOM 467 O GLY A 222 -11.012 4.926 -3.409 1.00 0.00 O ATOM 0 H GLY A 222 -11.046 7.245 -2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -12.113 5.408 -0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -13.247 5.287 -1.712 1.00 0.00 H new ATOM 471 N CYS A 223 -10.606 3.780 -1.581 1.00 0.00 N ATOM 472 CA CYS A 223 -9.618 2.923 -2.289 1.00 0.00 C ATOM 473 C CYS A 223 -10.307 2.228 -3.464 1.00 0.00 C ATOM 474 O CYS A 223 -9.746 2.093 -4.533 1.00 0.00 O ATOM 475 CB CYS A 223 -9.064 1.886 -1.313 1.00 0.00 C ATOM 476 SG CYS A 223 -9.617 0.229 -1.791 1.00 0.00 S ATOM 0 H CYS A 223 -10.742 3.564 -0.593 1.00 0.00 H new ATOM 0 HA CYS A 223 -8.796 3.531 -2.667 1.00 0.00 H new ATOM 0 HB2 CYS A 223 -7.975 1.927 -1.305 1.00 0.00 H new ATOM 0 HB3 CYS A 223 -9.398 2.112 -0.301 1.00 0.00 H new ATOM 481 N LYS A 224 -11.526 1.803 -3.282 1.00 0.00 N ATOM 482 CA LYS A 224 -12.254 1.137 -4.398 1.00 0.00 C ATOM 483 C LYS A 224 -12.346 2.111 -5.574 1.00 0.00 C ATOM 484 O LYS A 224 -12.479 1.717 -6.716 1.00 0.00 O ATOM 485 CB LYS A 224 -13.663 0.763 -3.936 1.00 0.00 C ATOM 486 CG LYS A 224 -13.575 -0.268 -2.808 1.00 0.00 C ATOM 487 CD LYS A 224 -14.985 -0.709 -2.410 1.00 0.00 C ATOM 488 CE LYS A 224 -14.903 -1.642 -1.201 1.00 0.00 C ATOM 489 NZ LYS A 224 -13.888 -2.700 -1.457 1.00 0.00 N ATOM 0 H LYS A 224 -12.049 1.888 -2.410 1.00 0.00 H new ATOM 0 HA LYS A 224 -11.724 0.234 -4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 224 -14.191 1.651 -3.590 1.00 0.00 H new ATOM 0 HB3 LYS A 224 -14.235 0.357 -4.770 1.00 0.00 H new ATOM 0 HG2 LYS A 224 -12.991 -1.129 -3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 224 -13.060 0.161 -1.948 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -15.596 0.161 -2.171 1.00 0.00 H new ATOM 0 HD3 LYS A 224 -15.468 -1.218 -3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 224 -14.636 -1.076 -0.309 1.00 0.00 H new ATOM 0 HE3 LYS A 224 -15.876 -2.095 -1.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 -14.049 -3.499 -0.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 -13.969 -3.028 -2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 -12.936 -2.313 -1.299 1.00 0.00 H new ATOM 503 N HIS A 225 -12.284 3.384 -5.294 1.00 0.00 N ATOM 504 CA HIS A 225 -12.375 4.400 -6.379 1.00 0.00 C ATOM 505 C HIS A 225 -11.372 4.067 -7.486 1.00 0.00 C ATOM 506 O HIS A 225 -10.303 3.548 -7.234 1.00 0.00 O ATOM 507 CB HIS A 225 -12.061 5.783 -5.806 1.00 0.00 C ATOM 508 CG HIS A 225 -12.511 6.838 -6.777 1.00 0.00 C ATOM 509 ND1 HIS A 225 -12.091 6.851 -8.099 1.00 0.00 N ATOM 510 CD2 HIS A 225 -13.346 7.918 -6.636 1.00 0.00 C ATOM 511 CE1 HIS A 225 -12.672 7.907 -8.697 1.00 0.00 C ATOM 512 NE2 HIS A 225 -13.445 8.587 -7.850 1.00 0.00 N ATOM 0 H HIS A 225 -12.174 3.765 -4.354 1.00 0.00 H new ATOM 0 HA HIS A 225 -13.383 4.395 -6.794 1.00 0.00 H new ATOM 0 HB2 HIS A 225 -12.565 5.915 -4.849 1.00 0.00 H new ATOM 0 HB3 HIS A 225 -10.991 5.877 -5.619 1.00 0.00 H new ATOM 0 HD2 HIS A 225 -13.848 8.204 -5.723 1.00 0.00 H new ATOM 0 HE1 HIS A 225 -12.530 8.171 -9.735 1.00 0.00 H new ATOM 0 HE2 HIS A 225 -13.994 9.423 -8.051 1.00 0.00 H new ATOM 521 N GLU A 226 -11.717 4.355 -8.712 1.00 0.00 N ATOM 522 CA GLU A 226 -10.797 4.050 -9.844 1.00 0.00 C ATOM 523 C GLU A 226 -9.535 4.914 -9.751 1.00 0.00 C ATOM 524 O GLU A 226 -8.444 4.467 -10.048 1.00 0.00 O ATOM 525 CB GLU A 226 -11.509 4.345 -11.165 1.00 0.00 C ATOM 526 CG GLU A 226 -12.727 3.430 -11.306 1.00 0.00 C ATOM 527 CD GLU A 226 -12.270 1.971 -11.355 1.00 0.00 C ATOM 528 OE1 GLU A 226 -11.100 1.746 -11.620 1.00 0.00 O ATOM 529 OE2 GLU A 226 -13.096 1.104 -11.128 1.00 0.00 O ATOM 0 H GLU A 226 -12.600 4.790 -8.979 1.00 0.00 H new ATOM 0 HA GLU A 226 -10.513 2.999 -9.796 1.00 0.00 H new ATOM 0 HB2 GLU A 226 -11.820 5.389 -11.197 1.00 0.00 H new ATOM 0 HB3 GLU A 226 -10.826 4.190 -12.000 1.00 0.00 H new ATOM 0 HG2 GLU A 226 -13.407 3.581 -10.467 1.00 0.00 H new ATOM 0 HG3 GLU A 226 -13.279 3.679 -12.212 1.00 0.00 H new ATOM 537 N LEU A 227 -9.670 6.151 -9.353 1.00 0.00 N ATOM 538 CA LEU A 227 -8.471 7.033 -9.260 1.00 0.00 C ATOM 539 C LEU A 227 -7.447 6.415 -8.310 1.00 0.00 C ATOM 540 O LEU A 227 -6.281 6.296 -8.632 1.00 0.00 O ATOM 541 CB LEU A 227 -8.883 8.414 -8.748 1.00 0.00 C ATOM 542 CG LEU A 227 -9.022 9.373 -9.931 1.00 0.00 C ATOM 543 CD1 LEU A 227 -10.043 8.819 -10.926 1.00 0.00 C ATOM 544 CD2 LEU A 227 -9.492 10.739 -9.429 1.00 0.00 C ATOM 0 H LEU A 227 -10.554 6.587 -9.090 1.00 0.00 H new ATOM 0 HA LEU A 227 -8.025 7.136 -10.249 1.00 0.00 H new ATOM 0 HB2 LEU A 227 -9.827 8.347 -8.207 1.00 0.00 H new ATOM 0 HB3 LEU A 227 -8.139 8.791 -8.046 1.00 0.00 H new ATOM 0 HG LEU A 227 -8.056 9.478 -10.424 1.00 0.00 H new ATOM 0 HD11 LEU A 227 -10.140 9.505 -11.768 1.00 0.00 H new ATOM 0 HD12 LEU A 227 -9.709 7.846 -11.287 1.00 0.00 H new ATOM 0 HD13 LEU A 227 -11.009 8.711 -10.433 1.00 0.00 H new ATOM 0 HD21 LEU A 227 -9.591 11.422 -10.272 1.00 0.00 H new ATOM 0 HD22 LEU A 227 -10.457 10.632 -8.933 1.00 0.00 H new ATOM 0 HD23 LEU A 227 -8.764 11.137 -8.723 1.00 0.00 H new ATOM 556 N LEU A 228 -7.870 6.003 -7.150 1.00 0.00 N ATOM 557 CA LEU A 228 -6.917 5.377 -6.197 1.00 0.00 C ATOM 558 C LEU A 228 -6.417 4.072 -6.804 1.00 0.00 C ATOM 559 O LEU A 228 -5.378 3.557 -6.446 1.00 0.00 O ATOM 560 CB LEU A 228 -7.611 5.112 -4.853 1.00 0.00 C ATOM 561 CG LEU A 228 -7.560 6.383 -3.995 1.00 0.00 C ATOM 562 CD1 LEU A 228 -8.631 7.367 -4.467 1.00 0.00 C ATOM 563 CD2 LEU A 228 -7.811 6.024 -2.529 1.00 0.00 C ATOM 0 H LEU A 228 -8.833 6.073 -6.821 1.00 0.00 H new ATOM 0 HA LEU A 228 -6.075 6.046 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 228 -8.646 4.813 -5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 228 -7.120 4.289 -4.333 1.00 0.00 H new ATOM 0 HG LEU A 228 -6.577 6.843 -4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 228 -8.592 8.268 -3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 228 -8.451 7.628 -5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 228 -9.615 6.907 -4.373 1.00 0.00 H new ATOM 0 HD21 LEU A 228 -7.774 6.928 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 228 -8.793 5.561 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 228 -7.045 5.327 -2.189 1.00 0.00 H new ATOM 575 N LYS A 229 -7.170 3.535 -7.716 1.00 0.00 N ATOM 576 CA LYS A 229 -6.783 2.257 -8.363 1.00 0.00 C ATOM 577 C LYS A 229 -5.613 2.473 -9.332 1.00 0.00 C ATOM 578 O LYS A 229 -5.119 1.533 -9.918 1.00 0.00 O ATOM 579 CB LYS A 229 -7.987 1.708 -9.131 1.00 0.00 C ATOM 580 CG LYS A 229 -7.867 0.189 -9.263 1.00 0.00 C ATOM 581 CD LYS A 229 -7.995 -0.451 -7.879 1.00 0.00 C ATOM 582 CE LYS A 229 -9.034 -1.572 -7.919 1.00 0.00 C ATOM 583 NZ LYS A 229 -9.274 -2.070 -6.534 1.00 0.00 N ATOM 0 H LYS A 229 -8.050 3.933 -8.045 1.00 0.00 H new ATOM 0 HA LYS A 229 -6.469 1.549 -7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 229 -8.910 1.965 -8.611 1.00 0.00 H new ATOM 0 HB3 LYS A 229 -8.039 2.165 -10.119 1.00 0.00 H new ATOM 0 HG2 LYS A 229 -8.644 -0.192 -9.926 1.00 0.00 H new ATOM 0 HG3 LYS A 229 -6.909 -0.074 -9.711 1.00 0.00 H new ATOM 0 HD2 LYS A 229 -7.031 -0.848 -7.562 1.00 0.00 H new ATOM 0 HD3 LYS A 229 -8.287 0.301 -7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 229 -9.965 -1.206 -8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 229 -8.684 -2.385 -8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 -9.183 -3.106 -6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 -8.575 -1.650 -5.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 -10.232 -1.802 -6.230 1.00 0.00 H new ATOM 597 N THR A 230 -5.173 3.693 -9.530 1.00 0.00 N ATOM 598 CA THR A 230 -4.044 3.912 -10.487 1.00 0.00 C ATOM 599 C THR A 230 -2.812 4.493 -9.770 1.00 0.00 C ATOM 600 O THR A 230 -1.691 4.168 -10.112 1.00 0.00 O ATOM 601 CB THR A 230 -4.500 4.839 -11.624 1.00 0.00 C ATOM 602 OG1 THR A 230 -3.753 4.544 -12.796 1.00 0.00 O ATOM 603 CG2 THR A 230 -4.292 6.305 -11.247 1.00 0.00 C ATOM 0 H THR A 230 -5.539 4.532 -9.080 1.00 0.00 H new ATOM 0 HA THR A 230 -3.754 2.949 -10.908 1.00 0.00 H new ATOM 0 HB THR A 230 -5.562 4.675 -11.803 1.00 0.00 H new ATOM 0 HG1 THR A 230 -4.042 5.132 -13.525 1.00 0.00 H new ATOM 0 HG21 THR A 230 -4.622 6.942 -12.068 1.00 0.00 H new ATOM 0 HG22 THR A 230 -4.871 6.536 -10.353 1.00 0.00 H new ATOM 0 HG23 THR A 230 -3.235 6.484 -11.051 1.00 0.00 H new ATOM 611 N LYS A 231 -2.993 5.327 -8.775 1.00 0.00 N ATOM 612 CA LYS A 231 -1.802 5.886 -8.053 1.00 0.00 C ATOM 613 C LYS A 231 -1.812 5.384 -6.607 1.00 0.00 C ATOM 614 O LYS A 231 -0.797 5.357 -5.941 1.00 0.00 O ATOM 615 CB LYS A 231 -1.822 7.421 -8.062 1.00 0.00 C ATOM 616 CG LYS A 231 -3.246 7.934 -8.242 1.00 0.00 C ATOM 617 CD LYS A 231 -4.098 7.472 -7.066 1.00 0.00 C ATOM 618 CE LYS A 231 -5.288 8.421 -6.891 1.00 0.00 C ATOM 619 NZ LYS A 231 -4.792 9.817 -6.745 1.00 0.00 N ATOM 0 H LYS A 231 -3.901 5.643 -8.433 1.00 0.00 H new ATOM 0 HA LYS A 231 -0.898 5.553 -8.562 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -1.407 7.802 -7.129 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -1.190 7.794 -8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -3.248 9.022 -8.303 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -3.664 7.562 -9.177 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -4.452 6.456 -7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -3.499 7.451 -6.156 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -5.954 8.348 -7.751 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -5.868 8.136 -6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -5.598 10.460 -6.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -4.159 9.876 -5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -4.271 10.092 -7.602 1.00 0.00 H new ATOM 633 N CYS A 232 -2.955 4.977 -6.119 1.00 0.00 N ATOM 634 CA CYS A 232 -3.039 4.465 -4.721 1.00 0.00 C ATOM 635 C CYS A 232 -3.291 2.961 -4.762 1.00 0.00 C ATOM 636 O CYS A 232 -3.926 2.396 -3.893 1.00 0.00 O ATOM 637 CB CYS A 232 -4.186 5.157 -3.995 1.00 0.00 C ATOM 638 SG CYS A 232 -3.789 6.908 -3.804 1.00 0.00 S ATOM 0 H CYS A 232 -3.837 4.978 -6.632 1.00 0.00 H new ATOM 0 HA CYS A 232 -2.107 4.669 -4.193 1.00 0.00 H new ATOM 0 HB2 CYS A 232 -5.113 5.040 -4.557 1.00 0.00 H new ATOM 0 HB3 CYS A 232 -4.345 4.698 -3.019 1.00 0.00 H new ATOM 643 N GLN A 233 -2.803 2.317 -5.780 1.00 0.00 N ATOM 644 CA GLN A 233 -3.008 0.850 -5.920 1.00 0.00 C ATOM 645 C GLN A 233 -2.566 0.119 -4.649 1.00 0.00 C ATOM 646 O GLN A 233 -3.175 -0.849 -4.243 1.00 0.00 O ATOM 647 CB GLN A 233 -2.184 0.351 -7.107 1.00 0.00 C ATOM 648 CG GLN A 233 -2.760 0.934 -8.398 1.00 0.00 C ATOM 649 CD GLN A 233 -1.929 0.464 -9.594 1.00 0.00 C ATOM 650 OE1 GLN A 233 -1.368 -0.612 -9.573 1.00 0.00 O ATOM 651 NE2 GLN A 233 -1.825 1.233 -10.644 1.00 0.00 N ATOM 0 H GLN A 233 -2.264 2.748 -6.531 1.00 0.00 H new ATOM 0 HA GLN A 233 -4.067 0.650 -6.082 1.00 0.00 H new ATOM 0 HB2 GLN A 233 -1.142 0.649 -6.993 1.00 0.00 H new ATOM 0 HB3 GLN A 233 -2.202 -0.738 -7.146 1.00 0.00 H new ATOM 0 HG2 GLN A 233 -3.797 0.621 -8.518 1.00 0.00 H new ATOM 0 HG3 GLN A 233 -2.759 2.023 -8.348 1.00 0.00 H new ATOM 0 HE21 GLN A 233 -2.296 2.137 -10.662 1.00 0.00 H new ATOM 0 HE22 GLN A 233 -1.273 0.929 -11.446 1.00 0.00 H new ATOM 660 N ALA A 234 -1.519 0.563 -4.015 1.00 0.00 N ATOM 661 CA ALA A 234 -1.061 -0.128 -2.777 1.00 0.00 C ATOM 662 C ALA A 234 -2.006 0.193 -1.620 1.00 0.00 C ATOM 663 O ALA A 234 -2.291 -0.645 -0.791 1.00 0.00 O ATOM 664 CB ALA A 234 0.354 0.329 -2.426 1.00 0.00 C ATOM 0 H ALA A 234 -0.962 1.370 -4.297 1.00 0.00 H new ATOM 0 HA ALA A 234 -1.061 -1.204 -2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 234 0.686 -0.178 -1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 234 1.029 0.085 -3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 234 0.358 1.406 -2.261 1.00 0.00 H new ATOM 670 N THR A 235 -2.492 1.398 -1.554 1.00 0.00 N ATOM 671 CA THR A 235 -3.415 1.763 -0.446 1.00 0.00 C ATOM 672 C THR A 235 -4.744 1.020 -0.626 1.00 0.00 C ATOM 673 O THR A 235 -5.443 0.741 0.327 1.00 0.00 O ATOM 674 CB THR A 235 -3.640 3.277 -0.458 1.00 0.00 C ATOM 675 OG1 THR A 235 -2.645 3.904 0.339 1.00 0.00 O ATOM 676 CG2 THR A 235 -5.025 3.611 0.097 1.00 0.00 C ATOM 0 H THR A 235 -2.291 2.146 -2.218 1.00 0.00 H new ATOM 0 HA THR A 235 -2.982 1.478 0.513 1.00 0.00 H new ATOM 0 HB THR A 235 -3.576 3.640 -1.484 1.00 0.00 H new ATOM 0 HG1 THR A 235 -1.762 3.559 0.091 1.00 0.00 H new ATOM 0 HG21 THR A 235 -5.172 4.691 0.083 1.00 0.00 H new ATOM 0 HG22 THR A 235 -5.788 3.133 -0.517 1.00 0.00 H new ATOM 0 HG23 THR A 235 -5.104 3.248 1.122 1.00 0.00 H new ATOM 684 N CYS A 236 -5.094 0.701 -1.842 1.00 0.00 N ATOM 685 CA CYS A 236 -6.376 -0.023 -2.091 1.00 0.00 C ATOM 686 C CYS A 236 -6.105 -1.518 -2.275 1.00 0.00 C ATOM 687 O CYS A 236 -6.533 -2.342 -1.490 1.00 0.00 O ATOM 688 CB CYS A 236 -7.028 0.535 -3.360 1.00 0.00 C ATOM 689 SG CYS A 236 -8.695 -0.145 -3.551 1.00 0.00 S ATOM 0 H CYS A 236 -4.547 0.911 -2.677 1.00 0.00 H new ATOM 0 HA CYS A 236 -7.041 0.116 -1.239 1.00 0.00 H new ATOM 0 HB2 CYS A 236 -7.074 1.623 -3.307 1.00 0.00 H new ATOM 0 HB3 CYS A 236 -6.422 0.284 -4.231 1.00 0.00 H new ATOM 694 N LEU A 237 -5.410 -1.874 -3.317 1.00 0.00 N ATOM 695 CA LEU A 237 -5.118 -3.311 -3.574 1.00 0.00 C ATOM 696 C LEU A 237 -4.269 -3.892 -2.437 1.00 0.00 C ATOM 697 O LEU A 237 -4.402 -5.046 -2.085 1.00 0.00 O ATOM 698 CB LEU A 237 -4.381 -3.435 -4.905 1.00 0.00 C ATOM 699 CG LEU A 237 -5.213 -2.759 -5.999 1.00 0.00 C ATOM 700 CD1 LEU A 237 -4.535 -2.951 -7.356 1.00 0.00 C ATOM 701 CD2 LEU A 237 -6.610 -3.383 -6.038 1.00 0.00 C ATOM 0 H LEU A 237 -5.029 -1.227 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 237 -6.051 -3.872 -3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 237 -3.398 -2.968 -4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 237 -4.219 -4.485 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 237 -5.294 -1.694 -5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 237 -5.130 -2.469 -8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 237 -3.540 -2.506 -7.332 1.00 0.00 H new ATOM 0 HD13 LEU A 237 -4.451 -4.016 -7.573 1.00 0.00 H new ATOM 0 HD21 LEU A 237 -7.202 -2.902 -6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 237 -6.527 -4.449 -6.252 1.00 0.00 H new ATOM 0 HD23 LEU A 237 -7.098 -3.244 -5.073 1.00 0.00 H new