USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=10 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= -2.93! K(o=-2.9!,f=-0.074) USER MOD Set 2.1: A 195 ASN : amide:sc= -4.8! K(o=-3.8!,f=2.9) USER MOD Set 2.2: A 202 THR OG1 : rot 180:sc= 0.956 USER MOD Single : A 191 SER OG : rot 180:sc= 0 USER MOD Single : A 194 ASN : amide:sc= -0.984 K(o=-0.98,f=0) USER MOD Single : A 198 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.081) USER MOD Single : A 203 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.23) 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 180:sc= 0 USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 225 HIS : no HD1:sc= -4.77! C(o=-4.8!,f=-15!) USER MOD Single : A 229 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.24) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 LYS NZ :NH3+ -162:sc= -3.5! (180deg=-4.22!) USER MOD Single : A 233 GLN : amide:sc= -3.66! C(o=-3.7!,f=-7.9!) USER MOD Single : A 235 THR OG1 : rot 25:sc= -0.194 USER MOD ----------------------------------------------------------------- ATOM 18 N CYS A 189 17.341 -8.829 0.567 1.00 0.00 N ATOM 19 CA CYS A 189 16.988 -7.735 1.515 1.00 0.00 C ATOM 20 C CYS A 189 17.686 -6.443 1.092 1.00 0.00 C ATOM 21 O CYS A 189 17.236 -5.357 1.396 1.00 0.00 O ATOM 22 CB CYS A 189 17.434 -8.115 2.928 1.00 0.00 C ATOM 23 SG CYS A 189 16.345 -9.406 3.578 1.00 0.00 S ATOM 0 HA CYS A 189 15.908 -7.585 1.503 1.00 0.00 H new ATOM 0 HB2 CYS A 189 18.465 -8.468 2.913 1.00 0.00 H new ATOM 0 HB3 CYS A 189 17.406 -7.240 3.577 1.00 0.00 H new ATOM 28 N ALA A 190 18.781 -6.547 0.390 1.00 0.00 N ATOM 29 CA ALA A 190 19.495 -5.318 -0.049 1.00 0.00 C ATOM 30 C ALA A 190 18.540 -4.455 -0.876 1.00 0.00 C ATOM 31 O ALA A 190 18.557 -3.242 -0.796 1.00 0.00 O ATOM 32 CB ALA A 190 20.703 -5.705 -0.903 1.00 0.00 C ATOM 0 H ALA A 190 19.210 -7.427 0.103 1.00 0.00 H new ATOM 0 HA ALA A 190 19.836 -4.759 0.823 1.00 0.00 H new ATOM 0 HB1 ALA A 190 21.225 -4.804 -1.224 1.00 0.00 H new ATOM 0 HB2 ALA A 190 21.379 -6.327 -0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 190 20.367 -6.261 -1.778 1.00 0.00 H new ATOM 38 N SER A 191 17.701 -5.071 -1.665 1.00 0.00 N ATOM 39 CA SER A 191 16.742 -4.284 -2.488 1.00 0.00 C ATOM 40 C SER A 191 15.438 -4.085 -1.708 1.00 0.00 C ATOM 41 O SER A 191 14.628 -3.245 -2.043 1.00 0.00 O ATOM 42 CB SER A 191 16.454 -5.036 -3.789 1.00 0.00 C ATOM 43 OG SER A 191 15.780 -6.253 -3.491 1.00 0.00 O ATOM 0 H SER A 191 17.639 -6.083 -1.774 1.00 0.00 H new ATOM 0 HA SER A 191 17.174 -3.310 -2.719 1.00 0.00 H new ATOM 0 HB2 SER A 191 15.843 -4.421 -4.450 1.00 0.00 H new ATOM 0 HB3 SER A 191 17.385 -5.243 -4.317 1.00 0.00 H new ATOM 0 HG SER A 191 15.593 -6.736 -4.323 1.00 0.00 H new ATOM 49 N CYS A 192 15.232 -4.847 -0.666 1.00 0.00 N ATOM 50 CA CYS A 192 13.983 -4.693 0.133 1.00 0.00 C ATOM 51 C CYS A 192 14.297 -4.869 1.623 1.00 0.00 C ATOM 52 O CYS A 192 13.849 -5.806 2.252 1.00 0.00 O ATOM 53 CB CYS A 192 12.969 -5.754 -0.301 1.00 0.00 C ATOM 54 SG CYS A 192 13.850 -7.203 -0.932 1.00 0.00 S ATOM 0 H CYS A 192 15.874 -5.567 -0.335 1.00 0.00 H new ATOM 0 HA CYS A 192 13.568 -3.699 -0.033 1.00 0.00 H new ATOM 0 HB2 CYS A 192 12.338 -6.037 0.542 1.00 0.00 H new ATOM 0 HB3 CYS A 192 12.311 -5.351 -1.071 1.00 0.00 H new ATOM 59 N PRO A 193 15.062 -3.969 2.181 1.00 0.00 N ATOM 60 CA PRO A 193 15.447 -4.018 3.622 1.00 0.00 C ATOM 61 C PRO A 193 14.234 -3.945 4.557 1.00 0.00 C ATOM 62 O PRO A 193 14.297 -4.344 5.703 1.00 0.00 O ATOM 63 CB PRO A 193 16.338 -2.786 3.819 1.00 0.00 C ATOM 64 CG PRO A 193 16.748 -2.351 2.451 1.00 0.00 C ATOM 65 CD PRO A 193 15.647 -2.809 1.498 1.00 0.00 C ATOM 0 HA PRO A 193 15.944 -4.957 3.864 1.00 0.00 H new ATOM 0 HB2 PRO A 193 15.798 -1.992 4.335 1.00 0.00 H new ATOM 0 HB3 PRO A 193 17.209 -3.028 4.429 1.00 0.00 H new ATOM 0 HG2 PRO A 193 16.871 -1.269 2.409 1.00 0.00 H new ATOM 0 HG3 PRO A 193 17.706 -2.791 2.176 1.00 0.00 H new ATOM 0 HD2 PRO A 193 14.907 -2.025 1.333 1.00 0.00 H new ATOM 0 HD3 PRO A 193 16.048 -3.079 0.521 1.00 0.00 H new ATOM 73 N ASN A 194 13.134 -3.424 4.084 1.00 0.00 N ATOM 74 CA ASN A 194 11.929 -3.314 4.956 1.00 0.00 C ATOM 75 C ASN A 194 11.060 -4.568 4.824 1.00 0.00 C ATOM 76 O ASN A 194 9.991 -4.652 5.394 1.00 0.00 O ATOM 77 CB ASN A 194 11.118 -2.085 4.544 1.00 0.00 C ATOM 78 CG ASN A 194 12.012 -0.846 4.599 1.00 0.00 C ATOM 79 OD1 ASN A 194 11.802 0.102 3.869 1.00 0.00 O ATOM 80 ND2 ASN A 194 13.012 -0.816 5.437 1.00 0.00 N ATOM 0 H ASN A 194 13.018 -3.071 3.134 1.00 0.00 H new ATOM 0 HA ASN A 194 12.249 -3.216 5.993 1.00 0.00 H new ATOM 0 HB2 ASN A 194 10.722 -2.217 3.537 1.00 0.00 H new ATOM 0 HB3 ASN A 194 10.263 -1.960 5.208 1.00 0.00 H new ATOM 0 HD21 ASN A 194 13.618 0.004 5.479 1.00 0.00 H new ATOM 0 HD22 ASN A 194 13.188 -1.612 6.050 1.00 0.00 H new ATOM 87 N ASN A 195 11.503 -5.546 4.082 1.00 0.00 N ATOM 88 CA ASN A 195 10.687 -6.784 3.931 1.00 0.00 C ATOM 89 C ASN A 195 11.614 -7.988 3.762 1.00 0.00 C ATOM 90 O ASN A 195 12.159 -8.219 2.701 1.00 0.00 O ATOM 91 CB ASN A 195 9.787 -6.652 2.700 1.00 0.00 C ATOM 92 CG ASN A 195 8.686 -7.712 2.753 1.00 0.00 C ATOM 93 OD1 ASN A 195 7.903 -7.746 3.682 1.00 0.00 O ATOM 94 ND2 ASN A 195 8.588 -8.584 1.787 1.00 0.00 N ATOM 0 H ASN A 195 12.389 -5.542 3.577 1.00 0.00 H new ATOM 0 HA ASN A 195 10.070 -6.925 4.818 1.00 0.00 H new ATOM 0 HB2 ASN A 195 9.345 -5.656 2.665 1.00 0.00 H new ATOM 0 HB3 ASN A 195 10.377 -6.771 1.791 1.00 0.00 H new ATOM 0 HD21 ASN A 195 7.855 -9.293 1.812 1.00 0.00 H new ATOM 0 HD22 ASN A 195 9.244 -8.557 1.007 1.00 0.00 H new ATOM 101 N CYS A 196 11.802 -8.755 4.803 1.00 0.00 N ATOM 102 CA CYS A 196 12.700 -9.941 4.700 1.00 0.00 C ATOM 103 C CYS A 196 12.016 -11.173 5.294 1.00 0.00 C ATOM 104 O CYS A 196 11.160 -11.076 6.150 1.00 0.00 O ATOM 105 CB CYS A 196 13.996 -9.665 5.463 1.00 0.00 C ATOM 106 SG CYS A 196 14.939 -8.382 4.606 1.00 0.00 S ATOM 0 H CYS A 196 11.374 -8.612 5.718 1.00 0.00 H new ATOM 0 HA CYS A 196 12.922 -10.128 3.649 1.00 0.00 H new ATOM 0 HB2 CYS A 196 13.771 -9.347 6.481 1.00 0.00 H new ATOM 0 HB3 CYS A 196 14.588 -10.577 5.538 1.00 0.00 H new ATOM 111 N GLU A 197 12.410 -12.333 4.852 1.00 0.00 N ATOM 112 CA GLU A 197 11.817 -13.590 5.386 1.00 0.00 C ATOM 113 C GLU A 197 12.859 -14.700 5.253 1.00 0.00 C ATOM 114 O GLU A 197 13.106 -15.202 4.175 1.00 0.00 O ATOM 115 CB GLU A 197 10.567 -13.958 4.585 1.00 0.00 C ATOM 116 CG GLU A 197 9.879 -15.156 5.243 1.00 0.00 C ATOM 117 CD GLU A 197 8.677 -15.584 4.400 1.00 0.00 C ATOM 118 OE1 GLU A 197 7.987 -16.503 4.809 1.00 0.00 O ATOM 119 OE2 GLU A 197 8.467 -14.986 3.357 1.00 0.00 O ATOM 0 H GLU A 197 13.125 -12.466 4.136 1.00 0.00 H new ATOM 0 HA GLU A 197 11.534 -13.458 6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 197 9.884 -13.109 4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 197 10.838 -14.199 3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 197 10.582 -15.984 5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 197 9.555 -14.894 6.250 1.00 0.00 H new ATOM 127 N ASN A 198 13.485 -15.070 6.333 1.00 0.00 N ATOM 128 CA ASN A 198 14.528 -16.129 6.262 1.00 0.00 C ATOM 129 C ASN A 198 15.614 -15.692 5.273 1.00 0.00 C ATOM 130 O ASN A 198 16.250 -16.506 4.633 1.00 0.00 O ATOM 131 CB ASN A 198 13.902 -17.446 5.790 1.00 0.00 C ATOM 132 CG ASN A 198 12.766 -17.840 6.736 1.00 0.00 C ATOM 133 OD1 ASN A 198 11.682 -18.171 6.298 1.00 0.00 O ATOM 134 ND2 ASN A 198 12.970 -17.820 8.025 1.00 0.00 N ATOM 0 H ASN A 198 13.320 -14.685 7.263 1.00 0.00 H new ATOM 0 HA ASN A 198 14.965 -16.279 7.249 1.00 0.00 H new ATOM 0 HB2 ASN A 198 13.522 -17.337 4.774 1.00 0.00 H new ATOM 0 HB3 ASN A 198 14.657 -18.231 5.765 1.00 0.00 H new ATOM 0 HD21 ASN A 198 12.220 -18.082 8.664 1.00 0.00 H new ATOM 0 HD22 ASN A 198 13.880 -17.542 8.393 1.00 0.00 H new ATOM 141 N GLY A 199 15.835 -14.409 5.152 1.00 0.00 N ATOM 142 CA GLY A 199 16.883 -13.913 4.214 1.00 0.00 C ATOM 143 C GLY A 199 16.259 -13.567 2.858 1.00 0.00 C ATOM 144 O GLY A 199 16.924 -13.061 1.976 1.00 0.00 O ATOM 0 H GLY A 199 15.334 -13.683 5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 199 17.370 -13.033 4.634 1.00 0.00 H new ATOM 0 HA3 GLY A 199 17.654 -14.672 4.084 1.00 0.00 H new ATOM 148 N LEU A 200 14.992 -13.836 2.678 1.00 0.00 N ATOM 149 CA LEU A 200 14.341 -13.520 1.370 1.00 0.00 C ATOM 150 C LEU A 200 13.165 -12.561 1.581 1.00 0.00 C ATOM 151 O LEU A 200 12.459 -12.637 2.566 1.00 0.00 O ATOM 152 CB LEU A 200 13.830 -14.812 0.730 1.00 0.00 C ATOM 153 CG LEU A 200 14.823 -15.290 -0.331 1.00 0.00 C ATOM 154 CD1 LEU A 200 14.873 -14.280 -1.479 1.00 0.00 C ATOM 155 CD2 LEU A 200 16.214 -15.422 0.294 1.00 0.00 C ATOM 0 H LEU A 200 14.381 -14.259 3.377 1.00 0.00 H new ATOM 0 HA LEU A 200 15.074 -13.047 0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 200 13.700 -15.580 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 200 12.853 -14.643 0.278 1.00 0.00 H new ATOM 0 HG LEU A 200 14.504 -16.259 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 200 15.581 -14.622 -2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 200 13.883 -14.187 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 200 15.191 -13.310 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 200 16.922 -15.763 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 200 16.533 -14.454 0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 200 16.179 -16.144 1.110 1.00 0.00 H new ATOM 167 N CYS A 201 12.945 -11.667 0.654 1.00 0.00 N ATOM 168 CA CYS A 201 11.808 -10.711 0.793 1.00 0.00 C ATOM 169 C CYS A 201 10.514 -11.398 0.356 1.00 0.00 C ATOM 170 O CYS A 201 10.528 -12.305 -0.452 1.00 0.00 O ATOM 171 CB CYS A 201 12.056 -9.487 -0.091 1.00 0.00 C ATOM 172 SG CYS A 201 13.543 -8.621 0.472 1.00 0.00 S ATOM 0 H CYS A 201 13.503 -11.557 -0.193 1.00 0.00 H new ATOM 0 HA CYS A 201 11.723 -10.396 1.833 1.00 0.00 H new ATOM 0 HB2 CYS A 201 12.174 -9.794 -1.130 1.00 0.00 H new ATOM 0 HB3 CYS A 201 11.197 -8.818 -0.052 1.00 0.00 H new ATOM 177 N THR A 202 9.396 -10.980 0.884 1.00 0.00 N ATOM 178 CA THR A 202 8.108 -11.621 0.495 1.00 0.00 C ATOM 179 C THR A 202 7.443 -10.814 -0.623 1.00 0.00 C ATOM 180 O THR A 202 6.551 -11.289 -1.297 1.00 0.00 O ATOM 181 CB THR A 202 7.179 -11.665 1.710 1.00 0.00 C ATOM 182 OG1 THR A 202 6.758 -10.346 2.029 1.00 0.00 O ATOM 183 CG2 THR A 202 7.925 -12.268 2.902 1.00 0.00 C ATOM 0 H THR A 202 9.319 -10.225 1.566 1.00 0.00 H new ATOM 0 HA THR A 202 8.301 -12.634 0.141 1.00 0.00 H new ATOM 0 HB THR A 202 6.308 -12.279 1.481 1.00 0.00 H new ATOM 0 HG1 THR A 202 6.162 -10.372 2.807 1.00 0.00 H new ATOM 0 HG21 THR A 202 7.263 -12.299 3.767 1.00 0.00 H new ATOM 0 HG22 THR A 202 8.248 -13.279 2.655 1.00 0.00 H new ATOM 0 HG23 THR A 202 8.796 -11.655 3.134 1.00 0.00 H new ATOM 191 N ASN A 203 7.869 -9.598 -0.826 1.00 0.00 N ATOM 192 CA ASN A 203 7.259 -8.766 -1.901 1.00 0.00 C ATOM 193 C ASN A 203 5.735 -8.805 -1.764 1.00 0.00 C ATOM 194 O ASN A 203 5.019 -8.941 -2.737 1.00 0.00 O ATOM 195 CB ASN A 203 7.666 -9.316 -3.271 1.00 0.00 C ATOM 196 CG ASN A 203 7.380 -8.267 -4.346 1.00 0.00 C ATOM 197 OD1 ASN A 203 6.463 -8.415 -5.129 1.00 0.00 O ATOM 198 ND2 ASN A 203 8.133 -7.203 -4.418 1.00 0.00 N ATOM 0 H ASN A 203 8.612 -9.145 -0.295 1.00 0.00 H new ATOM 0 HA ASN A 203 7.608 -7.738 -1.810 1.00 0.00 H new ATOM 0 HB2 ASN A 203 8.725 -9.573 -3.271 1.00 0.00 H new ATOM 0 HB3 ASN A 203 7.115 -10.232 -3.486 1.00 0.00 H new ATOM 0 HD21 ASN A 203 7.951 -6.497 -5.131 1.00 0.00 H new ATOM 0 HD22 ASN A 203 8.903 -7.078 -3.761 1.00 0.00 H new ATOM 239 N PHE A 207 2.236 -3.242 -5.130 1.00 0.00 N ATOM 240 CA PHE A 207 1.761 -1.885 -5.516 1.00 0.00 C ATOM 241 C PHE A 207 2.517 -0.818 -4.729 1.00 0.00 C ATOM 242 O PHE A 207 3.066 -1.073 -3.676 1.00 0.00 O ATOM 243 CB PHE A 207 0.275 -1.753 -5.197 1.00 0.00 C ATOM 244 CG PHE A 207 -0.549 -2.404 -6.275 1.00 0.00 C ATOM 245 CD1 PHE A 207 -0.545 -1.876 -7.570 1.00 0.00 C ATOM 246 CD2 PHE A 207 -1.325 -3.528 -5.978 1.00 0.00 C ATOM 247 CE1 PHE A 207 -1.319 -2.475 -8.570 1.00 0.00 C ATOM 248 CE2 PHE A 207 -2.100 -4.127 -6.976 1.00 0.00 C ATOM 249 CZ PHE A 207 -2.097 -3.601 -8.274 1.00 0.00 C ATOM 0 HA PHE A 207 1.934 -1.748 -6.583 1.00 0.00 H new ATOM 0 HB2 PHE A 207 0.060 -2.217 -4.235 1.00 0.00 H new ATOM 0 HB3 PHE A 207 0.007 -0.700 -5.110 1.00 0.00 H new ATOM 0 HD1 PHE A 207 0.055 -1.007 -7.798 1.00 0.00 H new ATOM 0 HD2 PHE A 207 -1.326 -3.934 -4.977 1.00 0.00 H new ATOM 0 HE1 PHE A 207 -1.316 -2.069 -9.571 1.00 0.00 H new ATOM 0 HE2 PHE A 207 -2.700 -4.995 -6.746 1.00 0.00 H new ATOM 0 HZ PHE A 207 -2.694 -4.063 -9.046 1.00 0.00 H new ATOM 259 N GLU A 208 2.527 0.384 -5.231 1.00 0.00 N ATOM 260 CA GLU A 208 3.217 1.489 -4.518 1.00 0.00 C ATOM 261 C GLU A 208 2.333 2.735 -4.583 1.00 0.00 C ATOM 262 O GLU A 208 1.771 3.049 -5.614 1.00 0.00 O ATOM 263 CB GLU A 208 4.563 1.772 -5.188 1.00 0.00 C ATOM 264 CG GLU A 208 5.457 0.535 -5.078 1.00 0.00 C ATOM 265 CD GLU A 208 5.732 0.230 -3.604 1.00 0.00 C ATOM 266 OE1 GLU A 208 6.125 -0.888 -3.314 1.00 0.00 O ATOM 267 OE2 GLU A 208 5.547 1.121 -2.790 1.00 0.00 O ATOM 0 H GLU A 208 2.083 0.648 -6.111 1.00 0.00 H new ATOM 0 HA GLU A 208 3.393 1.212 -3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 208 4.412 2.033 -6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 208 5.046 2.626 -4.713 1.00 0.00 H new ATOM 0 HG2 GLU A 208 4.973 -0.319 -5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 208 6.395 0.704 -5.606 1.00 0.00 H new ATOM 275 N ASP A 209 2.196 3.451 -3.501 1.00 0.00 N ATOM 276 CA ASP A 209 1.338 4.666 -3.535 1.00 0.00 C ATOM 277 C ASP A 209 2.070 5.769 -4.294 1.00 0.00 C ATOM 278 O ASP A 209 3.033 6.336 -3.817 1.00 0.00 O ATOM 279 CB ASP A 209 1.040 5.135 -2.110 1.00 0.00 C ATOM 280 CG ASP A 209 0.202 4.080 -1.387 1.00 0.00 C ATOM 281 OD1 ASP A 209 -0.302 3.192 -2.055 1.00 0.00 O ATOM 282 OD2 ASP A 209 0.076 4.178 -0.177 1.00 0.00 O ATOM 0 H ASP A 209 2.637 3.249 -2.604 1.00 0.00 H new ATOM 0 HA ASP A 209 0.397 4.434 -4.034 1.00 0.00 H new ATOM 0 HB2 ASP A 209 1.972 5.306 -1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 209 0.506 6.085 -2.133 1.00 0.00 H new ATOM 288 N LEU A 210 1.616 6.079 -5.474 1.00 0.00 N ATOM 289 CA LEU A 210 2.274 7.146 -6.272 1.00 0.00 C ATOM 290 C LEU A 210 2.179 8.473 -5.517 1.00 0.00 C ATOM 291 O LEU A 210 3.017 9.341 -5.658 1.00 0.00 O ATOM 292 CB LEU A 210 1.583 7.257 -7.633 1.00 0.00 C ATOM 293 CG LEU A 210 2.052 6.113 -8.536 1.00 0.00 C ATOM 294 CD1 LEU A 210 1.798 4.773 -7.843 1.00 0.00 C ATOM 295 CD2 LEU A 210 1.277 6.156 -9.854 1.00 0.00 C ATOM 0 H LEU A 210 0.813 5.637 -5.922 1.00 0.00 H new ATOM 0 HA LEU A 210 3.325 6.902 -6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 210 0.501 7.216 -7.508 1.00 0.00 H new ATOM 0 HB3 LEU A 210 1.815 8.217 -8.094 1.00 0.00 H new ATOM 0 HG LEU A 210 3.118 6.223 -8.733 1.00 0.00 H new ATOM 0 HD11 LEU A 210 2.133 3.961 -8.488 1.00 0.00 H new ATOM 0 HD12 LEU A 210 2.348 4.740 -6.902 1.00 0.00 H new ATOM 0 HD13 LEU A 210 0.732 4.663 -7.644 1.00 0.00 H new ATOM 0 HD21 LEU A 210 1.610 5.342 -10.498 1.00 0.00 H new ATOM 0 HD22 LEU A 210 0.211 6.047 -9.653 1.00 0.00 H new ATOM 0 HD23 LEU A 210 1.457 7.109 -10.351 1.00 0.00 H new ATOM 307 N LEU A 211 1.162 8.634 -4.712 1.00 0.00 N ATOM 308 CA LEU A 211 1.013 9.902 -3.940 1.00 0.00 C ATOM 309 C LEU A 211 1.246 9.626 -2.453 1.00 0.00 C ATOM 310 O LEU A 211 0.896 8.579 -1.945 1.00 0.00 O ATOM 311 CB LEU A 211 -0.397 10.463 -4.139 1.00 0.00 C ATOM 312 CG LEU A 211 -0.666 10.651 -5.632 1.00 0.00 C ATOM 313 CD1 LEU A 211 -2.048 11.275 -5.828 1.00 0.00 C ATOM 314 CD2 LEU A 211 0.399 11.574 -6.230 1.00 0.00 C ATOM 0 H LEU A 211 0.429 7.943 -4.556 1.00 0.00 H new ATOM 0 HA LEU A 211 1.745 10.628 -4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.134 9.785 -3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -0.498 11.415 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 211 -0.631 9.683 -6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.239 11.409 -6.893 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.807 10.619 -5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.084 12.243 -5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.208 11.708 -7.295 1.00 0.00 H new ATOM 0 HD22 LEU A 211 0.364 12.542 -5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.385 11.130 -6.092 1.00 0.00 H new ATOM 326 N SER A 212 1.834 10.555 -1.751 1.00 0.00 N ATOM 327 CA SER A 212 2.087 10.341 -0.298 1.00 0.00 C ATOM 328 C SER A 212 0.821 10.664 0.495 1.00 0.00 C ATOM 329 O SER A 212 0.774 10.509 1.700 1.00 0.00 O ATOM 330 CB SER A 212 3.224 11.257 0.162 1.00 0.00 C ATOM 331 OG SER A 212 2.750 12.596 0.226 1.00 0.00 O ATOM 0 H SER A 212 2.150 11.452 -2.120 1.00 0.00 H new ATOM 0 HA SER A 212 2.366 9.301 -0.128 1.00 0.00 H new ATOM 0 HB2 SER A 212 3.589 10.941 1.139 1.00 0.00 H new ATOM 0 HB3 SER A 212 4.064 11.189 -0.529 1.00 0.00 H new ATOM 0 HG SER A 212 3.475 13.186 0.522 1.00 0.00 H new ATOM 337 N ASN A 213 -0.209 11.107 -0.172 1.00 0.00 N ATOM 338 CA ASN A 213 -1.474 11.434 0.539 1.00 0.00 C ATOM 339 C ASN A 213 -2.545 10.417 0.143 1.00 0.00 C ATOM 340 O ASN A 213 -3.727 10.691 0.195 1.00 0.00 O ATOM 341 CB ASN A 213 -1.929 12.840 0.147 1.00 0.00 C ATOM 342 CG ASN A 213 -0.937 13.867 0.696 1.00 0.00 C ATOM 343 OD1 ASN A 213 -1.078 15.050 0.461 1.00 0.00 O ATOM 344 ND2 ASN A 213 0.064 13.460 1.428 1.00 0.00 N ATOM 0 H ASN A 213 -0.228 11.256 -1.181 1.00 0.00 H new ATOM 0 HA ASN A 213 -1.314 11.396 1.617 1.00 0.00 H new ATOM 0 HB2 ASN A 213 -1.993 12.924 -0.938 1.00 0.00 H new ATOM 0 HB3 ASN A 213 -2.926 13.035 0.541 1.00 0.00 H new ATOM 0 HD21 ASN A 213 0.729 14.136 1.804 1.00 0.00 H new ATOM 0 HD22 ASN A 213 0.181 12.466 1.625 1.00 0.00 H new ATOM 351 N CYS A 214 -2.134 9.248 -0.265 1.00 0.00 N ATOM 352 CA CYS A 214 -3.120 8.212 -0.679 1.00 0.00 C ATOM 353 C CYS A 214 -4.086 7.914 0.464 1.00 0.00 C ATOM 354 O CYS A 214 -5.279 7.803 0.259 1.00 0.00 O ATOM 355 CB CYS A 214 -2.375 6.940 -1.073 1.00 0.00 C ATOM 356 SG CYS A 214 -1.926 7.052 -2.817 1.00 0.00 S ATOM 0 H CYS A 214 -1.156 8.966 -0.329 1.00 0.00 H new ATOM 0 HA CYS A 214 -3.693 8.581 -1.530 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -1.482 6.819 -0.460 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -3.002 6.065 -0.899 1.00 0.00 H new ATOM 361 N GLU A 215 -3.599 7.797 1.666 1.00 0.00 N ATOM 362 CA GLU A 215 -4.523 7.523 2.797 1.00 0.00 C ATOM 363 C GLU A 215 -5.544 8.656 2.854 1.00 0.00 C ATOM 364 O GLU A 215 -6.711 8.448 3.122 1.00 0.00 O ATOM 365 CB GLU A 215 -3.734 7.465 4.106 1.00 0.00 C ATOM 366 CG GLU A 215 -4.659 7.024 5.241 1.00 0.00 C ATOM 367 CD GLU A 215 -3.895 7.065 6.566 1.00 0.00 C ATOM 368 OE1 GLU A 215 -4.479 6.703 7.575 1.00 0.00 O ATOM 369 OE2 GLU A 215 -2.740 7.455 6.548 1.00 0.00 O ATOM 0 H GLU A 215 -2.612 7.878 1.912 1.00 0.00 H new ATOM 0 HA GLU A 215 -5.027 6.567 2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -2.901 6.768 4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -3.308 8.443 4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -5.529 7.678 5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -5.028 6.016 5.053 1.00 0.00 H new ATOM 377 N SER A 216 -5.109 9.856 2.587 1.00 0.00 N ATOM 378 CA SER A 216 -6.041 11.014 2.605 1.00 0.00 C ATOM 379 C SER A 216 -7.074 10.851 1.488 1.00 0.00 C ATOM 380 O SER A 216 -8.247 11.115 1.667 1.00 0.00 O ATOM 381 CB SER A 216 -5.247 12.302 2.376 1.00 0.00 C ATOM 382 OG SER A 216 -6.091 13.422 2.611 1.00 0.00 O ATOM 0 H SER A 216 -4.142 10.084 2.356 1.00 0.00 H new ATOM 0 HA SER A 216 -6.549 11.061 3.568 1.00 0.00 H new ATOM 0 HB2 SER A 216 -4.385 12.335 3.043 1.00 0.00 H new ATOM 0 HB3 SER A 216 -4.862 12.329 1.356 1.00 0.00 H new ATOM 0 HG SER A 216 -5.585 14.249 2.467 1.00 0.00 H new ATOM 388 N LEU A 217 -6.644 10.420 0.332 1.00 0.00 N ATOM 389 CA LEU A 217 -7.594 10.244 -0.803 1.00 0.00 C ATOM 390 C LEU A 217 -8.591 9.128 -0.485 1.00 0.00 C ATOM 391 O LEU A 217 -9.752 9.211 -0.824 1.00 0.00 O ATOM 392 CB LEU A 217 -6.817 9.885 -2.073 1.00 0.00 C ATOM 393 CG LEU A 217 -5.828 11.004 -2.407 1.00 0.00 C ATOM 394 CD1 LEU A 217 -5.116 10.675 -3.720 1.00 0.00 C ATOM 395 CD2 LEU A 217 -6.584 12.326 -2.560 1.00 0.00 C ATOM 0 H LEU A 217 -5.674 10.182 0.125 1.00 0.00 H new ATOM 0 HA LEU A 217 -8.137 11.176 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.283 8.945 -1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -7.507 9.737 -2.903 1.00 0.00 H new ATOM 0 HG LEU A 217 -5.096 11.094 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -4.411 11.470 -3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -4.578 9.732 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.851 10.587 -4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -5.879 13.123 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -7.315 12.236 -3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -7.097 12.562 -1.628 1.00 0.00 H new ATOM 407 N LYS A 218 -8.155 8.083 0.164 1.00 0.00 N ATOM 408 CA LYS A 218 -9.098 6.977 0.489 1.00 0.00 C ATOM 409 C LYS A 218 -10.269 7.556 1.283 1.00 0.00 C ATOM 410 O LYS A 218 -11.417 7.240 1.041 1.00 0.00 O ATOM 411 CB LYS A 218 -8.374 5.921 1.333 1.00 0.00 C ATOM 412 CG LYS A 218 -8.912 4.522 1.004 1.00 0.00 C ATOM 413 CD LYS A 218 -10.207 4.271 1.780 1.00 0.00 C ATOM 414 CE LYS A 218 -9.903 4.177 3.277 1.00 0.00 C ATOM 415 NZ LYS A 218 -10.560 2.965 3.843 1.00 0.00 N ATOM 0 H LYS A 218 -7.195 7.948 0.481 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.463 6.512 -0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -7.302 5.962 1.139 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -8.514 6.133 2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -9.096 4.435 -0.067 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -8.170 3.767 1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -10.916 5.078 1.593 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -10.675 3.349 1.436 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -8.826 4.128 3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -10.262 5.070 3.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -10.353 2.901 4.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -11.588 3.030 3.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -10.197 2.117 3.362 1.00 0.00 H new ATOM 429 N THR A 219 -9.983 8.411 2.226 1.00 0.00 N ATOM 430 CA THR A 219 -11.071 9.028 3.036 1.00 0.00 C ATOM 431 C THR A 219 -11.865 10.020 2.177 1.00 0.00 C ATOM 432 O THR A 219 -13.068 10.131 2.296 1.00 0.00 O ATOM 433 CB THR A 219 -10.460 9.765 4.231 1.00 0.00 C ATOM 434 OG1 THR A 219 -9.672 8.861 4.994 1.00 0.00 O ATOM 435 CG2 THR A 219 -11.576 10.335 5.107 1.00 0.00 C ATOM 0 H THR A 219 -9.039 8.710 2.471 1.00 0.00 H new ATOM 0 HA THR A 219 -11.741 8.245 3.390 1.00 0.00 H new ATOM 0 HB THR A 219 -9.831 10.579 3.871 1.00 0.00 H new ATOM 0 HG1 THR A 219 -9.280 9.333 5.758 1.00 0.00 H new ATOM 0 HG21 THR A 219 -11.139 10.859 5.957 1.00 0.00 H new ATOM 0 HG22 THR A 219 -12.178 11.030 4.522 1.00 0.00 H new ATOM 0 HG23 THR A 219 -12.207 9.522 5.467 1.00 0.00 H new ATOM 443 N SER A 220 -11.200 10.751 1.322 1.00 0.00 N ATOM 444 CA SER A 220 -11.920 11.742 0.470 1.00 0.00 C ATOM 445 C SER A 220 -12.474 11.060 -0.782 1.00 0.00 C ATOM 446 O SER A 220 -13.422 11.527 -1.383 1.00 0.00 O ATOM 447 CB SER A 220 -10.955 12.853 0.057 1.00 0.00 C ATOM 448 OG SER A 220 -10.660 13.665 1.186 1.00 0.00 O ATOM 0 H SER A 220 -10.191 10.705 1.177 1.00 0.00 H new ATOM 0 HA SER A 220 -12.748 12.164 1.040 1.00 0.00 H new ATOM 0 HB2 SER A 220 -10.038 12.423 -0.345 1.00 0.00 H new ATOM 0 HB3 SER A 220 -11.397 13.458 -0.735 1.00 0.00 H new ATOM 0 HG SER A 220 -10.040 14.377 0.924 1.00 0.00 H new ATOM 454 N ALA A 221 -11.898 9.959 -1.182 1.00 0.00 N ATOM 455 CA ALA A 221 -12.402 9.254 -2.395 1.00 0.00 C ATOM 456 C ALA A 221 -12.877 7.854 -2.004 1.00 0.00 C ATOM 457 O ALA A 221 -14.045 7.632 -1.757 1.00 0.00 O ATOM 458 CB ALA A 221 -11.285 9.147 -3.437 1.00 0.00 C ATOM 0 H ALA A 221 -11.102 9.518 -0.722 1.00 0.00 H new ATOM 0 HA ALA A 221 -13.233 9.816 -2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 221 -11.660 8.631 -4.321 1.00 0.00 H new ATOM 0 HB2 ALA A 221 -10.950 10.146 -3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 221 -10.449 8.588 -3.018 1.00 0.00 H new ATOM 464 N GLY A 222 -11.982 6.906 -1.941 1.00 0.00 N ATOM 465 CA GLY A 222 -12.392 5.527 -1.558 1.00 0.00 C ATOM 466 C GLY A 222 -11.611 4.503 -2.382 1.00 0.00 C ATOM 467 O GLY A 222 -11.342 4.703 -3.550 1.00 0.00 O ATOM 0 H GLY A 222 -10.988 7.027 -2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -12.210 5.366 -0.495 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -13.462 5.398 -1.721 1.00 0.00 H new ATOM 471 N CYS A 223 -11.247 3.405 -1.778 1.00 0.00 N ATOM 472 CA CYS A 223 -10.487 2.360 -2.518 1.00 0.00 C ATOM 473 C CYS A 223 -11.313 1.865 -3.703 1.00 0.00 C ATOM 474 O CYS A 223 -10.779 1.460 -4.716 1.00 0.00 O ATOM 475 CB CYS A 223 -10.192 1.191 -1.578 1.00 0.00 C ATOM 476 SG CYS A 223 -8.937 1.695 -0.379 1.00 0.00 S ATOM 0 H CYS A 223 -11.444 3.187 -0.801 1.00 0.00 H new ATOM 0 HA CYS A 223 -9.551 2.782 -2.884 1.00 0.00 H new ATOM 0 HB2 CYS A 223 -11.102 0.885 -1.063 1.00 0.00 H new ATOM 0 HB3 CYS A 223 -9.843 0.330 -2.148 1.00 0.00 H new ATOM 481 N LYS A 224 -12.609 1.899 -3.589 1.00 0.00 N ATOM 482 CA LYS A 224 -13.464 1.434 -4.713 1.00 0.00 C ATOM 483 C LYS A 224 -13.461 2.498 -5.810 1.00 0.00 C ATOM 484 O LYS A 224 -14.103 2.355 -6.832 1.00 0.00 O ATOM 485 CB LYS A 224 -14.893 1.205 -4.212 1.00 0.00 C ATOM 486 CG LYS A 224 -15.544 2.549 -3.872 1.00 0.00 C ATOM 487 CD LYS A 224 -16.906 2.303 -3.221 1.00 0.00 C ATOM 488 CE LYS A 224 -17.706 3.608 -3.197 1.00 0.00 C ATOM 489 NZ LYS A 224 -18.833 3.514 -4.167 1.00 0.00 N ATOM 0 H LYS A 224 -13.113 2.229 -2.766 1.00 0.00 H new ATOM 0 HA LYS A 224 -13.076 0.497 -5.111 1.00 0.00 H new ATOM 0 HB2 LYS A 224 -15.477 0.690 -4.974 1.00 0.00 H new ATOM 0 HB3 LYS A 224 -14.881 0.563 -3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 224 -14.903 3.116 -3.197 1.00 0.00 H new ATOM 0 HG3 LYS A 224 -15.663 3.147 -4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -17.453 1.540 -3.775 1.00 0.00 H new ATOM 0 HD3 LYS A 224 -16.773 1.927 -2.206 1.00 0.00 H new ATOM 0 HE2 LYS A 224 -18.089 3.794 -2.194 1.00 0.00 H new ATOM 0 HE3 LYS A 224 -17.060 4.448 -3.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 -19.378 4.400 -4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 -18.456 3.355 -5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 -19.453 2.722 -3.903 1.00 0.00 H new ATOM 503 N HIS A 225 -12.735 3.563 -5.607 1.00 0.00 N ATOM 504 CA HIS A 225 -12.682 4.636 -6.637 1.00 0.00 C ATOM 505 C HIS A 225 -11.566 4.316 -7.635 1.00 0.00 C ATOM 506 O HIS A 225 -10.476 3.933 -7.261 1.00 0.00 O ATOM 507 CB HIS A 225 -12.398 5.980 -5.964 1.00 0.00 C ATOM 508 CG HIS A 225 -12.573 7.088 -6.966 1.00 0.00 C ATOM 509 ND1 HIS A 225 -12.095 6.992 -8.265 1.00 0.00 N ATOM 510 CD2 HIS A 225 -13.174 8.320 -6.877 1.00 0.00 C ATOM 511 CE1 HIS A 225 -12.413 8.135 -8.900 1.00 0.00 C ATOM 512 NE2 HIS A 225 -13.068 8.976 -8.099 1.00 0.00 N ATOM 0 H HIS A 225 -12.176 3.736 -4.771 1.00 0.00 H new ATOM 0 HA HIS A 225 -13.637 4.692 -7.159 1.00 0.00 H new ATOM 0 HB2 HIS A 225 -13.074 6.127 -5.121 1.00 0.00 H new ATOM 0 HB3 HIS A 225 -11.384 5.992 -5.565 1.00 0.00 H new ATOM 0 HD2 HIS A 225 -13.654 8.718 -5.995 1.00 0.00 H new ATOM 0 HE1 HIS A 225 -12.168 8.345 -9.931 1.00 0.00 H new ATOM 0 HE2 HIS A 225 -13.418 9.905 -8.333 1.00 0.00 H new ATOM 521 N GLU A 226 -11.837 4.461 -8.900 1.00 0.00 N ATOM 522 CA GLU A 226 -10.805 4.158 -9.932 1.00 0.00 C ATOM 523 C GLU A 226 -9.541 4.991 -9.683 1.00 0.00 C ATOM 524 O GLU A 226 -8.437 4.542 -9.920 1.00 0.00 O ATOM 525 CB GLU A 226 -11.370 4.499 -11.313 1.00 0.00 C ATOM 526 CG GLU A 226 -10.384 4.061 -12.396 1.00 0.00 C ATOM 527 CD GLU A 226 -10.900 4.507 -13.765 1.00 0.00 C ATOM 528 OE1 GLU A 226 -10.257 4.188 -14.751 1.00 0.00 O ATOM 529 OE2 GLU A 226 -11.929 5.161 -13.803 1.00 0.00 O ATOM 0 H GLU A 226 -12.734 4.778 -9.267 1.00 0.00 H new ATOM 0 HA GLU A 226 -10.546 3.101 -9.880 1.00 0.00 H new ATOM 0 HB2 GLU A 226 -12.329 4.001 -11.457 1.00 0.00 H new ATOM 0 HB3 GLU A 226 -11.554 5.571 -11.387 1.00 0.00 H new ATOM 0 HG2 GLU A 226 -9.402 4.495 -12.206 1.00 0.00 H new ATOM 0 HG3 GLU A 226 -10.263 2.978 -12.376 1.00 0.00 H new ATOM 537 N LEU A 227 -9.692 6.204 -9.224 1.00 0.00 N ATOM 538 CA LEU A 227 -8.496 7.064 -8.982 1.00 0.00 C ATOM 539 C LEU A 227 -7.475 6.331 -8.108 1.00 0.00 C ATOM 540 O LEU A 227 -6.328 6.186 -8.475 1.00 0.00 O ATOM 541 CB LEU A 227 -8.925 8.353 -8.279 1.00 0.00 C ATOM 542 CG LEU A 227 -8.657 9.549 -9.195 1.00 0.00 C ATOM 543 CD1 LEU A 227 -9.686 9.562 -10.327 1.00 0.00 C ATOM 544 CD2 LEU A 227 -8.770 10.843 -8.389 1.00 0.00 C ATOM 0 H LEU A 227 -10.590 6.637 -9.006 1.00 0.00 H new ATOM 0 HA LEU A 227 -8.037 7.299 -9.943 1.00 0.00 H new ATOM 0 HB2 LEU A 227 -9.984 8.306 -8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 227 -8.378 8.469 -7.343 1.00 0.00 H new ATOM 0 HG LEU A 227 -7.654 9.469 -9.615 1.00 0.00 H new ATOM 0 HD11 LEU A 227 -9.497 10.413 -10.981 1.00 0.00 H new ATOM 0 HD12 LEU A 227 -9.607 8.639 -10.901 1.00 0.00 H new ATOM 0 HD13 LEU A 227 -10.688 9.643 -9.907 1.00 0.00 H new ATOM 0 HD21 LEU A 227 -8.579 11.696 -9.041 1.00 0.00 H new ATOM 0 HD22 LEU A 227 -9.773 10.924 -7.970 1.00 0.00 H new ATOM 0 HD23 LEU A 227 -8.039 10.833 -7.581 1.00 0.00 H new ATOM 556 N LEU A 228 -7.877 5.865 -6.958 1.00 0.00 N ATOM 557 CA LEU A 228 -6.918 5.148 -6.074 1.00 0.00 C ATOM 558 C LEU A 228 -6.428 3.890 -6.779 1.00 0.00 C ATOM 559 O LEU A 228 -5.371 3.367 -6.487 1.00 0.00 O ATOM 560 CB LEU A 228 -7.608 4.761 -4.760 1.00 0.00 C ATOM 561 CG LEU A 228 -7.679 5.978 -3.829 1.00 0.00 C ATOM 562 CD1 LEU A 228 -8.875 6.851 -4.207 1.00 0.00 C ATOM 563 CD2 LEU A 228 -7.834 5.505 -2.381 1.00 0.00 C ATOM 0 H LEU A 228 -8.826 5.950 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 228 -6.073 5.801 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 228 -8.612 4.388 -4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 228 -7.060 3.953 -4.275 1.00 0.00 H new ATOM 0 HG LEU A 228 -6.762 6.559 -3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 228 -8.920 7.714 -3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 228 -8.766 7.192 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 228 -9.793 6.271 -4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 228 -7.884 6.370 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 228 -8.749 4.921 -2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 228 -6.979 4.887 -2.106 1.00 0.00 H new ATOM 575 N LYS A 229 -7.205 3.388 -7.689 1.00 0.00 N ATOM 576 CA LYS A 229 -6.818 2.148 -8.403 1.00 0.00 C ATOM 577 C LYS A 229 -5.650 2.410 -9.361 1.00 0.00 C ATOM 578 O LYS A 229 -5.191 1.506 -10.029 1.00 0.00 O ATOM 579 CB LYS A 229 -8.021 1.626 -9.189 1.00 0.00 C ATOM 580 CG LYS A 229 -8.068 0.101 -9.093 1.00 0.00 C ATOM 581 CD LYS A 229 -8.353 -0.307 -7.644 1.00 0.00 C ATOM 582 CE LYS A 229 -9.430 -1.391 -7.621 1.00 0.00 C ATOM 583 NZ LYS A 229 -8.949 -2.584 -8.372 1.00 0.00 N ATOM 0 H LYS A 229 -8.100 3.787 -7.971 1.00 0.00 H new ATOM 0 HA LYS A 229 -6.499 1.406 -7.671 1.00 0.00 H new ATOM 0 HB2 LYS A 229 -8.942 2.055 -8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 229 -7.949 1.934 -10.232 1.00 0.00 H new ATOM 0 HG2 LYS A 229 -8.841 -0.293 -9.752 1.00 0.00 H new ATOM 0 HG3 LYS A 229 -7.121 -0.325 -9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 229 -7.442 -0.675 -7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 229 -8.681 0.559 -7.069 1.00 0.00 H new ATOM 0 HE2 LYS A 229 -9.663 -1.665 -6.592 1.00 0.00 H new ATOM 0 HE3 LYS A 229 -10.350 -1.014 -8.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 -9.510 -3.416 -8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 -9.053 -2.417 -9.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 -7.947 -2.754 -8.149 1.00 0.00 H new ATOM 597 N THR A 230 -5.172 3.626 -9.459 1.00 0.00 N ATOM 598 CA THR A 230 -4.044 3.882 -10.405 1.00 0.00 C ATOM 599 C THR A 230 -2.838 4.518 -9.689 1.00 0.00 C ATOM 600 O THR A 230 -1.707 4.279 -10.063 1.00 0.00 O ATOM 601 CB THR A 230 -4.527 4.776 -11.553 1.00 0.00 C ATOM 602 OG1 THR A 230 -3.727 4.539 -12.702 1.00 0.00 O ATOM 603 CG2 THR A 230 -4.431 6.247 -11.163 1.00 0.00 C ATOM 0 H THR A 230 -5.506 4.436 -8.937 1.00 0.00 H new ATOM 0 HA THR A 230 -3.712 2.926 -10.810 1.00 0.00 H new ATOM 0 HB THR A 230 -5.569 4.538 -11.769 1.00 0.00 H new ATOM 0 HG1 THR A 230 -4.035 5.108 -13.438 1.00 0.00 H new ATOM 0 HG21 THR A 230 -4.778 6.866 -11.990 1.00 0.00 H new ATOM 0 HG22 THR A 230 -5.051 6.432 -10.286 1.00 0.00 H new ATOM 0 HG23 THR A 230 -3.395 6.496 -10.934 1.00 0.00 H new ATOM 611 N LYS A 231 -3.046 5.304 -8.660 1.00 0.00 N ATOM 612 CA LYS A 231 -1.873 5.907 -7.947 1.00 0.00 C ATOM 613 C LYS A 231 -1.858 5.429 -6.492 1.00 0.00 C ATOM 614 O LYS A 231 -0.834 5.436 -5.839 1.00 0.00 O ATOM 615 CB LYS A 231 -1.930 7.441 -7.979 1.00 0.00 C ATOM 616 CG LYS A 231 -3.356 7.923 -8.219 1.00 0.00 C ATOM 617 CD LYS A 231 -4.235 7.493 -7.053 1.00 0.00 C ATOM 618 CE LYS A 231 -5.477 8.383 -6.996 1.00 0.00 C ATOM 619 NZ LYS A 231 -5.083 9.756 -6.571 1.00 0.00 N ATOM 0 H LYS A 231 -3.962 5.552 -8.286 1.00 0.00 H new ATOM 0 HA LYS A 231 -0.964 5.587 -8.456 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -1.559 7.843 -7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -1.276 7.818 -8.766 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -3.373 9.008 -8.321 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -3.740 7.509 -9.151 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -4.527 6.449 -7.170 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -3.679 7.566 -6.118 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -5.959 8.417 -7.973 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -6.203 7.968 -6.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -5.923 10.271 -6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -4.387 9.695 -5.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -4.663 10.262 -7.377 1.00 0.00 H new ATOM 633 N CYS A 232 -2.985 5.011 -5.980 1.00 0.00 N ATOM 634 CA CYS A 232 -3.032 4.528 -4.567 1.00 0.00 C ATOM 635 C CYS A 232 -3.330 3.033 -4.554 1.00 0.00 C ATOM 636 O CYS A 232 -3.858 2.500 -3.599 1.00 0.00 O ATOM 637 CB CYS A 232 -4.127 5.270 -3.808 1.00 0.00 C ATOM 638 SG CYS A 232 -3.715 7.027 -3.750 1.00 0.00 S ATOM 0 H CYS A 232 -3.875 4.983 -6.478 1.00 0.00 H new ATOM 0 HA CYS A 232 -2.071 4.714 -4.088 1.00 0.00 H new ATOM 0 HB2 CYS A 232 -5.090 5.125 -4.299 1.00 0.00 H new ATOM 0 HB3 CYS A 232 -4.221 4.872 -2.798 1.00 0.00 H new ATOM 643 N GLN A 233 -2.997 2.355 -5.611 1.00 0.00 N ATOM 644 CA GLN A 233 -3.259 0.895 -5.676 1.00 0.00 C ATOM 645 C GLN A 233 -2.659 0.208 -4.450 1.00 0.00 C ATOM 646 O GLN A 233 -3.234 -0.708 -3.899 1.00 0.00 O ATOM 647 CB GLN A 233 -2.606 0.341 -6.940 1.00 0.00 C ATOM 648 CG GLN A 233 -3.297 0.942 -8.163 1.00 0.00 C ATOM 649 CD GLN A 233 -2.515 0.582 -9.425 1.00 0.00 C ATOM 650 OE1 GLN A 233 -1.367 0.190 -9.352 1.00 0.00 O ATOM 651 NE2 GLN A 233 -3.090 0.704 -10.589 1.00 0.00 N ATOM 0 H GLN A 233 -2.552 2.752 -6.438 1.00 0.00 H new ATOM 0 HA GLN A 233 -4.333 0.711 -5.696 1.00 0.00 H new ATOM 0 HB2 GLN A 233 -1.543 0.583 -6.951 1.00 0.00 H new ATOM 0 HB3 GLN A 233 -2.686 -0.746 -6.959 1.00 0.00 H new ATOM 0 HG2 GLN A 233 -4.318 0.567 -8.237 1.00 0.00 H new ATOM 0 HG3 GLN A 233 -3.362 2.025 -8.060 1.00 0.00 H new ATOM 0 HE21 GLN A 233 -4.054 1.033 -10.650 1.00 0.00 H new ATOM 0 HE22 GLN A 233 -2.576 0.470 -11.439 1.00 0.00 H new ATOM 660 N ALA A 234 -1.507 0.636 -4.016 1.00 0.00 N ATOM 661 CA ALA A 234 -0.882 -0.009 -2.830 1.00 0.00 C ATOM 662 C ALA A 234 -1.622 0.398 -1.556 1.00 0.00 C ATOM 663 O ALA A 234 -1.799 -0.390 -0.651 1.00 0.00 O ATOM 664 CB ALA A 234 0.583 0.415 -2.726 1.00 0.00 C ATOM 0 H ALA A 234 -0.974 1.401 -4.429 1.00 0.00 H new ATOM 0 HA ALA A 234 -0.942 -1.091 -2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 234 1.038 -0.059 -1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 234 1.115 0.108 -3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 234 0.642 1.498 -2.621 1.00 0.00 H new ATOM 670 N THR A 235 -2.059 1.621 -1.473 1.00 0.00 N ATOM 671 CA THR A 235 -2.782 2.053 -0.250 1.00 0.00 C ATOM 672 C THR A 235 -4.035 1.196 -0.084 1.00 0.00 C ATOM 673 O THR A 235 -4.542 1.022 1.007 1.00 0.00 O ATOM 674 CB THR A 235 -3.164 3.530 -0.379 1.00 0.00 C ATOM 675 OG1 THR A 235 -2.209 4.325 0.311 1.00 0.00 O ATOM 676 CG2 THR A 235 -4.559 3.768 0.210 1.00 0.00 C ATOM 0 H THR A 235 -1.948 2.335 -2.193 1.00 0.00 H new ATOM 0 HA THR A 235 -2.144 1.930 0.625 1.00 0.00 H new ATOM 0 HB THR A 235 -3.177 3.806 -1.433 1.00 0.00 H new ATOM 0 HG1 THR A 235 -1.356 3.845 0.358 1.00 0.00 H new ATOM 0 HG21 THR A 235 -4.820 4.822 0.113 1.00 0.00 H new ATOM 0 HG22 THR A 235 -5.289 3.162 -0.327 1.00 0.00 H new ATOM 0 HG23 THR A 235 -4.561 3.489 1.264 1.00 0.00 H new ATOM 684 N CYS A 236 -4.542 0.662 -1.162 1.00 0.00 N ATOM 685 CA CYS A 236 -5.766 -0.179 -1.069 1.00 0.00 C ATOM 686 C CYS A 236 -5.444 -1.639 -1.413 1.00 0.00 C ATOM 687 O CYS A 236 -5.675 -2.534 -0.625 1.00 0.00 O ATOM 688 CB CYS A 236 -6.807 0.360 -2.045 1.00 0.00 C ATOM 689 SG CYS A 236 -7.304 2.018 -1.522 1.00 0.00 S ATOM 0 H CYS A 236 -4.161 0.773 -2.102 1.00 0.00 H new ATOM 0 HA CYS A 236 -6.151 -0.143 -0.050 1.00 0.00 H new ATOM 0 HB2 CYS A 236 -6.396 0.391 -3.054 1.00 0.00 H new ATOM 0 HB3 CYS A 236 -7.673 -0.301 -2.074 1.00 0.00 H new ATOM 694 N LEU A 237 -4.928 -1.891 -2.588 1.00 0.00 N ATOM 695 CA LEU A 237 -4.614 -3.299 -2.976 1.00 0.00 C ATOM 696 C LEU A 237 -3.496 -3.862 -2.092 1.00 0.00 C ATOM 697 O LEU A 237 -3.473 -5.039 -1.792 1.00 0.00 O ATOM 698 CB LEU A 237 -4.188 -3.351 -4.446 1.00 0.00 C ATOM 699 CG LEU A 237 -5.298 -2.771 -5.330 1.00 0.00 C ATOM 700 CD1 LEU A 237 -4.951 -3.000 -6.802 1.00 0.00 C ATOM 701 CD2 LEU A 237 -6.626 -3.464 -5.015 1.00 0.00 C ATOM 0 H LEU A 237 -4.711 -1.186 -3.293 1.00 0.00 H new ATOM 0 HA LEU A 237 -5.509 -3.906 -2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 237 -3.266 -2.787 -4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 237 -3.979 -4.380 -4.737 1.00 0.00 H new ATOM 0 HG LEU A 237 -5.389 -1.703 -5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 237 -5.740 -2.588 -7.430 1.00 0.00 H new ATOM 0 HD12 LEU A 237 -4.007 -2.507 -7.034 1.00 0.00 H new ATOM 0 HD13 LEU A 237 -4.858 -4.069 -6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 237 -7.412 -3.048 -5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 237 -6.533 -4.533 -5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 237 -6.880 -3.305 -3.967 1.00 0.00 H new