USER MOD reduce.3.24.130724 H: found=0, std=0, add=294, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 289 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 231 TYR OH : rot -97:sc= 1.04 USER MOD Set 1.2: A 235 ASN :FLIP amide:sc= -1.1 F(o=-3.9!,f=-0.061) USER MOD Set 2.1: A 220 THR OG1 : rot 157:sc= -0.096 USER MOD Set 2.2: A 222 HIS : no HD1:sc= -1.34 K(o=-1.4,f=-5.7!) USER MOD Set 3.1: A 204 CYS SG : rot 158:sc= -2.23! USER MOD Set 3.2: A 207 CYS SG : rot -57:sc= -3.45! USER MOD Set 3.3: A 225 CYS SG : rot -140:sc= -0.143 USER MOD Set 3.4: A 228 CYS SG : rot 91:sc= 0.0716 USER MOD Single : A 206 ASN : amide:sc= -5.73! C(o=-5.7!,f=-7.2!) USER MOD Single : A 210 THR OG1 : rot -66:sc= 0.103 USER MOD Single : A 212 THR OG1 : rot -150:sc= -1.97! USER MOD Single : A 223 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 ASN : amide:sc= -0.326 K(o=-0.33,f=-2.3!) USER MOD Single : A 232 HIS :FLIP no HD1:sc= -0.463 F(o=-1.4,f=-0.46) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 237 GLN : amide:sc=-0.00105 K(o=-0.001,f=-1.8!) USER MOD Single : A 238 ASN : amide:sc= -0.849 K(o=-0.85,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 36 N ALA A 201 -2.674 -14.118 -1.767 1.00 1.00 N ATOM 37 CA ALA A 201 -2.558 -12.712 -1.281 1.00 1.00 C ATOM 38 C ALA A 201 -2.197 -11.775 -2.437 1.00 1.00 C ATOM 39 O ALA A 201 -2.263 -12.145 -3.594 1.00 1.00 O ATOM 40 CB ALA A 201 -1.432 -12.741 -0.247 1.00 1.00 C ATOM 0 HA ALA A 201 -3.494 -12.347 -0.858 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -1.285 -11.740 0.159 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -1.697 -13.424 0.560 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -0.511 -13.079 -0.722 1.00 1.00 H new ATOM 46 N ARG A 202 -1.811 -10.567 -2.132 1.00 1.00 N ATOM 47 CA ARG A 202 -1.444 -9.603 -3.210 1.00 1.00 C ATOM 48 C ARG A 202 -0.022 -9.079 -2.987 1.00 1.00 C ATOM 49 O ARG A 202 0.654 -9.469 -2.056 1.00 1.00 O ATOM 50 CB ARG A 202 -2.455 -8.464 -3.084 1.00 1.00 C ATOM 51 CG ARG A 202 -3.353 -8.437 -4.322 1.00 1.00 C ATOM 52 CD ARG A 202 -4.745 -8.953 -3.953 1.00 1.00 C ATOM 53 NE ARG A 202 -4.758 -10.373 -4.399 1.00 1.00 N ATOM 54 CZ ARG A 202 -5.865 -10.913 -4.827 1.00 1.00 C ATOM 55 NH1 ARG A 202 -6.409 -10.492 -5.936 1.00 1.00 N ATOM 56 NH2 ARG A 202 -6.429 -11.871 -4.147 1.00 1.00 N ATOM 0 H ARG A 202 -1.733 -10.204 -1.182 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.466 -10.062 -4.198 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -3.059 -8.598 -2.187 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -1.935 -7.512 -2.979 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -3.421 -7.422 -4.713 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -2.922 -9.054 -5.111 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -4.924 -8.874 -2.881 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -5.525 -8.376 -4.450 1.00 1.00 H new ATOM 0 HE ARG A 202 -3.900 -10.924 -4.370 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -5.968 -9.741 -6.467 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -7.275 -10.914 -6.272 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -6.005 -12.199 -3.279 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -7.295 -12.293 -4.482 1.00 1.00 H new ATOM 70 N GLU A 203 0.433 -8.196 -3.831 1.00 1.00 N ATOM 71 CA GLU A 203 1.807 -7.644 -3.665 1.00 1.00 C ATOM 72 C GLU A 203 1.743 -6.128 -3.474 1.00 1.00 C ATOM 73 O GLU A 203 1.435 -5.390 -4.389 1.00 1.00 O ATOM 74 CB GLU A 203 2.538 -7.993 -4.962 1.00 1.00 C ATOM 75 CG GLU A 203 3.670 -8.977 -4.659 1.00 1.00 C ATOM 76 CD GLU A 203 4.425 -9.300 -5.949 1.00 1.00 C ATOM 77 OE1 GLU A 203 4.213 -8.602 -6.927 1.00 1.00 O ATOM 78 OE2 GLU A 203 5.203 -10.239 -5.937 1.00 1.00 O ATOM 0 H GLU A 203 -0.087 -7.832 -4.629 1.00 1.00 H new ATOM 0 HA GLU A 203 2.315 -8.054 -2.792 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.842 -8.431 -5.678 1.00 1.00 H new ATOM 0 HB3 GLU A 203 2.940 -7.089 -5.420 1.00 1.00 H new ATOM 0 HG2 GLU A 203 4.351 -8.549 -3.924 1.00 1.00 H new ATOM 0 HG3 GLU A 203 3.265 -9.891 -4.224 1.00 1.00 H new ATOM 85 N CYS A 204 2.031 -5.656 -2.293 1.00 1.00 N ATOM 86 CA CYS A 204 1.987 -4.191 -2.046 1.00 1.00 C ATOM 87 C CYS A 204 2.734 -3.447 -3.152 1.00 1.00 C ATOM 88 O CYS A 204 3.939 -3.532 -3.268 1.00 1.00 O ATOM 89 CB CYS A 204 2.689 -4.006 -0.704 1.00 1.00 C ATOM 90 SG CYS A 204 2.623 -2.268 -0.214 1.00 1.00 S ATOM 0 H CYS A 204 2.295 -6.224 -1.488 1.00 1.00 H new ATOM 0 HA CYS A 204 0.970 -3.799 -2.035 1.00 1.00 H new ATOM 0 HB2 CYS A 204 2.212 -4.626 0.055 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.726 -4.334 -0.777 1.00 1.00 H new ATOM 0 HG CYS A 204 2.779 -2.174 1.073 1.00 1.00 H new ATOM 95 N VAL A 205 2.024 -2.715 -3.965 1.00 1.00 N ATOM 96 CA VAL A 205 2.687 -1.960 -5.063 1.00 1.00 C ATOM 97 C VAL A 205 3.863 -1.144 -4.517 1.00 1.00 C ATOM 98 O VAL A 205 4.734 -0.725 -5.254 1.00 1.00 O ATOM 99 CB VAL A 205 1.601 -1.033 -5.608 1.00 1.00 C ATOM 100 CG1 VAL A 205 0.510 -1.865 -6.286 1.00 1.00 C ATOM 101 CG2 VAL A 205 0.988 -0.234 -4.455 1.00 1.00 C ATOM 0 H VAL A 205 1.011 -2.607 -3.916 1.00 1.00 H new ATOM 0 HA VAL A 205 3.092 -2.618 -5.832 1.00 1.00 H new ATOM 0 HB VAL A 205 2.040 -0.349 -6.334 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -0.264 -1.203 -6.674 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.945 -2.436 -7.107 1.00 1.00 H new ATOM 0 HG13 VAL A 205 0.071 -2.550 -5.561 1.00 1.00 H new ATOM 0 HG21 VAL A 205 0.213 0.428 -4.842 1.00 1.00 H new ATOM 0 HG22 VAL A 205 0.550 -0.920 -3.729 1.00 1.00 H new ATOM 0 HG23 VAL A 205 1.763 0.360 -3.971 1.00 1.00 H new ATOM 111 N ASN A 206 3.891 -0.901 -3.234 1.00 1.00 N ATOM 112 CA ASN A 206 5.003 -0.097 -2.653 1.00 1.00 C ATOM 113 C ASN A 206 6.157 -0.989 -2.178 1.00 1.00 C ATOM 114 O ASN A 206 7.285 -0.822 -2.599 1.00 1.00 O ATOM 115 CB ASN A 206 4.380 0.641 -1.470 1.00 1.00 C ATOM 116 CG ASN A 206 3.832 1.990 -1.940 1.00 1.00 C ATOM 117 OD1 ASN A 206 3.701 2.911 -1.161 1.00 1.00 O ATOM 118 ND2 ASN A 206 3.504 2.144 -3.193 1.00 1.00 N ATOM 0 H ASN A 206 3.193 -1.224 -2.565 1.00 1.00 H new ATOM 0 HA ASN A 206 5.430 0.581 -3.391 1.00 1.00 H new ATOM 0 HB2 ASN A 206 3.579 0.043 -1.036 1.00 1.00 H new ATOM 0 HB3 ASN A 206 5.125 0.792 -0.689 1.00 1.00 H new ATOM 0 HD21 ASN A 206 3.137 3.039 -3.518 1.00 1.00 H new ATOM 0 HD22 ASN A 206 3.614 1.370 -3.848 1.00 1.00 H new ATOM 125 N CYS A 207 5.905 -1.912 -1.286 1.00 1.00 N ATOM 126 CA CYS A 207 7.014 -2.762 -0.786 1.00 1.00 C ATOM 127 C CYS A 207 6.774 -4.254 -1.090 1.00 1.00 C ATOM 128 O CYS A 207 7.595 -5.093 -0.780 1.00 1.00 O ATOM 129 CB CYS A 207 7.048 -2.469 0.716 1.00 1.00 C ATOM 130 SG CYS A 207 5.757 -3.391 1.581 1.00 1.00 S ATOM 0 H CYS A 207 4.987 -2.109 -0.888 1.00 1.00 H new ATOM 0 HA CYS A 207 7.966 -2.542 -1.269 1.00 1.00 H new ATOM 0 HB2 CYS A 207 8.024 -2.736 1.121 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.913 -1.401 0.886 1.00 1.00 H new ATOM 0 HG CYS A 207 4.599 -3.102 1.066 1.00 1.00 H new ATOM 135 N GLY A 208 5.676 -4.587 -1.721 1.00 1.00 N ATOM 136 CA GLY A 208 5.415 -6.022 -2.073 1.00 1.00 C ATOM 137 C GLY A 208 4.962 -6.811 -0.841 1.00 1.00 C ATOM 138 O GLY A 208 4.821 -8.016 -0.880 1.00 1.00 O ATOM 0 H GLY A 208 4.949 -3.931 -2.008 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.650 -6.078 -2.847 1.00 1.00 H new ATOM 0 HA3 GLY A 208 6.319 -6.470 -2.485 1.00 1.00 H new ATOM 142 N ALA A 209 4.735 -6.140 0.246 1.00 1.00 N ATOM 143 CA ALA A 209 4.290 -6.837 1.487 1.00 1.00 C ATOM 144 C ALA A 209 3.102 -7.752 1.184 1.00 1.00 C ATOM 145 O ALA A 209 2.013 -7.295 0.903 1.00 1.00 O ATOM 146 CB ALA A 209 3.874 -5.713 2.431 1.00 1.00 C ATOM 0 H ALA A 209 4.838 -5.129 0.334 1.00 1.00 H new ATOM 0 HA ALA A 209 5.070 -7.467 1.915 1.00 1.00 H new ATOM 0 HB1 ALA A 209 3.531 -6.138 3.374 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.726 -5.059 2.616 1.00 1.00 H new ATOM 0 HB3 ALA A 209 3.067 -5.137 1.978 1.00 1.00 H new ATOM 152 N THR A 210 3.300 -9.041 1.241 1.00 1.00 N ATOM 153 CA THR A 210 2.178 -9.981 0.957 1.00 1.00 C ATOM 154 C THR A 210 1.651 -10.593 2.258 1.00 1.00 C ATOM 155 O THR A 210 0.946 -11.583 2.248 1.00 1.00 O ATOM 156 CB THR A 210 2.787 -11.064 0.069 1.00 1.00 C ATOM 157 OG1 THR A 210 3.432 -10.458 -1.041 1.00 1.00 O ATOM 158 CG2 THR A 210 1.681 -11.995 -0.426 1.00 1.00 C ATOM 0 H THR A 210 4.189 -9.484 1.472 1.00 1.00 H new ATOM 0 HA THR A 210 1.336 -9.482 0.478 1.00 1.00 H new ATOM 0 HB THR A 210 3.516 -11.638 0.641 1.00 1.00 H new ATOM 0 HG1 THR A 210 2.764 -10.021 -1.609 1.00 1.00 H new ATOM 0 HG21 THR A 210 2.114 -12.769 -1.060 1.00 1.00 H new ATOM 0 HG22 THR A 210 1.187 -12.459 0.428 1.00 1.00 H new ATOM 0 HG23 THR A 210 0.952 -11.422 -0.999 1.00 1.00 H new ATOM 166 N ALA A 211 1.989 -10.016 3.376 1.00 1.00 N ATOM 167 CA ALA A 211 1.509 -10.570 4.674 1.00 1.00 C ATOM 168 C ALA A 211 0.619 -9.552 5.396 1.00 1.00 C ATOM 169 O ALA A 211 0.216 -9.757 6.523 1.00 1.00 O ATOM 170 CB ALA A 211 2.778 -10.843 5.483 1.00 1.00 C ATOM 0 H ALA A 211 2.576 -9.185 3.449 1.00 1.00 H new ATOM 0 HA ALA A 211 0.909 -11.470 4.538 1.00 1.00 H new ATOM 0 HB1 ALA A 211 2.508 -11.254 6.456 1.00 1.00 H new ATOM 0 HB2 ALA A 211 3.404 -11.557 4.948 1.00 1.00 H new ATOM 0 HB3 ALA A 211 3.328 -9.912 5.622 1.00 1.00 H new ATOM 176 N THR A 212 0.311 -8.456 4.757 1.00 1.00 N ATOM 177 CA THR A 212 -0.552 -7.430 5.413 1.00 1.00 C ATOM 178 C THR A 212 -1.830 -8.081 5.954 1.00 1.00 C ATOM 179 O THR A 212 -2.284 -9.083 5.438 1.00 1.00 O ATOM 180 CB THR A 212 -0.887 -6.424 4.309 1.00 1.00 C ATOM 181 OG1 THR A 212 -1.401 -5.236 4.896 1.00 1.00 O ATOM 182 CG2 THR A 212 -1.933 -7.022 3.365 1.00 1.00 C ATOM 0 H THR A 212 0.618 -8.226 3.812 1.00 1.00 H new ATOM 0 HA THR A 212 -0.055 -6.954 6.259 1.00 1.00 H new ATOM 0 HB THR A 212 0.016 -6.192 3.744 1.00 1.00 H new ATOM 0 HG1 THR A 212 -2.030 -4.811 4.276 1.00 1.00 H new ATOM 0 HG21 THR A 212 -2.169 -6.303 2.581 1.00 1.00 H new ATOM 0 HG22 THR A 212 -1.539 -7.933 2.915 1.00 1.00 H new ATOM 0 HG23 THR A 212 -2.838 -7.256 3.926 1.00 1.00 H new ATOM 190 N PRO A 213 -2.369 -7.481 6.981 1.00 1.00 N ATOM 191 CA PRO A 213 -3.610 -8.001 7.603 1.00 1.00 C ATOM 192 C PRO A 213 -4.814 -7.732 6.697 1.00 1.00 C ATOM 193 O PRO A 213 -5.804 -8.435 6.739 1.00 1.00 O ATOM 194 CB PRO A 213 -3.718 -7.208 8.903 1.00 1.00 C ATOM 195 CG PRO A 213 -2.956 -5.946 8.650 1.00 1.00 C ATOM 196 CD PRO A 213 -1.877 -6.273 7.651 1.00 1.00 C ATOM 0 HA PRO A 213 -3.589 -9.078 7.768 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -4.758 -6.998 9.152 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -3.296 -7.763 9.740 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -3.615 -5.169 8.264 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -2.522 -5.566 9.575 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -1.727 -5.457 6.944 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -0.920 -6.450 8.141 1.00 1.00 H new ATOM 204 N LEU A 214 -4.734 -6.720 5.877 1.00 1.00 N ATOM 205 CA LEU A 214 -5.874 -6.406 4.966 1.00 1.00 C ATOM 206 C LEU A 214 -5.415 -5.448 3.861 1.00 1.00 C ATOM 207 O LEU A 214 -4.784 -4.443 4.121 1.00 1.00 O ATOM 208 CB LEU A 214 -6.921 -5.737 5.856 1.00 1.00 C ATOM 209 CG LEU A 214 -8.147 -5.374 5.017 1.00 1.00 C ATOM 210 CD1 LEU A 214 -9.321 -6.273 5.411 1.00 1.00 C ATOM 211 CD2 LEU A 214 -8.519 -3.911 5.268 1.00 1.00 C ATOM 0 H LEU A 214 -3.930 -6.097 5.798 1.00 1.00 H new ATOM 0 HA LEU A 214 -6.268 -7.295 4.474 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -7.207 -6.408 6.666 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -6.504 -4.841 6.316 1.00 1.00 H new ATOM 0 HG LEU A 214 -7.920 -5.517 3.961 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -10.195 -6.014 4.813 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -9.056 -7.315 5.234 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -9.550 -6.131 6.467 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -9.393 -3.650 4.671 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -8.746 -3.769 6.325 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -7.683 -3.270 4.988 1.00 1.00 H new ATOM 223 N TRP A 215 -5.727 -5.751 2.631 1.00 1.00 N ATOM 224 CA TRP A 215 -5.307 -4.858 1.514 1.00 1.00 C ATOM 225 C TRP A 215 -6.304 -3.709 1.343 1.00 1.00 C ATOM 226 O TRP A 215 -7.458 -3.815 1.705 1.00 1.00 O ATOM 227 CB TRP A 215 -5.311 -5.752 0.274 1.00 1.00 C ATOM 228 CG TRP A 215 -4.268 -6.816 0.415 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.466 -8.026 0.988 1.00 1.00 C ATOM 230 CD2 TRP A 215 -2.876 -6.790 -0.015 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.286 -8.744 0.935 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.276 -8.026 0.326 1.00 1.00 C ATOM 233 CE3 TRP A 215 -2.082 -5.825 -0.663 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -0.938 -8.294 0.036 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -0.735 -6.092 -0.956 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.164 -7.325 -0.608 1.00 1.00 C ATOM 0 H TRP A 215 -6.254 -6.578 2.351 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.332 -4.406 1.695 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.293 -6.207 0.145 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -5.117 -5.155 -0.617 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.394 -8.374 1.417 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.175 -9.689 1.301 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.512 -4.873 -0.937 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -0.503 -9.245 0.308 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.135 -5.344 -1.452 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.872 -7.525 -0.837 1.00 1.00 H new ATOM 247 N ARG A 216 -5.865 -2.613 0.790 1.00 1.00 N ATOM 248 CA ARG A 216 -6.781 -1.454 0.587 1.00 1.00 C ATOM 249 C ARG A 216 -6.299 -0.611 -0.597 1.00 1.00 C ATOM 250 O ARG A 216 -5.219 -0.055 -0.577 1.00 1.00 O ATOM 251 CB ARG A 216 -6.700 -0.651 1.887 1.00 1.00 C ATOM 252 CG ARG A 216 -7.844 0.363 1.936 1.00 1.00 C ATOM 253 CD ARG A 216 -9.184 -0.373 1.855 1.00 1.00 C ATOM 254 NE ARG A 216 -10.195 0.618 2.314 1.00 1.00 N ATOM 255 CZ ARG A 216 -10.318 0.884 3.587 1.00 1.00 C ATOM 256 NH1 ARG A 216 -11.034 0.104 4.350 1.00 1.00 N ATOM 257 NH2 ARG A 216 -9.726 1.929 4.095 1.00 1.00 N ATOM 0 H ARG A 216 -4.908 -2.469 0.468 1.00 1.00 H new ATOM 0 HA ARG A 216 -7.802 -1.764 0.366 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -6.758 -1.321 2.745 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -5.741 -0.136 1.949 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -7.791 0.943 2.858 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -7.754 1.068 1.110 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -9.391 -0.706 0.838 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -9.186 -1.261 2.487 1.00 1.00 H new ATOM 0 HE ARG A 216 -10.792 1.090 1.635 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -11.497 -0.713 3.952 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -11.130 0.311 5.344 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -9.167 2.539 3.498 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -9.822 2.137 5.089 1.00 1.00 H new ATOM 271 N ARG A 217 -7.086 -0.523 -1.636 1.00 1.00 N ATOM 272 CA ARG A 217 -6.667 0.270 -2.822 1.00 1.00 C ATOM 273 C ARG A 217 -7.121 1.728 -2.691 1.00 1.00 C ATOM 274 O ARG A 217 -7.932 2.063 -1.851 1.00 1.00 O ATOM 275 CB ARG A 217 -7.361 -0.404 -4.004 1.00 1.00 C ATOM 276 CG ARG A 217 -7.128 -1.916 -3.937 1.00 1.00 C ATOM 277 CD ARG A 217 -8.472 -2.645 -3.992 1.00 1.00 C ATOM 278 NE ARG A 217 -8.806 -2.723 -5.440 1.00 1.00 N ATOM 279 CZ ARG A 217 -10.048 -2.637 -5.831 1.00 1.00 C ATOM 280 NH1 ARG A 217 -10.570 -1.469 -6.088 1.00 1.00 N ATOM 281 NH2 ARG A 217 -10.766 -3.718 -5.962 1.00 1.00 N ATOM 0 H ARG A 217 -8.001 -0.967 -1.712 1.00 1.00 H new ATOM 0 HA ARG A 217 -5.583 0.294 -2.937 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -8.429 -0.188 -3.984 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -6.974 -0.007 -4.942 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -6.496 -2.234 -4.766 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -6.601 -2.173 -3.018 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -8.401 -3.638 -3.549 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -9.239 -2.103 -3.438 1.00 1.00 H new ATOM 0 HE ARG A 217 -8.063 -2.844 -6.128 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -10.007 -0.625 -5.983 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -11.541 -1.400 -6.394 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -10.357 -4.630 -5.759 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -11.737 -3.651 -6.268 1.00 1.00 H new ATOM 295 N ASP A 218 -6.591 2.593 -3.511 1.00 1.00 N ATOM 296 CA ASP A 218 -6.969 4.031 -3.442 1.00 1.00 C ATOM 297 C ASP A 218 -7.257 4.567 -4.851 1.00 1.00 C ATOM 298 O ASP A 218 -7.572 3.819 -5.755 1.00 1.00 O ATOM 299 CB ASP A 218 -5.741 4.716 -2.841 1.00 1.00 C ATOM 300 CG ASP A 218 -4.465 4.150 -3.474 1.00 1.00 C ATOM 301 OD1 ASP A 218 -4.572 3.524 -4.517 1.00 1.00 O ATOM 302 OD2 ASP A 218 -3.406 4.352 -2.907 1.00 1.00 O ATOM 0 H ASP A 218 -5.907 2.362 -4.231 1.00 1.00 H new ATOM 0 HA ASP A 218 -7.868 4.206 -2.851 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -5.795 5.791 -3.010 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -5.720 4.563 -1.762 1.00 1.00 H new ATOM 307 N ARG A 219 -7.151 5.855 -5.048 1.00 1.00 N ATOM 308 CA ARG A 219 -7.418 6.428 -6.400 1.00 1.00 C ATOM 309 C ARG A 219 -6.647 5.650 -7.464 1.00 1.00 C ATOM 310 O ARG A 219 -7.055 5.565 -8.605 1.00 1.00 O ATOM 311 CB ARG A 219 -6.900 7.863 -6.334 1.00 1.00 C ATOM 312 CG ARG A 219 -8.035 8.839 -6.650 1.00 1.00 C ATOM 313 CD ARG A 219 -9.003 8.901 -5.466 1.00 1.00 C ATOM 314 NE ARG A 219 -9.912 10.040 -5.776 1.00 1.00 N ATOM 315 CZ ARG A 219 -9.701 11.211 -5.240 1.00 1.00 C ATOM 316 NH1 ARG A 219 -8.852 12.038 -5.786 1.00 1.00 N ATOM 317 NH2 ARG A 219 -10.341 11.555 -4.156 1.00 1.00 N ATOM 0 H ARG A 219 -6.892 6.534 -4.332 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.475 6.380 -6.661 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -6.497 8.069 -5.342 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -6.084 7.998 -7.044 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -7.630 9.830 -6.854 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -8.563 8.520 -7.548 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -9.559 7.969 -5.360 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -8.471 9.063 -4.528 1.00 1.00 H new ATOM 0 HE ARG A 219 -10.701 9.904 -6.408 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -8.352 11.770 -6.633 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -8.689 12.953 -5.365 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -11.005 10.909 -3.729 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -10.177 12.470 -3.736 1.00 1.00 H new ATOM 331 N THR A 220 -5.528 5.089 -7.102 1.00 1.00 N ATOM 332 CA THR A 220 -4.729 4.326 -8.097 1.00 1.00 C ATOM 333 C THR A 220 -5.170 2.860 -8.118 1.00 1.00 C ATOM 334 O THR A 220 -4.671 2.062 -8.886 1.00 1.00 O ATOM 335 CB THR A 220 -3.281 4.448 -7.620 1.00 1.00 C ATOM 336 OG1 THR A 220 -3.090 3.631 -6.473 1.00 1.00 O ATOM 337 CG2 THR A 220 -2.984 5.906 -7.265 1.00 1.00 C ATOM 0 H THR A 220 -5.134 5.126 -6.162 1.00 1.00 H new ATOM 0 HA THR A 220 -4.856 4.708 -9.110 1.00 1.00 H new ATOM 0 HB THR A 220 -2.607 4.123 -8.413 1.00 1.00 H new ATOM 0 HG1 THR A 220 -2.141 3.404 -6.388 1.00 1.00 H new ATOM 0 HG21 THR A 220 -1.952 5.995 -6.925 1.00 1.00 H new ATOM 0 HG22 THR A 220 -3.131 6.532 -8.145 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.657 6.232 -6.472 1.00 1.00 H new ATOM 345 N GLY A 221 -6.105 2.503 -7.282 1.00 1.00 N ATOM 346 CA GLY A 221 -6.585 1.094 -7.255 1.00 1.00 C ATOM 347 C GLY A 221 -5.412 0.152 -6.976 1.00 1.00 C ATOM 348 O GLY A 221 -5.398 -0.979 -7.417 1.00 1.00 O ATOM 0 H GLY A 221 -6.558 3.128 -6.615 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.349 0.975 -6.487 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -7.049 0.840 -8.208 1.00 1.00 H new ATOM 352 N HIS A 222 -4.430 0.605 -6.246 1.00 1.00 N ATOM 353 CA HIS A 222 -3.267 -0.276 -5.943 1.00 1.00 C ATOM 354 C HIS A 222 -3.569 -1.128 -4.706 1.00 1.00 C ATOM 355 O HIS A 222 -4.687 -1.173 -4.235 1.00 1.00 O ATOM 356 CB HIS A 222 -2.100 0.678 -5.678 1.00 1.00 C ATOM 357 CG HIS A 222 -1.499 1.105 -6.991 1.00 1.00 C ATOM 358 ND1 HIS A 222 -0.937 2.359 -7.176 1.00 1.00 N ATOM 359 CD2 HIS A 222 -1.364 0.453 -8.192 1.00 1.00 C ATOM 360 CE1 HIS A 222 -0.495 2.421 -8.447 1.00 1.00 C ATOM 361 NE2 HIS A 222 -0.730 1.287 -9.110 1.00 1.00 N ATOM 0 H HIS A 222 -4.382 1.543 -5.848 1.00 1.00 H new ATOM 0 HA HIS A 222 -3.042 -0.965 -6.757 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.447 1.550 -5.123 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.346 0.187 -5.062 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -1.699 -0.554 -8.394 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -0.009 3.284 -8.877 1.00 1.00 H new ATOM 0 HE2 HIS A 222 -0.496 1.076 -10.080 1.00 1.00 H new ATOM 369 N TYR A 223 -2.591 -1.814 -4.182 1.00 1.00 N ATOM 370 CA TYR A 223 -2.838 -2.668 -2.985 1.00 1.00 C ATOM 371 C TYR A 223 -1.755 -2.461 -1.922 1.00 1.00 C ATOM 372 O TYR A 223 -1.021 -3.371 -1.597 1.00 1.00 O ATOM 373 CB TYR A 223 -2.787 -4.101 -3.517 1.00 1.00 C ATOM 374 CG TYR A 223 -4.172 -4.551 -3.913 1.00 1.00 C ATOM 375 CD1 TYR A 223 -4.766 -4.058 -5.082 1.00 1.00 C ATOM 376 CD2 TYR A 223 -4.861 -5.467 -3.111 1.00 1.00 C ATOM 377 CE1 TYR A 223 -6.050 -4.482 -5.445 1.00 1.00 C ATOM 378 CE2 TYR A 223 -6.144 -5.891 -3.473 1.00 1.00 C ATOM 379 CZ TYR A 223 -6.739 -5.398 -4.641 1.00 1.00 C ATOM 380 OH TYR A 223 -8.004 -5.816 -4.998 1.00 1.00 O ATOM 0 H TYR A 223 -1.632 -1.821 -4.530 1.00 1.00 H new ATOM 0 HA TYR A 223 -3.788 -2.428 -2.507 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.118 -4.156 -4.376 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -2.383 -4.767 -2.755 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -4.234 -3.352 -5.702 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -4.402 -5.848 -2.211 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -6.509 -4.102 -6.346 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -6.675 -6.598 -2.853 1.00 1.00 H new ATOM 0 HH TYR A 223 -8.338 -6.452 -4.332 1.00 1.00 H new ATOM 390 N LEU A 224 -1.653 -1.284 -1.365 1.00 1.00 N ATOM 391 CA LEU A 224 -0.615 -1.061 -0.314 1.00 1.00 C ATOM 392 C LEU A 224 -0.812 -2.067 0.822 1.00 1.00 C ATOM 393 O LEU A 224 -1.839 -2.709 0.921 1.00 1.00 O ATOM 394 CB LEU A 224 -0.836 0.367 0.190 1.00 1.00 C ATOM 395 CG LEU A 224 -0.390 1.366 -0.879 1.00 1.00 C ATOM 396 CD1 LEU A 224 -1.073 2.713 -0.638 1.00 1.00 C ATOM 397 CD2 LEU A 224 1.127 1.548 -0.804 1.00 1.00 C ATOM 0 H LEU A 224 -2.235 -0.476 -1.587 1.00 1.00 H new ATOM 0 HA LEU A 224 0.396 -1.193 -0.699 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -1.889 0.520 0.428 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -0.274 0.529 1.110 1.00 1.00 H new ATOM 0 HG LEU A 224 -0.666 0.989 -1.864 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -0.754 3.424 -1.400 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -2.154 2.587 -0.689 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -0.798 3.090 0.347 1.00 1.00 H new ATOM 0 HD21 LEU A 224 1.446 2.260 -1.565 1.00 1.00 H new ATOM 0 HD22 LEU A 224 1.400 1.924 0.182 1.00 1.00 H new ATOM 0 HD23 LEU A 224 1.617 0.590 -0.975 1.00 1.00 H new ATOM 409 N CYS A 225 0.158 -2.212 1.679 1.00 1.00 N ATOM 410 CA CYS A 225 0.014 -3.182 2.801 1.00 1.00 C ATOM 411 C CYS A 225 -0.287 -2.444 4.109 1.00 1.00 C ATOM 412 O CYS A 225 0.291 -2.725 5.140 1.00 1.00 O ATOM 413 CB CYS A 225 1.366 -3.891 2.884 1.00 1.00 C ATOM 414 SG CYS A 225 2.612 -2.739 3.511 1.00 1.00 S ATOM 0 H CYS A 225 1.042 -1.703 1.653 1.00 1.00 H new ATOM 0 HA CYS A 225 -0.806 -3.881 2.639 1.00 1.00 H new ATOM 0 HB2 CYS A 225 1.294 -4.759 3.540 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.657 -4.259 1.900 1.00 1.00 H new ATOM 0 HG CYS A 225 3.725 -2.907 2.861 1.00 1.00 H new ATOM 419 N ASN A 226 -1.191 -1.502 4.077 1.00 1.00 N ATOM 420 CA ASN A 226 -1.532 -0.750 5.322 1.00 1.00 C ATOM 421 C ASN A 226 -0.349 0.114 5.766 1.00 1.00 C ATOM 422 O ASN A 226 -0.458 1.318 5.884 1.00 1.00 O ATOM 423 CB ASN A 226 -1.827 -1.827 6.367 1.00 1.00 C ATOM 424 CG ASN A 226 -3.074 -1.441 7.163 1.00 1.00 C ATOM 425 OD1 ASN A 226 -3.928 -0.731 6.669 1.00 1.00 O ATOM 426 ND2 ASN A 226 -3.216 -1.881 8.383 1.00 1.00 N ATOM 0 H ASN A 226 -1.708 -1.220 3.244 1.00 1.00 H new ATOM 0 HA ASN A 226 -2.377 -0.077 5.176 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -1.978 -2.790 5.879 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -0.975 -1.940 7.038 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -4.044 -1.629 8.923 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -2.499 -2.477 8.797 1.00 1.00 H new ATOM 433 N ALA A 227 0.779 -0.491 6.019 1.00 1.00 N ATOM 434 CA ALA A 227 1.967 0.294 6.465 1.00 1.00 C ATOM 435 C ALA A 227 2.351 1.336 5.413 1.00 1.00 C ATOM 436 O ALA A 227 2.656 2.469 5.728 1.00 1.00 O ATOM 437 CB ALA A 227 3.083 -0.737 6.629 1.00 1.00 C ATOM 0 H ALA A 227 0.930 -1.496 5.936 1.00 1.00 H new ATOM 0 HA ALA A 227 1.773 0.840 7.388 1.00 1.00 H new ATOM 0 HB1 ALA A 227 3.995 -0.237 6.956 1.00 1.00 H new ATOM 0 HB2 ALA A 227 2.788 -1.477 7.373 1.00 1.00 H new ATOM 0 HB3 ALA A 227 3.263 -1.233 5.675 1.00 1.00 H new ATOM 443 N CYS A 228 2.343 0.962 4.166 1.00 1.00 N ATOM 444 CA CYS A 228 2.710 1.932 3.094 1.00 1.00 C ATOM 445 C CYS A 228 1.584 2.943 2.878 1.00 1.00 C ATOM 446 O CYS A 228 1.821 4.106 2.616 1.00 1.00 O ATOM 447 CB CYS A 228 2.912 1.084 1.845 1.00 1.00 C ATOM 448 SG CYS A 228 4.451 0.138 1.988 1.00 1.00 S ATOM 0 H CYS A 228 2.098 0.027 3.840 1.00 1.00 H new ATOM 0 HA CYS A 228 3.602 2.505 3.349 1.00 1.00 H new ATOM 0 HB2 CYS A 228 2.068 0.406 1.714 1.00 1.00 H new ATOM 0 HB3 CYS A 228 2.948 1.723 0.962 1.00 1.00 H new ATOM 0 HG CYS A 228 4.200 -1.020 2.522 1.00 1.00 H new ATOM 453 N GLY A 229 0.357 2.508 2.980 1.00 1.00 N ATOM 454 CA GLY A 229 -0.784 3.445 2.777 1.00 1.00 C ATOM 455 C GLY A 229 -0.926 4.356 3.997 1.00 1.00 C ATOM 456 O GLY A 229 -1.559 5.392 3.940 1.00 1.00 O ATOM 0 H GLY A 229 0.096 1.546 3.195 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -0.620 4.044 1.881 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -1.705 2.883 2.621 1.00 1.00 H new ATOM 460 N LEU A 230 -0.343 3.980 5.102 1.00 1.00 N ATOM 461 CA LEU A 230 -0.448 4.827 6.325 1.00 1.00 C ATOM 462 C LEU A 230 -0.219 6.300 5.973 1.00 1.00 C ATOM 463 O LEU A 230 -0.978 7.165 6.363 1.00 1.00 O ATOM 464 CB LEU A 230 0.654 4.324 7.252 1.00 1.00 C ATOM 465 CG LEU A 230 0.048 3.940 8.601 1.00 1.00 C ATOM 466 CD1 LEU A 230 1.169 3.612 9.589 1.00 1.00 C ATOM 467 CD2 LEU A 230 -0.779 5.110 9.139 1.00 1.00 C ATOM 0 H LEU A 230 0.201 3.124 5.212 1.00 1.00 H new ATOM 0 HA LEU A 230 -1.433 4.760 6.787 1.00 1.00 H new ATOM 0 HB2 LEU A 230 1.153 3.463 6.807 1.00 1.00 H new ATOM 0 HB3 LEU A 230 1.411 5.097 7.388 1.00 1.00 H new ATOM 0 HG LEU A 230 -0.593 3.067 8.476 1.00 1.00 H new ATOM 0 HD11 LEU A 230 0.737 3.338 10.552 1.00 1.00 H new ATOM 0 HD12 LEU A 230 1.759 2.780 9.206 1.00 1.00 H new ATOM 0 HD13 LEU A 230 1.810 4.484 9.714 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -1.212 4.837 10.101 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -0.137 5.982 9.264 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -1.578 5.345 8.435 1.00 1.00 H new ATOM 479 N TYR A 231 0.820 6.589 5.240 1.00 1.00 N ATOM 480 CA TYR A 231 1.095 8.007 4.864 1.00 1.00 C ATOM 481 C TYR A 231 -0.088 8.583 4.081 1.00 1.00 C ATOM 482 O TYR A 231 -0.643 9.604 4.437 1.00 1.00 O ATOM 483 CB TYR A 231 2.345 7.948 3.986 1.00 1.00 C ATOM 484 CG TYR A 231 3.136 9.225 4.147 1.00 1.00 C ATOM 485 CD1 TYR A 231 3.976 9.393 5.254 1.00 1.00 C ATOM 486 CD2 TYR A 231 3.028 10.241 3.189 1.00 1.00 C ATOM 487 CE1 TYR A 231 4.708 10.576 5.403 1.00 1.00 C ATOM 488 CE2 TYR A 231 3.763 11.424 3.338 1.00 1.00 C ATOM 489 CZ TYR A 231 4.602 11.591 4.445 1.00 1.00 C ATOM 490 OH TYR A 231 5.326 12.757 4.592 1.00 1.00 O ATOM 0 H TYR A 231 1.490 5.907 4.885 1.00 1.00 H new ATOM 0 HA TYR A 231 1.240 8.646 5.735 1.00 1.00 H new ATOM 0 HB2 TYR A 231 2.958 7.091 4.265 1.00 1.00 H new ATOM 0 HB3 TYR A 231 2.063 7.812 2.942 1.00 1.00 H new ATOM 0 HD1 TYR A 231 4.059 8.610 5.993 1.00 1.00 H new ATOM 0 HD2 TYR A 231 2.378 10.112 2.336 1.00 1.00 H new ATOM 0 HE1 TYR A 231 5.355 10.706 6.258 1.00 1.00 H new ATOM 0 HE2 TYR A 231 3.682 12.207 2.599 1.00 1.00 H new ATOM 0 HH TYR A 231 4.762 13.442 5.007 1.00 1.00 H new ATOM 500 N HIS A 232 -0.476 7.936 3.015 1.00 1.00 N ATOM 501 CA HIS A 232 -1.619 8.448 2.208 1.00 1.00 C ATOM 502 C HIS A 232 -2.852 8.653 3.095 1.00 1.00 C ATOM 503 O HIS A 232 -3.753 9.394 2.758 1.00 1.00 O ATOM 504 CB HIS A 232 -1.887 7.360 1.167 1.00 1.00 C ATOM 505 CG HIS A 232 -2.630 7.953 0.003 1.00 1.00 C ATOM 506 ND1 HIS A 232 -2.241 8.816 -0.992 1.00 1.00 N flip ATOM 507 CD2 HIS A 232 -3.966 7.671 -0.244 1.00 1.00 C flip ATOM 508 CE1 HIS A 232 -3.313 9.067 -1.843 1.00 1.00 C flip ATOM 509 NE2 HIS A 232 -4.328 8.352 -1.347 1.00 1.00 N flip ATOM 0 H HIS A 232 -0.051 7.076 2.669 1.00 1.00 H new ATOM 0 HA HIS A 232 -1.397 9.411 1.748 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -0.946 6.926 0.829 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -2.469 6.553 1.611 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -4.600 7.023 0.342 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -3.323 9.703 -2.716 1.00 1.00 H new ATOM 0 HE2 HIS A 232 -5.263 8.326 -1.755 1.00 1.00 H new ATOM 517 N LYS A 233 -2.900 8.001 4.224 1.00 1.00 N ATOM 518 CA LYS A 233 -4.076 8.160 5.126 1.00 1.00 C ATOM 519 C LYS A 233 -3.953 9.452 5.942 1.00 1.00 C ATOM 520 O LYS A 233 -4.882 10.230 6.032 1.00 1.00 O ATOM 521 CB LYS A 233 -4.038 6.940 6.048 1.00 1.00 C ATOM 522 CG LYS A 233 -4.097 5.664 5.208 1.00 1.00 C ATOM 523 CD LYS A 233 -5.493 5.048 5.311 1.00 1.00 C ATOM 524 CE LYS A 233 -5.543 3.750 4.500 1.00 1.00 C ATOM 525 NZ LYS A 233 -6.349 2.810 5.327 1.00 1.00 N ATOM 0 H LYS A 233 -2.177 7.366 4.561 1.00 1.00 H new ATOM 0 HA LYS A 233 -5.012 8.224 4.571 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -3.127 6.952 6.647 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -4.877 6.970 6.743 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -3.864 5.890 4.168 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -3.348 4.953 5.555 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -5.736 4.846 6.354 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -6.240 5.750 4.939 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -6.003 3.911 3.525 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -4.542 3.358 4.320 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -6.428 1.896 4.837 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -5.884 2.670 6.247 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -7.299 3.206 5.476 1.00 1.00 H new ATOM 539 N MET A 234 -2.816 9.682 6.537 1.00 1.00 N ATOM 540 CA MET A 234 -2.638 10.920 7.350 1.00 1.00 C ATOM 541 C MET A 234 -2.087 12.053 6.483 1.00 1.00 C ATOM 542 O MET A 234 -2.709 13.084 6.319 1.00 1.00 O ATOM 543 CB MET A 234 -1.631 10.538 8.434 1.00 1.00 C ATOM 544 CG MET A 234 -2.370 9.919 9.620 1.00 1.00 C ATOM 545 SD MET A 234 -2.252 11.024 11.049 1.00 1.00 S ATOM 546 CE MET A 234 -1.778 9.771 12.266 1.00 1.00 C ATOM 0 H MET A 234 -2.003 9.068 6.496 1.00 1.00 H new ATOM 0 HA MET A 234 -3.579 11.274 7.771 1.00 1.00 H new ATOM 0 HB2 MET A 234 -0.903 9.831 8.036 1.00 1.00 H new ATOM 0 HB3 MET A 234 -1.076 11.419 8.757 1.00 1.00 H new ATOM 0 HG2 MET A 234 -3.416 9.751 9.363 1.00 1.00 H new ATOM 0 HG3 MET A 234 -1.941 8.947 9.862 1.00 1.00 H new ATOM 0 HE1 MET A 234 -1.649 10.241 13.241 1.00 1.00 H new ATOM 0 HE2 MET A 234 -2.558 9.012 12.329 1.00 1.00 H new ATOM 0 HE3 MET A 234 -0.841 9.304 11.962 1.00 1.00 H new ATOM 556 N ASN A 235 -0.923 11.869 5.932 1.00 1.00 N ATOM 557 CA ASN A 235 -0.323 12.935 5.079 1.00 1.00 C ATOM 558 C ASN A 235 -1.104 13.068 3.770 1.00 1.00 C ATOM 559 O ASN A 235 -1.202 14.137 3.200 1.00 1.00 O ATOM 560 CB ASN A 235 1.106 12.464 4.809 1.00 1.00 C ATOM 561 CG ASN A 235 2.010 12.896 5.964 1.00 1.00 C ATOM 562 OD1 ASN A 235 3.087 13.587 5.712 1.00 1.00 O flip ATOM 563 ND2 ASN A 235 1.731 12.601 7.111 1.00 1.00 N flip ATOM 0 H ASN A 235 -0.358 11.026 6.034 1.00 1.00 H new ATOM 0 HA ASN A 235 -0.346 13.913 5.560 1.00 1.00 H new ATOM 0 HB2 ASN A 235 1.129 11.380 4.701 1.00 1.00 H new ATOM 0 HB3 ASN A 235 1.469 12.886 3.872 1.00 1.00 H new ATOM 0 HD21 ASN A 235 0.889 12.061 7.308 1.00 1.00 H new ATOM 0 HD22 ASN A 235 2.339 12.894 7.875 1.00 1.00 H new ATOM 570 N GLY A 236 -1.659 11.992 3.288 1.00 1.00 N ATOM 571 CA GLY A 236 -2.433 12.054 2.021 1.00 1.00 C ATOM 572 C GLY A 236 -1.494 11.844 0.831 1.00 1.00 C ATOM 573 O GLY A 236 -1.907 11.426 -0.232 1.00 1.00 O ATOM 0 H GLY A 236 -1.609 11.069 3.720 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -3.211 11.291 2.021 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -2.933 13.019 1.936 1.00 1.00 H new ATOM 577 N GLN A 237 -0.231 12.131 0.999 1.00 1.00 N ATOM 578 CA GLN A 237 0.730 11.946 -0.124 1.00 1.00 C ATOM 579 C GLN A 237 1.084 10.465 -0.279 1.00 1.00 C ATOM 580 O GLN A 237 0.626 9.626 0.471 1.00 1.00 O ATOM 581 CB GLN A 237 1.967 12.752 0.278 1.00 1.00 C ATOM 582 CG GLN A 237 1.567 14.209 0.524 1.00 1.00 C ATOM 583 CD GLN A 237 2.827 15.055 0.715 1.00 1.00 C ATOM 584 OE1 GLN A 237 3.926 14.592 0.487 1.00 1.00 O ATOM 585 NE2 GLN A 237 2.712 16.289 1.128 1.00 1.00 N ATOM 0 H GLN A 237 0.176 12.485 1.865 1.00 1.00 H new ATOM 0 HA GLN A 237 0.319 12.276 -1.078 1.00 1.00 H new ATOM 0 HB2 GLN A 237 2.413 12.329 1.178 1.00 1.00 H new ATOM 0 HB3 GLN A 237 2.721 12.698 -0.507 1.00 1.00 H new ATOM 0 HG2 GLN A 237 0.987 14.586 -0.318 1.00 1.00 H new ATOM 0 HG3 GLN A 237 0.931 14.279 1.406 1.00 1.00 H new ATOM 0 HE21 GLN A 237 1.789 16.679 1.320 1.00 1.00 H new ATOM 0 HE22 GLN A 237 3.545 16.863 1.259 1.00 1.00 H new ATOM 594 N ASN A 238 1.895 10.137 -1.246 1.00 1.00 N ATOM 595 CA ASN A 238 2.278 8.712 -1.447 1.00 1.00 C ATOM 596 C ASN A 238 3.302 8.289 -0.389 1.00 1.00 C ATOM 597 O ASN A 238 3.652 9.055 0.488 1.00 1.00 O ATOM 598 CB ASN A 238 2.896 8.667 -2.843 1.00 1.00 C ATOM 599 CG ASN A 238 1.902 9.239 -3.856 1.00 1.00 C ATOM 600 OD1 ASN A 238 0.821 9.658 -3.494 1.00 1.00 O ATOM 601 ND2 ASN A 238 2.226 9.274 -5.121 1.00 1.00 N ATOM 0 H ASN A 238 2.309 10.795 -1.906 1.00 1.00 H new ATOM 0 HA ASN A 238 1.429 8.034 -1.355 1.00 1.00 H new ATOM 0 HB2 ASN A 238 3.822 9.241 -2.862 1.00 1.00 H new ATOM 0 HB3 ASN A 238 3.152 7.641 -3.107 1.00 1.00 H new ATOM 0 HD21 ASN A 238 1.571 9.653 -5.805 1.00 1.00 H new ATOM 0 HD22 ASN A 238 3.134 8.922 -5.425 1.00 1.00 H new ATOM 608 N ARG A 239 3.780 7.078 -0.462 1.00 1.00 N ATOM 609 CA ARG A 239 4.777 6.614 0.543 1.00 1.00 C ATOM 610 C ARG A 239 6.193 6.734 -0.022 1.00 1.00 C ATOM 611 O ARG A 239 6.427 6.457 -1.182 1.00 1.00 O ATOM 612 CB ARG A 239 4.427 5.148 0.804 1.00 1.00 C ATOM 613 CG ARG A 239 5.229 4.635 2.002 1.00 1.00 C ATOM 614 CD ARG A 239 4.600 5.152 3.298 1.00 1.00 C ATOM 615 NE ARG A 239 5.614 4.876 4.355 1.00 1.00 N ATOM 616 CZ ARG A 239 5.516 5.456 5.520 1.00 1.00 C ATOM 617 NH1 ARG A 239 4.349 5.830 5.966 1.00 1.00 N ATOM 618 NH2 ARG A 239 6.586 5.660 6.240 1.00 1.00 N ATOM 0 H ARG A 239 3.524 6.391 -1.172 1.00 1.00 H new ATOM 0 HA ARG A 239 4.748 7.208 1.456 1.00 1.00 H new ATOM 0 HB2 ARG A 239 3.359 5.047 0.998 1.00 1.00 H new ATOM 0 HB3 ARG A 239 4.648 4.548 -0.079 1.00 1.00 H new ATOM 0 HG2 ARG A 239 5.245 3.545 2.003 1.00 1.00 H new ATOM 0 HG3 ARG A 239 6.264 4.969 1.930 1.00 1.00 H new ATOM 0 HD2 ARG A 239 4.379 6.217 3.232 1.00 1.00 H new ATOM 0 HD3 ARG A 239 3.660 4.644 3.511 1.00 1.00 H new ATOM 0 HE ARG A 239 6.384 4.234 4.168 1.00 1.00 H new ATOM 0 HH11 ARG A 239 3.513 5.669 5.404 1.00 1.00 H new ATOM 0 HH12 ARG A 239 4.272 6.283 6.877 1.00 1.00 H new ATOM 0 HH21 ARG A 239 7.499 5.366 5.892 1.00 1.00 H new ATOM 0 HH22 ARG A 239 6.509 6.113 7.150 1.00 1.00 H new