USER MOD reduce.3.24.130724 H: found=0, std=0, add=294, rem=0, adj=12 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 78:sc= 0.436 USER MOD Set 1.2: A 235 ASN :FLIP amide:sc= -0.132 F(o=-0.81,f=0.3) USER MOD Set 2.1: A 220 THR OG1 : rot -79:sc= 0.597 USER MOD Set 2.2: A 222 HIS : no HD1:sc= -6.77! C(o=-6.2!,f=-6.8!) USER MOD Set 3.1: A 204 CYS SG : rot 155:sc= -1.77! USER MOD Set 3.2: A 207 CYS SG : rot -57:sc= -3.4! USER MOD Set 3.3: A 225 CYS SG : rot -141:sc= -0.554 USER MOD Set 3.4: A 228 CYS SG : rot 91:sc= 0.171 USER MOD Single : A 206 ASN : amide:sc= -3.19! C(o=-3.2!,f=-4!) USER MOD Single : A 210 THR OG1 : rot 43:sc= 0.194 USER MOD Single : A 212 THR OG1 : rot -130:sc= -1.93! USER MOD Single : A 223 TYR OH : rot 180:sc= -0.978 USER MOD Single : A 226 ASN : amide:sc= -0.208 K(o=-0.21,f=-2.5!) USER MOD Single : A 232 HIS :FLIP no HE2:sc= -1.28 F(o=-3.3!,f=-1.3) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl -166:sc= 0 (180deg=-0.163) USER MOD Single : A 237 GLN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 238 ASN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD ----------------------------------------------------------------- ATOM 36 N ALA A 201 -1.242 -14.524 -1.835 1.00 1.00 N ATOM 37 CA ALA A 201 -1.814 -13.193 -1.482 1.00 1.00 C ATOM 38 C ALA A 201 -1.388 -12.145 -2.514 1.00 1.00 C ATOM 39 O ALA A 201 -0.588 -12.409 -3.389 1.00 1.00 O ATOM 40 CB ALA A 201 -1.232 -12.863 -0.109 1.00 1.00 C ATOM 0 HA ALA A 201 -2.904 -13.201 -1.470 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -1.607 -11.894 0.222 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -1.529 -13.630 0.606 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -0.144 -12.829 -0.174 1.00 1.00 H new ATOM 46 N ARG A 202 -1.917 -10.955 -2.415 1.00 1.00 N ATOM 47 CA ARG A 202 -1.542 -9.889 -3.388 1.00 1.00 C ATOM 48 C ARG A 202 -0.143 -9.353 -3.070 1.00 1.00 C ATOM 49 O ARG A 202 0.533 -9.838 -2.184 1.00 1.00 O ATOM 50 CB ARG A 202 -2.591 -8.792 -3.193 1.00 1.00 C ATOM 51 CG ARG A 202 -3.883 -9.185 -3.912 1.00 1.00 C ATOM 52 CD ARG A 202 -3.703 -9.008 -5.422 1.00 1.00 C ATOM 53 NE ARG A 202 -4.253 -10.254 -6.023 1.00 1.00 N ATOM 54 CZ ARG A 202 -3.531 -10.947 -6.861 1.00 1.00 C ATOM 55 NH1 ARG A 202 -3.031 -10.374 -7.920 1.00 1.00 N ATOM 56 NH2 ARG A 202 -3.311 -12.214 -6.639 1.00 1.00 N ATOM 0 H ARG A 202 -2.592 -10.675 -1.703 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.518 -10.255 -4.414 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -2.784 -8.644 -2.131 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.219 -7.845 -3.584 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -4.138 -10.220 -3.685 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -4.710 -8.569 -3.559 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -4.235 -8.128 -5.783 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -2.653 -8.875 -5.682 1.00 1.00 H new ATOM 0 HE ARG A 202 -5.193 -10.566 -5.780 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -3.204 -9.384 -8.094 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -2.467 -10.916 -8.575 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -3.703 -12.662 -5.811 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -2.747 -12.756 -7.294 1.00 1.00 H new ATOM 70 N GLU A 203 0.295 -8.354 -3.787 1.00 1.00 N ATOM 71 CA GLU A 203 1.649 -7.784 -3.525 1.00 1.00 C ATOM 72 C GLU A 203 1.552 -6.263 -3.381 1.00 1.00 C ATOM 73 O GLU A 203 1.127 -5.570 -4.284 1.00 1.00 O ATOM 74 CB GLU A 203 2.481 -8.158 -4.751 1.00 1.00 C ATOM 75 CG GLU A 203 3.306 -9.410 -4.446 1.00 1.00 C ATOM 76 CD GLU A 203 3.372 -10.297 -5.689 1.00 1.00 C ATOM 77 OE1 GLU A 203 2.488 -11.121 -5.853 1.00 1.00 O ATOM 78 OE2 GLU A 203 4.307 -10.138 -6.458 1.00 1.00 O ATOM 0 H GLU A 203 -0.225 -7.908 -4.542 1.00 1.00 H new ATOM 0 HA GLU A 203 2.093 -8.166 -2.605 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.828 -8.339 -5.605 1.00 1.00 H new ATOM 0 HB3 GLU A 203 3.140 -7.333 -5.022 1.00 1.00 H new ATOM 0 HG2 GLU A 203 4.312 -9.128 -4.135 1.00 1.00 H new ATOM 0 HG3 GLU A 203 2.858 -9.960 -3.618 1.00 1.00 H new ATOM 85 N CYS A 204 1.939 -5.736 -2.251 1.00 1.00 N ATOM 86 CA CYS A 204 1.862 -4.265 -2.052 1.00 1.00 C ATOM 87 C CYS A 204 2.518 -3.534 -3.222 1.00 1.00 C ATOM 88 O CYS A 204 3.703 -3.654 -3.461 1.00 1.00 O ATOM 89 CB CYS A 204 2.631 -4.003 -0.763 1.00 1.00 C ATOM 90 SG CYS A 204 2.522 -2.252 -0.341 1.00 1.00 S ATOM 0 H CYS A 204 2.305 -6.263 -1.458 1.00 1.00 H new ATOM 0 HA CYS A 204 0.833 -3.911 -1.996 1.00 1.00 H new ATOM 0 HB2 CYS A 204 2.223 -4.609 0.046 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.674 -4.294 -0.884 1.00 1.00 H new ATOM 0 HG CYS A 204 2.686 -2.103 0.940 1.00 1.00 H new ATOM 95 N VAL A 205 1.754 -2.769 -3.948 1.00 1.00 N ATOM 96 CA VAL A 205 2.320 -2.015 -5.101 1.00 1.00 C ATOM 97 C VAL A 205 3.560 -1.217 -4.674 1.00 1.00 C ATOM 98 O VAL A 205 4.325 -0.761 -5.502 1.00 1.00 O ATOM 99 CB VAL A 205 1.197 -1.067 -5.529 1.00 1.00 C ATOM 100 CG1 VAL A 205 0.826 -0.159 -4.356 1.00 1.00 C ATOM 101 CG2 VAL A 205 1.669 -0.209 -6.704 1.00 1.00 C ATOM 0 H VAL A 205 0.755 -2.632 -3.792 1.00 1.00 H new ATOM 0 HA VAL A 205 2.639 -2.675 -5.907 1.00 1.00 H new ATOM 0 HB VAL A 205 0.327 -1.650 -5.832 1.00 1.00 H new ATOM 0 HG11 VAL A 205 0.026 0.517 -4.658 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.489 -0.768 -3.517 1.00 1.00 H new ATOM 0 HG13 VAL A 205 1.698 0.422 -4.055 1.00 1.00 H new ATOM 0 HG21 VAL A 205 0.868 0.465 -7.007 1.00 1.00 H new ATOM 0 HG22 VAL A 205 2.539 0.374 -6.402 1.00 1.00 H new ATOM 0 HG23 VAL A 205 1.937 -0.854 -7.541 1.00 1.00 H new ATOM 111 N ASN A 206 3.754 -1.017 -3.396 1.00 1.00 N ATOM 112 CA ASN A 206 4.930 -0.218 -2.943 1.00 1.00 C ATOM 113 C ASN A 206 6.063 -1.098 -2.391 1.00 1.00 C ATOM 114 O ASN A 206 7.190 -1.003 -2.833 1.00 1.00 O ATOM 115 CB ASN A 206 4.381 0.686 -1.840 1.00 1.00 C ATOM 116 CG ASN A 206 3.834 1.970 -2.464 1.00 1.00 C ATOM 117 OD1 ASN A 206 4.049 2.232 -3.632 1.00 1.00 O ATOM 118 ND2 ASN A 206 3.132 2.789 -1.733 1.00 1.00 N ATOM 0 H ASN A 206 3.153 -1.370 -2.651 1.00 1.00 H new ATOM 0 HA ASN A 206 5.369 0.334 -3.774 1.00 1.00 H new ATOM 0 HB2 ASN A 206 3.593 0.171 -1.290 1.00 1.00 H new ATOM 0 HB3 ASN A 206 5.167 0.923 -1.123 1.00 1.00 H new ATOM 0 HD21 ASN A 206 2.764 3.648 -2.141 1.00 1.00 H new ATOM 0 HD22 ASN A 206 2.951 2.571 -0.753 1.00 1.00 H new ATOM 125 N CYS A 207 5.801 -1.921 -1.407 1.00 1.00 N ATOM 126 CA CYS A 207 6.903 -2.740 -0.835 1.00 1.00 C ATOM 127 C CYS A 207 6.690 -4.248 -1.069 1.00 1.00 C ATOM 128 O CYS A 207 7.496 -5.062 -0.665 1.00 1.00 O ATOM 129 CB CYS A 207 6.903 -2.374 0.652 1.00 1.00 C ATOM 130 SG CYS A 207 5.615 -3.277 1.542 1.00 1.00 S ATOM 0 H CYS A 207 4.884 -2.058 -0.982 1.00 1.00 H new ATOM 0 HA CYS A 207 7.862 -2.534 -1.309 1.00 1.00 H new ATOM 0 HB2 CYS A 207 7.877 -2.601 1.086 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.745 -1.302 0.766 1.00 1.00 H new ATOM 0 HG CYS A 207 4.458 -3.025 1.005 1.00 1.00 H new ATOM 135 N GLY A 208 5.637 -4.627 -1.747 1.00 1.00 N ATOM 136 CA GLY A 208 5.408 -6.080 -2.034 1.00 1.00 C ATOM 137 C GLY A 208 4.908 -6.808 -0.785 1.00 1.00 C ATOM 138 O GLY A 208 4.756 -8.014 -0.773 1.00 1.00 O ATOM 0 H GLY A 208 4.925 -3.996 -2.115 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.680 -6.186 -2.838 1.00 1.00 H new ATOM 0 HA3 GLY A 208 6.335 -6.537 -2.381 1.00 1.00 H new ATOM 142 N ALA A 209 4.650 -6.089 0.262 1.00 1.00 N ATOM 143 CA ALA A 209 4.156 -6.727 1.513 1.00 1.00 C ATOM 144 C ALA A 209 3.021 -7.702 1.194 1.00 1.00 C ATOM 145 O ALA A 209 1.950 -7.304 0.787 1.00 1.00 O ATOM 146 CB ALA A 209 3.644 -5.565 2.360 1.00 1.00 C ATOM 0 H ALA A 209 4.760 -5.076 0.310 1.00 1.00 H new ATOM 0 HA ALA A 209 4.929 -7.300 2.025 1.00 1.00 H new ATOM 0 HB1 ALA A 209 3.259 -5.946 3.306 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.460 -4.869 2.554 1.00 1.00 H new ATOM 0 HB3 ALA A 209 2.847 -5.049 1.825 1.00 1.00 H new ATOM 152 N THR A 210 3.246 -8.975 1.374 1.00 1.00 N ATOM 153 CA THR A 210 2.173 -9.967 1.073 1.00 1.00 C ATOM 154 C THR A 210 1.549 -10.487 2.370 1.00 1.00 C ATOM 155 O THR A 210 0.891 -11.507 2.388 1.00 1.00 O ATOM 156 CB THR A 210 2.877 -11.102 0.330 1.00 1.00 C ATOM 157 OG1 THR A 210 3.577 -10.573 -0.787 1.00 1.00 O ATOM 158 CG2 THR A 210 1.837 -12.112 -0.147 1.00 1.00 C ATOM 0 H THR A 210 4.122 -9.371 1.715 1.00 1.00 H new ATOM 0 HA THR A 210 1.366 -9.531 0.484 1.00 1.00 H new ATOM 0 HB THR A 210 3.584 -11.595 0.997 1.00 1.00 H new ATOM 0 HG1 THR A 210 4.038 -9.749 -0.524 1.00 1.00 H new ATOM 0 HG21 THR A 210 2.335 -12.924 -0.678 1.00 1.00 H new ATOM 0 HG22 THR A 210 1.301 -12.515 0.712 1.00 1.00 H new ATOM 0 HG23 THR A 210 1.132 -11.619 -0.816 1.00 1.00 H new ATOM 166 N ALA A 211 1.747 -9.791 3.455 1.00 1.00 N ATOM 167 CA ALA A 211 1.163 -10.245 4.749 1.00 1.00 C ATOM 168 C ALA A 211 0.508 -9.067 5.476 1.00 1.00 C ATOM 169 O ALA A 211 0.839 -8.763 6.605 1.00 1.00 O ATOM 170 CB ALA A 211 2.349 -10.778 5.553 1.00 1.00 C ATOM 0 H ALA A 211 2.288 -8.927 3.502 1.00 1.00 H new ATOM 0 HA ALA A 211 0.391 -11.002 4.611 1.00 1.00 H new ATOM 0 HB1 ALA A 211 2.001 -11.133 6.523 1.00 1.00 H new ATOM 0 HB2 ALA A 211 2.815 -11.601 5.011 1.00 1.00 H new ATOM 0 HB3 ALA A 211 3.078 -9.981 5.699 1.00 1.00 H new ATOM 176 N THR A 212 -0.417 -8.401 4.841 1.00 1.00 N ATOM 177 CA THR A 212 -1.089 -7.244 5.500 1.00 1.00 C ATOM 178 C THR A 212 -2.559 -7.570 5.778 1.00 1.00 C ATOM 179 O THR A 212 -3.166 -8.353 5.074 1.00 1.00 O ATOM 180 CB THR A 212 -0.975 -6.096 4.499 1.00 1.00 C ATOM 181 OG1 THR A 212 -1.518 -4.913 5.073 1.00 1.00 O ATOM 182 CG2 THR A 212 -1.745 -6.449 3.225 1.00 1.00 C ATOM 0 H THR A 212 -0.737 -8.607 3.895 1.00 1.00 H new ATOM 0 HA THR A 212 -0.634 -6.996 6.459 1.00 1.00 H new ATOM 0 HB THR A 212 0.074 -5.931 4.252 1.00 1.00 H new ATOM 0 HG1 THR A 212 -2.151 -4.506 4.446 1.00 1.00 H new ATOM 0 HG21 THR A 212 -1.663 -5.629 2.511 1.00 1.00 H new ATOM 0 HG22 THR A 212 -1.327 -7.355 2.786 1.00 1.00 H new ATOM 0 HG23 THR A 212 -2.795 -6.615 3.468 1.00 1.00 H new ATOM 190 N PRO A 213 -3.078 -6.951 6.801 1.00 1.00 N ATOM 191 CA PRO A 213 -4.493 -7.169 7.190 1.00 1.00 C ATOM 192 C PRO A 213 -5.435 -6.474 6.202 1.00 1.00 C ATOM 193 O PRO A 213 -5.534 -5.263 6.172 1.00 1.00 O ATOM 194 CB PRO A 213 -4.586 -6.522 8.569 1.00 1.00 C ATOM 195 CG PRO A 213 -3.496 -5.500 8.594 1.00 1.00 C ATOM 196 CD PRO A 213 -2.401 -5.999 7.686 1.00 1.00 C ATOM 0 HA PRO A 213 -4.778 -8.221 7.194 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -5.562 -6.061 8.723 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -4.453 -7.260 9.360 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -3.867 -4.533 8.255 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -3.122 -5.360 9.608 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -1.948 -5.184 7.122 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -1.602 -6.479 8.251 1.00 1.00 H new ATOM 204 N LEU A 214 -6.131 -7.229 5.396 1.00 1.00 N ATOM 205 CA LEU A 214 -7.067 -6.606 4.413 1.00 1.00 C ATOM 206 C LEU A 214 -6.306 -5.645 3.494 1.00 1.00 C ATOM 207 O LEU A 214 -5.758 -4.653 3.932 1.00 1.00 O ATOM 208 CB LEU A 214 -8.084 -5.845 5.265 1.00 1.00 C ATOM 209 CG LEU A 214 -9.383 -5.672 4.476 1.00 1.00 C ATOM 210 CD1 LEU A 214 -10.546 -6.281 5.262 1.00 1.00 C ATOM 211 CD2 LEU A 214 -9.648 -4.181 4.254 1.00 1.00 C ATOM 0 H LEU A 214 -6.093 -8.248 5.374 1.00 1.00 H new ATOM 0 HA LEU A 214 -7.546 -7.345 3.770 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -8.278 -6.388 6.190 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -7.683 -4.871 5.545 1.00 1.00 H new ATOM 0 HG LEU A 214 -9.292 -6.176 3.514 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -11.471 -6.157 4.698 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -10.359 -7.343 5.424 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -10.638 -5.778 6.225 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -10.573 -4.056 3.692 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -9.738 -3.680 5.218 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -8.821 -3.744 3.694 1.00 1.00 H new ATOM 223 N TRP A 215 -6.268 -5.933 2.221 1.00 1.00 N ATOM 224 CA TRP A 215 -5.541 -5.039 1.274 1.00 1.00 C ATOM 225 C TRP A 215 -6.356 -3.772 0.999 1.00 1.00 C ATOM 226 O TRP A 215 -5.997 -2.689 1.416 1.00 1.00 O ATOM 227 CB TRP A 215 -5.390 -5.861 -0.005 1.00 1.00 C ATOM 228 CG TRP A 215 -4.354 -6.919 0.198 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.567 -8.106 0.813 1.00 1.00 C ATOM 230 CD2 TRP A 215 -2.954 -6.911 -0.203 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.385 -8.826 0.814 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.362 -8.131 0.200 1.00 1.00 C ATOM 233 CE3 TRP A 215 -2.145 -5.971 -0.870 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -1.019 -8.412 -0.051 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -0.792 -6.249 -1.122 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.230 -7.468 -0.714 1.00 1.00 C ATOM 0 H TRP A 215 -6.709 -6.749 1.796 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.580 -4.715 1.673 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.343 -6.318 -0.270 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -5.105 -5.213 -0.834 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.505 -8.437 1.234 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.282 -9.757 1.219 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.568 -5.030 -1.190 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -0.592 -9.352 0.265 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.180 -5.520 -1.633 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.811 -7.677 -0.912 1.00 1.00 H new ATOM 247 N ARG A 216 -7.447 -3.899 0.293 1.00 1.00 N ATOM 248 CA ARG A 216 -8.282 -2.702 -0.016 1.00 1.00 C ATOM 249 C ARG A 216 -7.496 -1.727 -0.896 1.00 1.00 C ATOM 250 O ARG A 216 -6.397 -1.328 -0.568 1.00 1.00 O ATOM 251 CB ARG A 216 -8.598 -2.072 1.342 1.00 1.00 C ATOM 252 CG ARG A 216 -10.075 -2.293 1.673 1.00 1.00 C ATOM 253 CD ARG A 216 -10.938 -1.420 0.760 1.00 1.00 C ATOM 254 NE ARG A 216 -12.029 -0.910 1.636 1.00 1.00 N ATOM 255 CZ ARG A 216 -13.274 -1.040 1.269 1.00 1.00 C ATOM 256 NH1 ARG A 216 -13.818 -0.148 0.485 1.00 1.00 N ATOM 257 NH2 ARG A 216 -13.975 -2.057 1.685 1.00 1.00 N ATOM 0 H ARG A 216 -7.797 -4.780 -0.083 1.00 1.00 H new ATOM 0 HA ARG A 216 -9.190 -2.960 -0.561 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -7.970 -2.515 2.116 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -8.374 -1.005 1.321 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -10.335 -3.343 1.542 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -10.266 -2.046 2.717 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -10.359 -0.601 0.333 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -11.338 -1.996 -0.074 1.00 1.00 H new ATOM 0 HE ARG A 216 -11.803 -0.459 2.523 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -13.269 0.648 0.161 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -14.791 -0.248 0.197 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -13.550 -2.753 2.298 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -14.948 -2.157 1.397 1.00 1.00 H new ATOM 271 N ARG A 217 -8.048 -1.348 -2.016 1.00 1.00 N ATOM 272 CA ARG A 217 -7.331 -0.408 -2.924 1.00 1.00 C ATOM 273 C ARG A 217 -7.714 1.043 -2.611 1.00 1.00 C ATOM 274 O ARG A 217 -8.646 1.306 -1.879 1.00 1.00 O ATOM 275 CB ARG A 217 -7.798 -0.791 -4.325 1.00 1.00 C ATOM 276 CG ARG A 217 -7.624 -2.298 -4.532 1.00 1.00 C ATOM 277 CD ARG A 217 -8.891 -2.877 -5.165 1.00 1.00 C ATOM 278 NE ARG A 217 -8.911 -2.337 -6.553 1.00 1.00 N ATOM 279 CZ ARG A 217 -10.041 -1.975 -7.096 1.00 1.00 C ATOM 280 NH1 ARG A 217 -10.853 -1.187 -6.447 1.00 1.00 N ATOM 281 NH2 ARG A 217 -10.358 -2.401 -8.288 1.00 1.00 N ATOM 0 H ARG A 217 -8.966 -1.649 -2.342 1.00 1.00 H new ATOM 0 HA ARG A 217 -6.249 -0.476 -2.814 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -8.844 -0.514 -4.459 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.225 -0.243 -5.073 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -6.764 -2.491 -5.173 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -7.426 -2.786 -3.578 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -8.869 -3.967 -5.166 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -9.781 -2.577 -4.612 1.00 1.00 H new ATOM 0 HE ARG A 217 -8.041 -2.250 -7.079 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -10.605 -0.854 -5.515 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -11.736 -0.904 -6.871 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -9.723 -3.017 -8.795 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -11.241 -2.118 -8.713 1.00 1.00 H new ATOM 295 N ASP A 218 -6.999 1.984 -3.165 1.00 1.00 N ATOM 296 CA ASP A 218 -7.309 3.414 -2.910 1.00 1.00 C ATOM 297 C ASP A 218 -7.870 4.068 -4.180 1.00 1.00 C ATOM 298 O ASP A 218 -8.713 3.509 -4.854 1.00 1.00 O ATOM 299 CB ASP A 218 -5.965 4.028 -2.529 1.00 1.00 C ATOM 300 CG ASP A 218 -4.973 3.838 -3.678 1.00 1.00 C ATOM 301 OD1 ASP A 218 -4.710 2.698 -4.025 1.00 1.00 O ATOM 302 OD2 ASP A 218 -4.495 4.835 -4.192 1.00 1.00 O ATOM 0 H ASP A 218 -6.208 1.819 -3.788 1.00 1.00 H new ATOM 0 HA ASP A 218 -8.060 3.553 -2.132 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -6.087 5.089 -2.311 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -5.582 3.558 -1.623 1.00 1.00 H new ATOM 307 N ARG A 219 -7.412 5.247 -4.513 1.00 1.00 N ATOM 308 CA ARG A 219 -7.923 5.928 -5.736 1.00 1.00 C ATOM 309 C ARG A 219 -7.237 5.361 -6.974 1.00 1.00 C ATOM 310 O ARG A 219 -7.784 5.367 -8.059 1.00 1.00 O ATOM 311 CB ARG A 219 -7.565 7.412 -5.584 1.00 1.00 C ATOM 312 CG ARG A 219 -7.609 7.821 -4.112 1.00 1.00 C ATOM 313 CD ARG A 219 -8.244 9.206 -3.982 1.00 1.00 C ATOM 314 NE ARG A 219 -8.370 9.438 -2.517 1.00 1.00 N ATOM 315 CZ ARG A 219 -8.153 10.628 -2.026 1.00 1.00 C ATOM 316 NH1 ARG A 219 -8.558 11.685 -2.673 1.00 1.00 N ATOM 317 NH2 ARG A 219 -7.531 10.760 -0.886 1.00 1.00 N ATOM 0 H ARG A 219 -6.707 5.766 -3.990 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.997 5.783 -5.849 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -6.570 7.596 -5.990 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -8.262 8.022 -6.159 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -8.182 7.092 -3.539 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -6.601 7.832 -3.697 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -7.623 9.970 -4.450 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -9.217 9.241 -4.472 1.00 1.00 H new ATOM 0 HE ARG A 219 -8.625 8.669 -1.898 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -9.045 11.582 -3.563 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -8.388 12.614 -2.289 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -7.215 9.933 -0.379 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -7.361 11.690 -0.502 1.00 1.00 H new ATOM 331 N THR A 220 -6.033 4.883 -6.824 1.00 1.00 N ATOM 332 CA THR A 220 -5.310 4.331 -7.999 1.00 1.00 C ATOM 333 C THR A 220 -5.617 2.840 -8.160 1.00 1.00 C ATOM 334 O THR A 220 -5.195 2.208 -9.107 1.00 1.00 O ATOM 335 CB THR A 220 -3.828 4.546 -7.692 1.00 1.00 C ATOM 336 OG1 THR A 220 -3.487 3.852 -6.498 1.00 1.00 O ATOM 337 CG2 THR A 220 -3.554 6.040 -7.512 1.00 1.00 C ATOM 0 H THR A 220 -5.522 4.851 -5.942 1.00 1.00 H new ATOM 0 HA THR A 220 -5.606 4.816 -8.929 1.00 1.00 H new ATOM 0 HB THR A 220 -3.227 4.166 -8.518 1.00 1.00 H new ATOM 0 HG1 THR A 220 -3.782 4.372 -5.722 1.00 1.00 H new ATOM 0 HG21 THR A 220 -2.497 6.192 -7.293 1.00 1.00 H new ATOM 0 HG22 THR A 220 -3.815 6.571 -8.428 1.00 1.00 H new ATOM 0 HG23 THR A 220 -4.154 6.423 -6.687 1.00 1.00 H new ATOM 345 N GLY A 221 -6.355 2.276 -7.244 1.00 1.00 N ATOM 346 CA GLY A 221 -6.697 0.834 -7.348 1.00 1.00 C ATOM 347 C GLY A 221 -5.477 -0.021 -7.000 1.00 1.00 C ATOM 348 O GLY A 221 -5.456 -1.212 -7.240 1.00 1.00 O ATOM 0 H GLY A 221 -6.735 2.754 -6.427 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.521 0.598 -6.674 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -7.036 0.604 -8.358 1.00 1.00 H new ATOM 352 N HIS A 222 -4.459 0.568 -6.431 1.00 1.00 N ATOM 353 CA HIS A 222 -3.251 -0.230 -6.071 1.00 1.00 C ATOM 354 C HIS A 222 -3.572 -1.140 -4.880 1.00 1.00 C ATOM 355 O HIS A 222 -4.702 -1.224 -4.444 1.00 1.00 O ATOM 356 CB HIS A 222 -2.179 0.794 -5.698 1.00 1.00 C ATOM 357 CG HIS A 222 -1.690 1.490 -6.940 1.00 1.00 C ATOM 358 ND1 HIS A 222 -2.475 1.619 -8.078 1.00 1.00 N ATOM 359 CD2 HIS A 222 -0.498 2.105 -7.238 1.00 1.00 C ATOM 360 CE1 HIS A 222 -1.750 2.285 -8.997 1.00 1.00 C ATOM 361 NE2 HIS A 222 -0.539 2.605 -8.535 1.00 1.00 N ATOM 0 H HIS A 222 -4.411 1.561 -6.201 1.00 1.00 H new ATOM 0 HA HIS A 222 -2.918 -0.870 -6.888 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.586 1.523 -4.997 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.348 0.299 -5.196 1.00 1.00 H new ATOM 0 HD2 HIS A 222 0.344 2.188 -6.566 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -2.105 2.530 -9.987 1.00 1.00 H new ATOM 0 HE2 HIS A 222 0.198 3.109 -9.028 1.00 1.00 H new ATOM 369 N TYR A 223 -2.594 -1.828 -4.355 1.00 1.00 N ATOM 370 CA TYR A 223 -2.867 -2.732 -3.203 1.00 1.00 C ATOM 371 C TYR A 223 -1.831 -2.524 -2.093 1.00 1.00 C ATOM 372 O TYR A 223 -1.200 -3.458 -1.643 1.00 1.00 O ATOM 373 CB TYR A 223 -2.748 -4.138 -3.784 1.00 1.00 C ATOM 374 CG TYR A 223 -4.095 -4.590 -4.298 1.00 1.00 C ATOM 375 CD1 TYR A 223 -5.227 -4.477 -3.483 1.00 1.00 C ATOM 376 CD2 TYR A 223 -4.209 -5.121 -5.589 1.00 1.00 C ATOM 377 CE1 TYR A 223 -6.476 -4.896 -3.959 1.00 1.00 C ATOM 378 CE2 TYR A 223 -5.458 -5.538 -6.064 1.00 1.00 C ATOM 379 CZ TYR A 223 -6.590 -5.427 -5.250 1.00 1.00 C ATOM 380 OH TYR A 223 -7.821 -5.838 -5.719 1.00 1.00 O ATOM 0 H TYR A 223 -1.625 -1.803 -4.672 1.00 1.00 H new ATOM 0 HA TYR A 223 -3.843 -2.546 -2.755 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.017 -4.148 -4.593 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -2.388 -4.828 -3.021 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -5.138 -4.067 -2.488 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -3.335 -5.209 -6.217 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -7.350 -4.810 -3.331 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -5.548 -5.946 -7.060 1.00 1.00 H new ATOM 0 HH TYR A 223 -7.726 -6.180 -6.632 1.00 1.00 H new ATOM 390 N LEU A 224 -1.656 -1.313 -1.640 1.00 1.00 N ATOM 391 CA LEU A 224 -0.663 -1.068 -0.556 1.00 1.00 C ATOM 392 C LEU A 224 -0.908 -2.040 0.602 1.00 1.00 C ATOM 393 O LEU A 224 -1.944 -2.671 0.685 1.00 1.00 O ATOM 394 CB LEU A 224 -0.902 0.374 -0.103 1.00 1.00 C ATOM 395 CG LEU A 224 0.285 1.247 -0.512 1.00 1.00 C ATOM 396 CD1 LEU A 224 0.273 1.442 -2.028 1.00 1.00 C ATOM 397 CD2 LEU A 224 0.175 2.609 0.176 1.00 1.00 C ATOM 0 H LEU A 224 -2.154 -0.487 -1.971 1.00 1.00 H new ATOM 0 HA LEU A 224 0.362 -1.218 -0.895 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -1.819 0.758 -0.550 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -1.035 0.408 0.978 1.00 1.00 H new ATOM 0 HG LEU A 224 1.214 0.762 -0.214 1.00 1.00 H new ATOM 0 HD11 LEU A 224 1.118 2.064 -2.322 1.00 1.00 H new ATOM 0 HD12 LEU A 224 0.348 0.472 -2.520 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -0.656 1.929 -2.325 1.00 1.00 H new ATOM 0 HD21 LEU A 224 1.020 3.233 -0.114 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -0.754 3.094 -0.124 1.00 1.00 H new ATOM 0 HD23 LEU A 224 0.180 2.472 1.257 1.00 1.00 H new ATOM 409 N CYS A 225 0.033 -2.166 1.493 1.00 1.00 N ATOM 410 CA CYS A 225 -0.144 -3.096 2.644 1.00 1.00 C ATOM 411 C CYS A 225 -0.503 -2.307 3.907 1.00 1.00 C ATOM 412 O CYS A 225 -0.072 -2.631 4.995 1.00 1.00 O ATOM 413 CB CYS A 225 1.213 -3.780 2.805 1.00 1.00 C ATOM 414 SG CYS A 225 2.426 -2.574 3.400 1.00 1.00 S ATOM 0 H CYS A 225 0.921 -1.664 1.475 1.00 1.00 H new ATOM 0 HA CYS A 225 -0.947 -3.815 2.480 1.00 1.00 H new ATOM 0 HB2 CYS A 225 1.134 -4.610 3.507 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.537 -4.199 1.852 1.00 1.00 H new ATOM 0 HG CYS A 225 3.566 -2.778 2.810 1.00 1.00 H new ATOM 419 N ASN A 226 -1.288 -1.273 3.769 1.00 1.00 N ATOM 420 CA ASN A 226 -1.674 -0.459 4.958 1.00 1.00 C ATOM 421 C ASN A 226 -0.461 0.308 5.489 1.00 1.00 C ATOM 422 O ASN A 226 -0.473 1.521 5.581 1.00 1.00 O ATOM 423 CB ASN A 226 -2.165 -1.471 5.996 1.00 1.00 C ATOM 424 CG ASN A 226 -3.245 -0.824 6.865 1.00 1.00 C ATOM 425 OD1 ASN A 226 -3.894 0.115 6.451 1.00 1.00 O ATOM 426 ND2 ASN A 226 -3.466 -1.292 8.063 1.00 1.00 N ATOM 0 H ASN A 226 -1.680 -0.956 2.882 1.00 1.00 H new ATOM 0 HA ASN A 226 -2.439 0.280 4.719 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -2.564 -2.355 5.498 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -1.334 -1.804 6.617 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -4.184 -0.869 8.651 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -2.921 -2.081 8.411 1.00 1.00 H new ATOM 433 N ALA A 227 0.586 -0.386 5.840 1.00 1.00 N ATOM 434 CA ALA A 227 1.800 0.307 6.364 1.00 1.00 C ATOM 435 C ALA A 227 2.303 1.336 5.351 1.00 1.00 C ATOM 436 O ALA A 227 2.825 2.373 5.711 1.00 1.00 O ATOM 437 CB ALA A 227 2.836 -0.801 6.561 1.00 1.00 C ATOM 0 H ALA A 227 0.655 -1.402 5.787 1.00 1.00 H new ATOM 0 HA ALA A 227 1.598 0.846 7.289 1.00 1.00 H new ATOM 0 HB1 ALA A 227 3.761 -0.370 6.946 1.00 1.00 H new ATOM 0 HB2 ALA A 227 2.454 -1.534 7.271 1.00 1.00 H new ATOM 0 HB3 ALA A 227 3.033 -1.289 5.606 1.00 1.00 H new ATOM 443 N CYS A 228 2.150 1.057 4.087 1.00 1.00 N ATOM 444 CA CYS A 228 2.622 2.018 3.047 1.00 1.00 C ATOM 445 C CYS A 228 1.606 3.149 2.862 1.00 1.00 C ATOM 446 O CYS A 228 1.950 4.247 2.470 1.00 1.00 O ATOM 447 CB CYS A 228 2.741 1.192 1.773 1.00 1.00 C ATOM 448 SG CYS A 228 4.293 0.256 1.798 1.00 1.00 S ATOM 0 H CYS A 228 1.719 0.206 3.727 1.00 1.00 H new ATOM 0 HA CYS A 228 3.567 2.487 3.320 1.00 1.00 H new ATOM 0 HB2 CYS A 228 1.895 0.510 1.689 1.00 1.00 H new ATOM 0 HB3 CYS A 228 2.712 1.845 0.900 1.00 1.00 H new ATOM 0 HG CYS A 228 4.087 -0.912 2.330 1.00 1.00 H new ATOM 453 N GLY A 229 0.356 2.890 3.137 1.00 1.00 N ATOM 454 CA GLY A 229 -0.679 3.950 2.974 1.00 1.00 C ATOM 455 C GLY A 229 -0.692 4.851 4.210 1.00 1.00 C ATOM 456 O GLY A 229 -1.149 5.976 4.165 1.00 1.00 O ATOM 0 H GLY A 229 0.007 1.990 3.467 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -0.470 4.542 2.083 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -1.660 3.496 2.833 1.00 1.00 H new ATOM 460 N LEU A 230 -0.193 4.365 5.314 1.00 1.00 N ATOM 461 CA LEU A 230 -0.177 5.194 6.554 1.00 1.00 C ATOM 462 C LEU A 230 0.243 6.630 6.226 1.00 1.00 C ATOM 463 O LEU A 230 -0.472 7.574 6.501 1.00 1.00 O ATOM 464 CB LEU A 230 0.858 4.528 7.455 1.00 1.00 C ATOM 465 CG LEU A 230 0.208 4.136 8.781 1.00 1.00 C ATOM 466 CD1 LEU A 230 1.275 3.588 9.731 1.00 1.00 C ATOM 467 CD2 LEU A 230 -0.450 5.366 9.410 1.00 1.00 C ATOM 0 H LEU A 230 0.204 3.431 5.411 1.00 1.00 H new ATOM 0 HA LEU A 230 -1.157 5.251 7.027 1.00 1.00 H new ATOM 0 HB2 LEU A 230 1.268 3.645 6.964 1.00 1.00 H new ATOM 0 HB3 LEU A 230 1.691 5.208 7.634 1.00 1.00 H new ATOM 0 HG LEU A 230 -0.547 3.371 8.602 1.00 1.00 H new ATOM 0 HD11 LEU A 230 0.811 3.308 10.677 1.00 1.00 H new ATOM 0 HD12 LEU A 230 1.745 2.712 9.284 1.00 1.00 H new ATOM 0 HD13 LEU A 230 2.031 4.353 9.910 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -0.914 5.087 10.356 1.00 1.00 H new ATOM 0 HD22 LEU A 230 0.305 6.132 9.588 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -1.211 5.757 8.734 1.00 1.00 H new ATOM 479 N TYR A 231 1.396 6.800 5.641 1.00 1.00 N ATOM 480 CA TYR A 231 1.866 8.172 5.294 1.00 1.00 C ATOM 481 C TYR A 231 0.804 8.901 4.463 1.00 1.00 C ATOM 482 O TYR A 231 0.439 10.022 4.751 1.00 1.00 O ATOM 483 CB TYR A 231 3.135 7.955 4.470 1.00 1.00 C ATOM 484 CG TYR A 231 4.050 9.148 4.619 1.00 1.00 C ATOM 485 CD1 TYR A 231 3.937 10.231 3.738 1.00 1.00 C ATOM 486 CD2 TYR A 231 5.013 9.170 5.634 1.00 1.00 C ATOM 487 CE1 TYR A 231 4.787 11.335 3.873 1.00 1.00 C ATOM 488 CE2 TYR A 231 5.863 10.274 5.769 1.00 1.00 C ATOM 489 CZ TYR A 231 5.751 11.356 4.889 1.00 1.00 C ATOM 490 OH TYR A 231 6.589 12.444 5.022 1.00 1.00 O ATOM 0 H TYR A 231 2.035 6.047 5.387 1.00 1.00 H new ATOM 0 HA TYR A 231 2.051 8.783 6.178 1.00 1.00 H new ATOM 0 HB2 TYR A 231 3.645 7.050 4.801 1.00 1.00 H new ATOM 0 HB3 TYR A 231 2.878 7.810 3.421 1.00 1.00 H new ATOM 0 HD1 TYR A 231 3.194 10.214 2.954 1.00 1.00 H new ATOM 0 HD2 TYR A 231 5.100 8.335 6.313 1.00 1.00 H new ATOM 0 HE1 TYR A 231 4.700 12.170 3.194 1.00 1.00 H new ATOM 0 HE2 TYR A 231 6.606 10.291 6.553 1.00 1.00 H new ATOM 0 HH TYR A 231 6.105 13.179 5.453 1.00 1.00 H new ATOM 500 N HIS A 232 0.310 8.270 3.432 1.00 1.00 N ATOM 501 CA HIS A 232 -0.721 8.922 2.579 1.00 1.00 C ATOM 502 C HIS A 232 -1.973 9.245 3.402 1.00 1.00 C ATOM 503 O HIS A 232 -2.786 10.061 3.016 1.00 1.00 O ATOM 504 CB HIS A 232 -1.046 7.891 1.497 1.00 1.00 C ATOM 505 CG HIS A 232 -1.602 8.590 0.287 1.00 1.00 C ATOM 506 ND1 HIS A 232 -1.053 9.503 -0.578 1.00 1.00 N flip ATOM 507 CD2 HIS A 232 -2.896 8.375 -0.162 1.00 1.00 C flip ATOM 508 CE1 HIS A 232 -1.986 9.850 -1.550 1.00 1.00 C flip ATOM 509 NE2 HIS A 232 -3.080 9.141 -1.252 1.00 1.00 N flip ATOM 0 H HIS A 232 0.578 7.329 3.144 1.00 1.00 H new ATOM 0 HA HIS A 232 -0.369 9.864 2.158 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -0.148 7.335 1.228 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -1.768 7.167 1.875 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -0.104 9.872 -0.517 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -3.624 7.713 0.283 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -1.855 10.542 -2.368 1.00 1.00 H new ATOM 517 N LYS A 233 -2.136 8.612 4.531 1.00 1.00 N ATOM 518 CA LYS A 233 -3.339 8.886 5.371 1.00 1.00 C ATOM 519 C LYS A 233 -3.144 10.169 6.182 1.00 1.00 C ATOM 520 O LYS A 233 -3.996 11.035 6.208 1.00 1.00 O ATOM 521 CB LYS A 233 -3.457 7.680 6.301 1.00 1.00 C ATOM 522 CG LYS A 233 -3.424 6.392 5.478 1.00 1.00 C ATOM 523 CD LYS A 233 -4.685 5.571 5.763 1.00 1.00 C ATOM 524 CE LYS A 233 -4.559 4.905 7.136 1.00 1.00 C ATOM 525 NZ LYS A 233 -5.742 5.384 7.906 1.00 1.00 N ATOM 0 H LYS A 233 -1.491 7.918 4.909 1.00 1.00 H new ATOM 0 HA LYS A 233 -4.236 9.027 4.768 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -2.640 7.683 7.023 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -4.385 7.736 6.870 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -3.363 6.628 4.416 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -2.535 5.812 5.727 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -5.564 6.214 5.738 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -4.822 4.814 4.991 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -4.558 3.818 7.049 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -3.628 5.186 7.627 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -5.726 4.970 8.860 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -5.713 6.421 7.978 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -6.614 5.096 7.418 1.00 1.00 H new ATOM 539 N MET A 234 -2.031 10.297 6.851 1.00 1.00 N ATOM 540 CA MET A 234 -1.786 11.522 7.666 1.00 1.00 C ATOM 541 C MET A 234 -1.110 12.603 6.821 1.00 1.00 C ATOM 542 O MET A 234 -1.634 13.684 6.640 1.00 1.00 O ATOM 543 CB MET A 234 -0.862 11.066 8.795 1.00 1.00 C ATOM 544 CG MET A 234 -1.692 10.412 9.901 1.00 1.00 C ATOM 545 SD MET A 234 -1.153 11.040 11.511 1.00 1.00 S ATOM 546 CE MET A 234 0.485 10.271 11.517 1.00 1.00 C ATOM 0 H MET A 234 -1.280 9.607 6.869 1.00 1.00 H new ATOM 0 HA MET A 234 -2.712 11.955 8.044 1.00 1.00 H new ATOM 0 HB2 MET A 234 -0.125 10.360 8.413 1.00 1.00 H new ATOM 0 HB3 MET A 234 -0.311 11.917 9.194 1.00 1.00 H new ATOM 0 HG2 MET A 234 -2.750 10.626 9.751 1.00 1.00 H new ATOM 0 HG3 MET A 234 -1.577 9.329 9.864 1.00 1.00 H new ATOM 0 HE1 MET A 234 0.905 10.317 12.522 1.00 1.00 H new ATOM 0 HE2 MET A 234 0.399 9.230 11.207 1.00 1.00 H new ATOM 0 HE3 MET A 234 1.139 10.803 10.826 1.00 1.00 H new ATOM 556 N ASN A 235 0.053 12.320 6.309 1.00 1.00 N ATOM 557 CA ASN A 235 0.771 13.331 5.480 1.00 1.00 C ATOM 558 C ASN A 235 0.070 13.513 4.133 1.00 1.00 C ATOM 559 O ASN A 235 0.053 14.591 3.572 1.00 1.00 O ATOM 560 CB ASN A 235 2.174 12.757 5.283 1.00 1.00 C ATOM 561 CG ASN A 235 3.083 13.224 6.422 1.00 1.00 C ATOM 562 OD1 ASN A 235 4.262 13.709 6.143 1.00 1.00 O flip ATOM 563 ND2 ASN A 235 2.715 13.149 7.577 1.00 1.00 N flip ATOM 0 H ASN A 235 0.540 11.432 6.428 1.00 1.00 H new ATOM 0 HA ASN A 235 0.794 14.311 5.956 1.00 1.00 H new ATOM 0 HB2 ASN A 235 2.133 11.668 5.260 1.00 1.00 H new ATOM 0 HB3 ASN A 235 2.579 13.081 4.324 1.00 1.00 H new ATOM 0 HD21 ASN A 235 1.793 12.770 7.795 1.00 1.00 H new ATOM 0 HD22 ASN A 235 3.327 13.465 8.329 1.00 1.00 H new ATOM 570 N GLY A 236 -0.505 12.469 3.608 1.00 1.00 N ATOM 571 CA GLY A 236 -1.201 12.579 2.299 1.00 1.00 C ATOM 572 C GLY A 236 -0.205 12.341 1.161 1.00 1.00 C ATOM 573 O GLY A 236 -0.574 11.946 0.073 1.00 1.00 O ATOM 0 H GLY A 236 -0.523 11.541 4.031 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -2.010 11.851 2.245 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -1.653 13.566 2.199 1.00 1.00 H new ATOM 577 N GLN A 237 1.057 12.579 1.401 1.00 1.00 N ATOM 578 CA GLN A 237 2.073 12.366 0.332 1.00 1.00 C ATOM 579 C GLN A 237 2.425 10.880 0.226 1.00 1.00 C ATOM 580 O GLN A 237 1.729 10.029 0.745 1.00 1.00 O ATOM 581 CB GLN A 237 3.292 13.173 0.780 1.00 1.00 C ATOM 582 CG GLN A 237 2.994 14.667 0.643 1.00 1.00 C ATOM 583 CD GLN A 237 3.600 15.192 -0.661 1.00 1.00 C ATOM 584 OE1 GLN A 237 4.803 15.298 -0.786 1.00 1.00 O ATOM 585 NE2 GLN A 237 2.809 15.525 -1.644 1.00 1.00 N ATOM 0 H GLN A 237 1.427 12.912 2.291 1.00 1.00 H new ATOM 0 HA GLN A 237 1.713 12.678 -0.648 1.00 1.00 H new ATOM 0 HB2 GLN A 237 3.539 12.934 1.814 1.00 1.00 H new ATOM 0 HB3 GLN A 237 4.159 12.907 0.175 1.00 1.00 H new ATOM 0 HG2 GLN A 237 1.917 14.836 0.650 1.00 1.00 H new ATOM 0 HG3 GLN A 237 3.407 15.210 1.493 1.00 1.00 H new ATOM 0 HE21 GLN A 237 1.798 15.436 -1.538 1.00 1.00 H new ATOM 0 HE22 GLN A 237 3.201 15.875 -2.518 1.00 1.00 H new ATOM 594 N ASN A 238 3.501 10.561 -0.440 1.00 1.00 N ATOM 595 CA ASN A 238 3.897 9.130 -0.578 1.00 1.00 C ATOM 596 C ASN A 238 5.003 8.792 0.426 1.00 1.00 C ATOM 597 O ASN A 238 5.498 9.648 1.132 1.00 1.00 O ATOM 598 CB ASN A 238 4.412 9.000 -2.010 1.00 1.00 C ATOM 599 CG ASN A 238 3.229 8.851 -2.967 1.00 1.00 C ATOM 600 OD1 ASN A 238 2.507 7.875 -2.913 1.00 1.00 O ATOM 601 ND2 ASN A 238 2.997 9.786 -3.849 1.00 1.00 N ATOM 0 H ASN A 238 4.123 11.229 -0.895 1.00 1.00 H new ATOM 0 HA ASN A 238 3.070 8.448 -0.381 1.00 1.00 H new ATOM 0 HB2 ASN A 238 5.001 9.878 -2.277 1.00 1.00 H new ATOM 0 HB3 ASN A 238 5.072 8.136 -2.093 1.00 1.00 H new ATOM 0 HD21 ASN A 238 2.210 9.697 -4.492 1.00 1.00 H new ATOM 0 HD22 ASN A 238 3.603 10.605 -3.895 1.00 1.00 H new ATOM 608 N ARG A 239 5.392 7.548 0.495 1.00 1.00 N ATOM 609 CA ARG A 239 6.465 7.156 1.455 1.00 1.00 C ATOM 610 C ARG A 239 7.683 6.625 0.694 1.00 1.00 C ATOM 611 O ARG A 239 7.544 5.953 -0.308 1.00 1.00 O ATOM 612 CB ARG A 239 5.845 6.053 2.313 1.00 1.00 C ATOM 613 CG ARG A 239 6.450 6.093 3.718 1.00 1.00 C ATOM 614 CD ARG A 239 5.551 5.317 4.684 1.00 1.00 C ATOM 615 NE ARG A 239 6.270 4.035 4.934 1.00 1.00 N ATOM 616 CZ ARG A 239 7.113 3.941 5.925 1.00 1.00 C ATOM 617 NH1 ARG A 239 6.684 4.011 7.156 1.00 1.00 N ATOM 618 NH2 ARG A 239 8.385 3.777 5.685 1.00 1.00 N ATOM 0 H ARG A 239 5.015 6.787 -0.070 1.00 1.00 H new ATOM 0 HA ARG A 239 6.808 7.996 2.059 1.00 1.00 H new ATOM 0 HB2 ARG A 239 4.764 6.185 2.368 1.00 1.00 H new ATOM 0 HB3 ARG A 239 6.024 5.079 1.857 1.00 1.00 H new ATOM 0 HG2 ARG A 239 7.450 5.659 3.707 1.00 1.00 H new ATOM 0 HG3 ARG A 239 6.554 7.126 4.051 1.00 1.00 H new ATOM 0 HD2 ARG A 239 5.397 5.870 5.610 1.00 1.00 H new ATOM 0 HD3 ARG A 239 4.567 5.140 4.251 1.00 1.00 H new ATOM 0 HE ARG A 239 6.103 3.231 4.330 1.00 1.00 H new ATOM 0 HH11 ARG A 239 5.690 4.139 7.343 1.00 1.00 H new ATOM 0 HH12 ARG A 239 7.343 3.937 7.931 1.00 1.00 H new ATOM 0 HH21 ARG A 239 8.720 3.722 4.723 1.00 1.00 H new ATOM 0 HH22 ARG A 239 9.045 3.703 6.459 1.00 1.00 H new