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 -90:sc= 1.14 USER MOD Set 1.2: A 235 ASN : amide:sc= -0.756 K(o=0.38,f=-3.7) USER MOD Set 2.1: A 220 THR OG1 : rot 144:sc= -1.55! USER MOD Set 2.2: A 222 HIS : no HD1:sc= -5.06! C(o=-6.6!,f=-15!) USER MOD Set 3.1: A 204 CYS SG : rot 154:sc= -3.43! USER MOD Set 3.2: A 207 CYS SG : rot -56:sc= -3.15! USER MOD Set 3.3: A 225 CYS SG : rot -142:sc= 0.266! USER MOD Set 3.4: A 228 CYS SG : rot 102:sc= 0.206 USER MOD Single : A 206 ASN : amide:sc= -7.71! C(o=-7.7!,f=-12!) USER MOD Single : A 210 THR OG1 : rot 180:sc= -0.0304 USER MOD Single : A 212 THR OG1 : rot -119:sc= -3.12! USER MOD Single : A 223 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 ASN :FLIP amide:sc= -0.577! F(o=-1.3,f=-0.58!) USER MOD Single : A 232 HIS :FLIP no HD1:sc= -1.37 F(o=-2.9!,f=-1.4) 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 K(o=0,f=-0.9) USER MOD Single : A 238 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 36 N ALA A 201 -1.278 -14.458 -3.054 1.00 1.00 N ATOM 37 CA ALA A 201 -1.743 -13.274 -2.277 1.00 1.00 C ATOM 38 C ALA A 201 -1.454 -11.987 -3.056 1.00 1.00 C ATOM 39 O ALA A 201 -0.685 -11.979 -3.997 1.00 1.00 O ATOM 40 CB ALA A 201 -0.935 -13.310 -0.979 1.00 1.00 C ATOM 0 HA ALA A 201 -2.816 -13.297 -2.088 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -1.220 -12.467 -0.349 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -1.136 -14.242 -0.451 1.00 1.00 H new ATOM 0 HB3 ALA A 201 0.128 -13.247 -1.210 1.00 1.00 H new ATOM 46 N ARG A 202 -2.064 -10.900 -2.671 1.00 1.00 N ATOM 47 CA ARG A 202 -1.821 -9.615 -3.391 1.00 1.00 C ATOM 48 C ARG A 202 -0.408 -9.103 -3.099 1.00 1.00 C ATOM 49 O ARG A 202 0.293 -9.629 -2.257 1.00 1.00 O ATOM 50 CB ARG A 202 -2.866 -8.649 -2.837 1.00 1.00 C ATOM 51 CG ARG A 202 -3.989 -8.470 -3.860 1.00 1.00 C ATOM 52 CD ARG A 202 -5.323 -8.297 -3.131 1.00 1.00 C ATOM 53 NE ARG A 202 -6.127 -9.488 -3.516 1.00 1.00 N ATOM 54 CZ ARG A 202 -6.994 -9.404 -4.488 1.00 1.00 C ATOM 55 NH1 ARG A 202 -6.622 -8.960 -5.658 1.00 1.00 N ATOM 56 NH2 ARG A 202 -8.233 -9.761 -4.288 1.00 1.00 N ATOM 0 H ARG A 202 -2.719 -10.844 -1.891 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.900 -9.726 -4.472 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -3.271 -9.032 -1.900 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.405 -7.686 -2.615 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -3.789 -7.600 -4.486 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -4.034 -9.335 -4.521 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -5.180 -8.249 -2.051 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -5.819 -7.373 -3.428 1.00 1.00 H new ATOM 0 HE ARG A 202 -6.001 -10.370 -3.020 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -5.654 -8.679 -5.813 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -7.300 -8.894 -6.418 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -8.523 -10.105 -3.373 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -8.911 -9.696 -5.047 1.00 1.00 H new ATOM 70 N GLU A 203 0.014 -8.080 -3.790 1.00 1.00 N ATOM 71 CA GLU A 203 1.381 -7.531 -3.553 1.00 1.00 C ATOM 72 C GLU A 203 1.304 -6.024 -3.300 1.00 1.00 C ATOM 73 O GLU A 203 0.939 -5.257 -4.170 1.00 1.00 O ATOM 74 CB GLU A 203 2.152 -7.821 -4.841 1.00 1.00 C ATOM 75 CG GLU A 203 3.328 -8.749 -4.536 1.00 1.00 C ATOM 76 CD GLU A 203 4.222 -8.864 -5.772 1.00 1.00 C ATOM 77 OE1 GLU A 203 5.077 -8.011 -5.942 1.00 1.00 O ATOM 78 OE2 GLU A 203 4.035 -9.803 -6.529 1.00 1.00 O ATOM 0 H GLU A 203 -0.528 -7.600 -4.509 1.00 1.00 H new ATOM 0 HA GLU A 203 1.862 -7.976 -2.682 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.492 -8.283 -5.576 1.00 1.00 H new ATOM 0 HB3 GLU A 203 2.514 -6.890 -5.278 1.00 1.00 H new ATOM 0 HG2 GLU A 203 3.902 -8.362 -3.694 1.00 1.00 H new ATOM 0 HG3 GLU A 203 2.962 -9.734 -4.246 1.00 1.00 H new ATOM 85 N CYS A 204 1.645 -5.590 -2.118 1.00 1.00 N ATOM 86 CA CYS A 204 1.588 -4.137 -1.813 1.00 1.00 C ATOM 87 C CYS A 204 2.314 -3.337 -2.895 1.00 1.00 C ATOM 88 O CYS A 204 3.522 -3.396 -3.018 1.00 1.00 O ATOM 89 CB CYS A 204 2.306 -3.986 -0.478 1.00 1.00 C ATOM 90 SG CYS A 204 2.129 -2.287 0.108 1.00 1.00 S ATOM 0 H CYS A 204 1.961 -6.182 -1.350 1.00 1.00 H new ATOM 0 HA CYS A 204 0.563 -3.767 -1.775 1.00 1.00 H new ATOM 0 HB2 CYS A 204 1.889 -4.680 0.252 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.361 -4.236 -0.589 1.00 1.00 H new ATOM 0 HG CYS A 204 2.219 -2.264 1.405 1.00 1.00 H new ATOM 95 N VAL A 205 1.591 -2.582 -3.668 1.00 1.00 N ATOM 96 CA VAL A 205 2.243 -1.768 -4.730 1.00 1.00 C ATOM 97 C VAL A 205 3.392 -0.947 -4.134 1.00 1.00 C ATOM 98 O VAL A 205 4.257 -0.470 -4.841 1.00 1.00 O ATOM 99 CB VAL A 205 1.137 -0.849 -5.253 1.00 1.00 C ATOM 100 CG1 VAL A 205 0.608 0.019 -4.110 1.00 1.00 C ATOM 101 CG2 VAL A 205 1.699 0.050 -6.355 1.00 1.00 C ATOM 0 H VAL A 205 0.577 -2.492 -3.612 1.00 1.00 H new ATOM 0 HA VAL A 205 2.671 -2.382 -5.522 1.00 1.00 H new ATOM 0 HB VAL A 205 0.325 -1.454 -5.655 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -0.180 0.673 -4.484 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.206 -0.620 -3.324 1.00 1.00 H new ATOM 0 HG13 VAL A 205 1.420 0.624 -3.706 1.00 1.00 H new ATOM 0 HG21 VAL A 205 0.911 0.705 -6.728 1.00 1.00 H new ATOM 0 HG22 VAL A 205 2.512 0.654 -5.953 1.00 1.00 H new ATOM 0 HG23 VAL A 205 2.075 -0.567 -7.171 1.00 1.00 H new ATOM 111 N ASN A 206 3.398 -0.764 -2.840 1.00 1.00 N ATOM 112 CA ASN A 206 4.479 0.041 -2.204 1.00 1.00 C ATOM 113 C ASN A 206 5.650 -0.837 -1.743 1.00 1.00 C ATOM 114 O ASN A 206 6.775 -0.635 -2.154 1.00 1.00 O ATOM 115 CB ASN A 206 3.813 0.706 -1.000 1.00 1.00 C ATOM 116 CG ASN A 206 3.006 1.914 -1.469 1.00 1.00 C ATOM 117 OD1 ASN A 206 2.569 1.967 -2.602 1.00 1.00 O ATOM 118 ND2 ASN A 206 2.787 2.898 -0.641 1.00 1.00 N ATOM 0 H ASN A 206 2.700 -1.138 -2.197 1.00 1.00 H new ATOM 0 HA ASN A 206 4.901 0.760 -2.906 1.00 1.00 H new ATOM 0 HB2 ASN A 206 3.162 -0.005 -0.492 1.00 1.00 H new ATOM 0 HB3 ASN A 206 4.569 1.017 -0.279 1.00 1.00 H new ATOM 0 HD21 ASN A 206 2.250 3.710 -0.945 1.00 1.00 H new ATOM 0 HD22 ASN A 206 3.153 2.855 0.310 1.00 1.00 H new ATOM 125 N CYS A 207 5.415 -1.784 -0.870 1.00 1.00 N ATOM 126 CA CYS A 207 6.542 -2.619 -0.381 1.00 1.00 C ATOM 127 C CYS A 207 6.376 -4.097 -0.783 1.00 1.00 C ATOM 128 O CYS A 207 7.206 -4.925 -0.468 1.00 1.00 O ATOM 129 CB CYS A 207 6.523 -2.417 1.138 1.00 1.00 C ATOM 130 SG CYS A 207 5.227 -3.417 1.910 1.00 1.00 S ATOM 0 H CYS A 207 4.500 -2.010 -0.481 1.00 1.00 H new ATOM 0 HA CYS A 207 7.498 -2.330 -0.817 1.00 1.00 H new ATOM 0 HB2 CYS A 207 7.493 -2.687 1.556 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.359 -1.364 1.366 1.00 1.00 H new ATOM 0 HG CYS A 207 4.078 -3.125 1.376 1.00 1.00 H new ATOM 135 N GLY A 208 5.333 -4.426 -1.502 1.00 1.00 N ATOM 136 CA GLY A 208 5.146 -5.844 -1.952 1.00 1.00 C ATOM 137 C GLY A 208 4.673 -6.722 -0.793 1.00 1.00 C ATOM 138 O GLY A 208 4.558 -7.925 -0.919 1.00 1.00 O ATOM 0 H GLY A 208 4.603 -3.778 -1.798 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.418 -5.880 -2.763 1.00 1.00 H new ATOM 0 HA3 GLY A 208 6.084 -6.231 -2.349 1.00 1.00 H new ATOM 142 N ALA A 209 4.396 -6.133 0.329 1.00 1.00 N ATOM 143 CA ALA A 209 3.926 -6.924 1.499 1.00 1.00 C ATOM 144 C ALA A 209 2.856 -7.929 1.061 1.00 1.00 C ATOM 145 O ALA A 209 1.778 -7.558 0.646 1.00 1.00 O ATOM 146 CB ALA A 209 3.330 -5.887 2.447 1.00 1.00 C ATOM 0 H ALA A 209 4.475 -5.129 0.491 1.00 1.00 H new ATOM 0 HA ALA A 209 4.726 -7.498 1.966 1.00 1.00 H new ATOM 0 HB1 ALA A 209 2.957 -6.384 3.342 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.098 -5.166 2.726 1.00 1.00 H new ATOM 0 HB3 ALA A 209 2.509 -5.369 1.950 1.00 1.00 H new ATOM 152 N THR A 210 3.145 -9.198 1.154 1.00 1.00 N ATOM 153 CA THR A 210 2.142 -10.223 0.745 1.00 1.00 C ATOM 154 C THR A 210 1.515 -10.868 1.983 1.00 1.00 C ATOM 155 O THR A 210 0.480 -11.500 1.911 1.00 1.00 O ATOM 156 CB THR A 210 2.933 -11.256 -0.059 1.00 1.00 C ATOM 157 OG1 THR A 210 3.950 -10.598 -0.801 1.00 1.00 O ATOM 158 CG2 THR A 210 1.992 -11.990 -1.016 1.00 1.00 C ATOM 0 H THR A 210 4.031 -9.570 1.495 1.00 1.00 H new ATOM 0 HA THR A 210 1.327 -9.795 0.162 1.00 1.00 H new ATOM 0 HB THR A 210 3.388 -11.976 0.621 1.00 1.00 H new ATOM 0 HG1 THR A 210 4.459 -11.259 -1.316 1.00 1.00 H new ATOM 0 HG21 THR A 210 2.557 -12.726 -1.588 1.00 1.00 H new ATOM 0 HG22 THR A 210 1.213 -12.495 -0.445 1.00 1.00 H new ATOM 0 HG23 THR A 210 1.535 -11.273 -1.698 1.00 1.00 H new ATOM 166 N ALA A 211 2.135 -10.710 3.120 1.00 1.00 N ATOM 167 CA ALA A 211 1.576 -11.309 4.365 1.00 1.00 C ATOM 168 C ALA A 211 0.800 -10.248 5.152 1.00 1.00 C ATOM 169 O ALA A 211 0.689 -10.315 6.359 1.00 1.00 O ATOM 170 CB ALA A 211 2.794 -11.783 5.157 1.00 1.00 C ATOM 0 H ALA A 211 3.005 -10.192 3.241 1.00 1.00 H new ATOM 0 HA ALA A 211 0.883 -12.125 4.160 1.00 1.00 H new ATOM 0 HB1 ALA A 211 2.466 -12.238 6.092 1.00 1.00 H new ATOM 0 HB2 ALA A 211 3.346 -12.517 4.570 1.00 1.00 H new ATOM 0 HB3 ALA A 211 3.440 -10.932 5.375 1.00 1.00 H new ATOM 176 N THR A 212 0.264 -9.271 4.473 1.00 1.00 N ATOM 177 CA THR A 212 -0.505 -8.203 5.177 1.00 1.00 C ATOM 178 C THR A 212 -1.956 -8.648 5.387 1.00 1.00 C ATOM 179 O THR A 212 -2.476 -9.443 4.632 1.00 1.00 O ATOM 180 CB THR A 212 -0.446 -6.994 4.237 1.00 1.00 C ATOM 181 OG1 THR A 212 -0.881 -5.834 4.931 1.00 1.00 O ATOM 182 CG2 THR A 212 -1.352 -7.237 3.029 1.00 1.00 C ATOM 0 H THR A 212 0.325 -9.165 3.460 1.00 1.00 H new ATOM 0 HA THR A 212 -0.096 -7.977 6.162 1.00 1.00 H new ATOM 0 HB THR A 212 0.579 -6.851 3.895 1.00 1.00 H new ATOM 0 HG1 THR A 212 -1.671 -5.463 4.485 1.00 1.00 H new ATOM 0 HG21 THR A 212 -1.308 -6.376 2.362 1.00 1.00 H new ATOM 0 HG22 THR A 212 -1.016 -8.126 2.496 1.00 1.00 H new ATOM 0 HG23 THR A 212 -2.378 -7.382 3.367 1.00 1.00 H new ATOM 190 N PRO A 213 -2.560 -8.113 6.413 1.00 1.00 N ATOM 191 CA PRO A 213 -3.971 -8.452 6.728 1.00 1.00 C ATOM 192 C PRO A 213 -4.906 -7.854 5.669 1.00 1.00 C ATOM 193 O PRO A 213 -4.502 -7.619 4.547 1.00 1.00 O ATOM 194 CB PRO A 213 -4.193 -7.814 8.100 1.00 1.00 C ATOM 195 CG PRO A 213 -3.189 -6.710 8.176 1.00 1.00 C ATOM 196 CD PRO A 213 -1.999 -7.147 7.365 1.00 1.00 C ATOM 0 HA PRO A 213 -4.173 -9.523 6.733 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -5.209 -7.432 8.199 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -4.046 -8.538 8.901 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -3.605 -5.782 7.783 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -2.903 -6.519 9.210 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -1.533 -6.305 6.853 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -1.233 -7.602 7.992 1.00 1.00 H new ATOM 204 N LEU A 214 -6.145 -7.614 6.010 1.00 1.00 N ATOM 205 CA LEU A 214 -7.105 -7.036 5.022 1.00 1.00 C ATOM 206 C LEU A 214 -6.404 -6.008 4.126 1.00 1.00 C ATOM 207 O LEU A 214 -5.895 -5.008 4.593 1.00 1.00 O ATOM 208 CB LEU A 214 -8.185 -6.360 5.866 1.00 1.00 C ATOM 209 CG LEU A 214 -9.060 -5.484 4.971 1.00 1.00 C ATOM 210 CD1 LEU A 214 -10.500 -6.000 5.000 1.00 1.00 C ATOM 211 CD2 LEU A 214 -9.028 -4.041 5.479 1.00 1.00 C ATOM 0 H LEU A 214 -6.536 -7.794 6.935 1.00 1.00 H new ATOM 0 HA LEU A 214 -7.518 -7.798 4.361 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -8.796 -7.113 6.364 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -7.725 -5.755 6.647 1.00 1.00 H new ATOM 0 HG LEU A 214 -8.681 -5.519 3.950 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -11.124 -5.374 4.361 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -10.526 -7.028 4.638 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -10.878 -5.966 6.022 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -9.652 -3.416 4.840 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -9.406 -4.007 6.501 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -8.003 -3.671 5.458 1.00 1.00 H new ATOM 223 N TRP A 215 -6.371 -6.252 2.844 1.00 1.00 N ATOM 224 CA TRP A 215 -5.701 -5.295 1.916 1.00 1.00 C ATOM 225 C TRP A 215 -6.517 -4.006 1.794 1.00 1.00 C ATOM 226 O TRP A 215 -7.650 -3.931 2.230 1.00 1.00 O ATOM 227 CB TRP A 215 -5.649 -6.021 0.572 1.00 1.00 C ATOM 228 CG TRP A 215 -4.606 -7.093 0.620 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.778 -8.317 1.169 1.00 1.00 C ATOM 230 CD2 TRP A 215 -3.240 -7.059 0.112 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.606 -9.037 1.030 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.628 -8.306 0.384 1.00 1.00 C ATOM 233 CE3 TRP A 215 -2.480 -6.079 -0.555 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -1.311 -8.571 0.010 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -1.154 -6.344 -0.931 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.571 -7.586 -0.649 1.00 1.00 C ATOM 0 H TRP A 215 -6.779 -7.074 2.398 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.710 -5.008 2.268 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.622 -6.456 0.345 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -5.422 -5.314 -0.226 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.683 -8.674 1.639 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.479 -9.992 1.364 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.920 -5.118 -0.778 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -0.866 -9.531 0.228 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.579 -5.585 -1.441 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.450 -7.782 -0.941 1.00 1.00 H new ATOM 247 N ARG A 216 -5.950 -2.994 1.200 1.00 1.00 N ATOM 248 CA ARG A 216 -6.685 -1.706 1.038 1.00 1.00 C ATOM 249 C ARG A 216 -6.167 -0.966 -0.197 1.00 1.00 C ATOM 250 O ARG A 216 -5.007 -0.614 -0.280 1.00 1.00 O ATOM 251 CB ARG A 216 -6.380 -0.912 2.308 1.00 1.00 C ATOM 252 CG ARG A 216 -7.578 -0.029 2.663 1.00 1.00 C ATOM 253 CD ARG A 216 -7.857 0.941 1.513 1.00 1.00 C ATOM 254 NE ARG A 216 -8.830 1.923 2.068 1.00 1.00 N ATOM 255 CZ ARG A 216 -10.101 1.804 1.798 1.00 1.00 C ATOM 256 NH1 ARG A 216 -10.870 1.092 2.578 1.00 1.00 N ATOM 257 NH2 ARG A 216 -10.606 2.397 0.751 1.00 1.00 N ATOM 0 H ARG A 216 -5.005 -3.002 0.817 1.00 1.00 H new ATOM 0 HA ARG A 216 -7.756 -1.851 0.900 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -6.161 -1.593 3.131 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -5.493 -0.296 2.159 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -8.455 -0.647 2.852 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -7.375 0.526 3.579 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -6.943 1.434 1.182 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -8.270 0.421 0.649 1.00 1.00 H new ATOM 0 HE ARG A 216 -8.503 2.688 2.659 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -10.477 0.629 3.398 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -11.864 0.999 2.367 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -10.007 2.955 0.142 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -11.600 2.303 0.541 1.00 1.00 H new ATOM 271 N ARG A 217 -7.013 -0.735 -1.164 1.00 1.00 N ATOM 272 CA ARG A 217 -6.561 -0.030 -2.393 1.00 1.00 C ATOM 273 C ARG A 217 -6.731 1.482 -2.237 1.00 1.00 C ATOM 274 O ARG A 217 -7.391 1.954 -1.331 1.00 1.00 O ATOM 275 CB ARG A 217 -7.468 -0.556 -3.503 1.00 1.00 C ATOM 276 CG ARG A 217 -7.506 -2.087 -3.456 1.00 1.00 C ATOM 277 CD ARG A 217 -8.959 -2.564 -3.528 1.00 1.00 C ATOM 278 NE ARG A 217 -9.441 -2.125 -4.867 1.00 1.00 N ATOM 279 CZ ARG A 217 -10.699 -2.264 -5.185 1.00 1.00 C ATOM 280 NH1 ARG A 217 -11.597 -2.403 -4.248 1.00 1.00 N ATOM 281 NH2 ARG A 217 -11.058 -2.266 -6.439 1.00 1.00 N ATOM 0 H ARG A 217 -7.997 -1.005 -1.154 1.00 1.00 H new ATOM 0 HA ARG A 217 -5.506 -0.208 -2.604 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -8.474 -0.154 -3.385 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.103 -0.221 -4.474 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -6.934 -2.501 -4.287 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -7.040 -2.445 -2.538 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -9.025 -3.647 -3.420 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -9.558 -2.127 -2.730 1.00 1.00 H new ATOM 0 HE ARG A 217 -8.788 -1.716 -5.535 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -11.315 -2.403 -3.268 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -12.580 -2.512 -4.496 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -10.356 -2.159 -7.171 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -12.041 -2.375 -6.688 1.00 1.00 H new ATOM 295 N ASP A 218 -6.134 2.244 -3.110 1.00 1.00 N ATOM 296 CA ASP A 218 -6.248 3.724 -3.018 1.00 1.00 C ATOM 297 C ASP A 218 -6.701 4.303 -4.362 1.00 1.00 C ATOM 298 O ASP A 218 -7.202 3.601 -5.217 1.00 1.00 O ATOM 299 CB ASP A 218 -4.838 4.207 -2.677 1.00 1.00 C ATOM 300 CG ASP A 218 -3.803 3.410 -3.478 1.00 1.00 C ATOM 301 OD1 ASP A 218 -4.186 2.808 -4.469 1.00 1.00 O ATOM 302 OD2 ASP A 218 -2.648 3.415 -3.087 1.00 1.00 O ATOM 0 H ASP A 218 -5.569 1.902 -3.887 1.00 1.00 H new ATOM 0 HA ASP A 218 -6.979 4.037 -2.273 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -4.744 5.269 -2.902 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -4.653 4.090 -1.609 1.00 1.00 H new ATOM 307 N ARG A 219 -6.523 5.582 -4.556 1.00 1.00 N ATOM 308 CA ARG A 219 -6.939 6.209 -5.843 1.00 1.00 C ATOM 309 C ARG A 219 -6.369 5.424 -7.023 1.00 1.00 C ATOM 310 O ARG A 219 -6.930 5.404 -8.100 1.00 1.00 O ATOM 311 CB ARG A 219 -6.333 7.611 -5.811 1.00 1.00 C ATOM 312 CG ARG A 219 -7.451 8.653 -5.797 1.00 1.00 C ATOM 313 CD ARG A 219 -8.140 8.645 -4.431 1.00 1.00 C ATOM 314 NE ARG A 219 -9.591 8.795 -4.732 1.00 1.00 N ATOM 315 CZ ARG A 219 -10.447 8.959 -3.760 1.00 1.00 C ATOM 316 NH1 ARG A 219 -10.263 9.906 -2.881 1.00 1.00 N ATOM 317 NH2 ARG A 219 -11.484 8.173 -3.666 1.00 1.00 N ATOM 0 H ARG A 219 -6.107 6.220 -3.878 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.023 6.226 -5.958 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -5.704 7.726 -4.928 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -5.693 7.761 -6.680 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -7.043 9.642 -6.004 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -8.175 8.436 -6.582 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -7.942 7.717 -3.894 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -7.781 9.460 -3.803 1.00 1.00 H new ATOM 0 HE ARG A 219 -9.916 8.770 -5.698 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -9.450 10.518 -2.953 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -10.932 10.034 -2.122 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -11.625 7.431 -4.352 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -12.153 8.300 -2.907 1.00 1.00 H new ATOM 331 N THR A 220 -5.250 4.786 -6.831 1.00 1.00 N ATOM 332 CA THR A 220 -4.637 4.014 -7.947 1.00 1.00 C ATOM 333 C THR A 220 -5.157 2.573 -7.948 1.00 1.00 C ATOM 334 O THR A 220 -4.597 1.701 -8.586 1.00 1.00 O ATOM 335 CB THR A 220 -3.134 4.047 -7.664 1.00 1.00 C ATOM 336 OG1 THR A 220 -2.850 3.231 -6.538 1.00 1.00 O ATOM 337 CG2 THR A 220 -2.704 5.487 -7.377 1.00 1.00 C ATOM 0 H THR A 220 -4.734 4.765 -5.952 1.00 1.00 H new ATOM 0 HA THR A 220 -4.879 4.433 -8.924 1.00 1.00 H new ATOM 0 HB THR A 220 -2.589 3.672 -8.530 1.00 1.00 H new ATOM 0 HG1 THR A 220 -1.992 2.777 -6.671 1.00 1.00 H new ATOM 0 HG21 THR A 220 -1.633 5.514 -7.175 1.00 1.00 H new ATOM 0 HG22 THR A 220 -2.926 6.112 -8.242 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.246 5.863 -6.509 1.00 1.00 H new ATOM 345 N GLY A 221 -6.223 2.318 -7.243 1.00 1.00 N ATOM 346 CA GLY A 221 -6.782 0.937 -7.208 1.00 1.00 C ATOM 347 C GLY A 221 -5.677 -0.063 -6.859 1.00 1.00 C ATOM 348 O GLY A 221 -5.791 -1.243 -7.123 1.00 1.00 O ATOM 0 H GLY A 221 -6.732 3.006 -6.689 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.584 0.878 -6.472 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -7.218 0.687 -8.175 1.00 1.00 H new ATOM 352 N HIS A 222 -4.611 0.394 -6.262 1.00 1.00 N ATOM 353 CA HIS A 222 -3.508 -0.540 -5.895 1.00 1.00 C ATOM 354 C HIS A 222 -3.915 -1.376 -4.679 1.00 1.00 C ATOM 355 O HIS A 222 -5.070 -1.416 -4.304 1.00 1.00 O ATOM 356 CB HIS A 222 -2.316 0.361 -5.559 1.00 1.00 C ATOM 357 CG HIS A 222 -1.511 0.608 -6.806 1.00 1.00 C ATOM 358 ND1 HIS A 222 -0.937 1.840 -7.082 1.00 1.00 N ATOM 359 CD2 HIS A 222 -1.177 -0.206 -7.860 1.00 1.00 C ATOM 360 CE1 HIS A 222 -0.294 1.730 -8.259 1.00 1.00 C ATOM 361 NE2 HIS A 222 -0.407 0.505 -8.776 1.00 1.00 N ATOM 0 H HIS A 222 -4.456 1.371 -6.013 1.00 1.00 H new ATOM 0 HA HIS A 222 -3.271 -1.239 -6.697 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.666 1.307 -5.145 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.693 -0.109 -4.798 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -1.468 -1.241 -7.963 1.00 1.00 H new ATOM 0 HE1 HIS A 222 0.249 2.537 -8.729 1.00 1.00 H new ATOM 0 HE2 HIS A 222 -0.014 0.163 -9.653 1.00 1.00 H new ATOM 369 N TYR A 223 -2.981 -2.050 -4.064 1.00 1.00 N ATOM 370 CA TYR A 223 -3.328 -2.884 -2.881 1.00 1.00 C ATOM 371 C TYR A 223 -2.252 -2.752 -1.800 1.00 1.00 C ATOM 372 O TYR A 223 -1.518 -3.683 -1.532 1.00 1.00 O ATOM 373 CB TYR A 223 -3.364 -4.312 -3.416 1.00 1.00 C ATOM 374 CG TYR A 223 -4.758 -4.642 -3.892 1.00 1.00 C ATOM 375 CD1 TYR A 223 -5.808 -4.746 -2.972 1.00 1.00 C ATOM 376 CD2 TYR A 223 -4.999 -4.845 -5.256 1.00 1.00 C ATOM 377 CE1 TYR A 223 -7.100 -5.052 -3.416 1.00 1.00 C ATOM 378 CE2 TYR A 223 -6.290 -5.150 -5.701 1.00 1.00 C ATOM 379 CZ TYR A 223 -7.341 -5.255 -4.781 1.00 1.00 C ATOM 380 OH TYR A 223 -8.614 -5.557 -5.219 1.00 1.00 O ATOM 0 H TYR A 223 -1.996 -2.058 -4.330 1.00 1.00 H new ATOM 0 HA TYR A 223 -4.272 -2.584 -2.426 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.654 -4.421 -4.236 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -3.061 -5.011 -2.636 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -5.621 -4.590 -1.920 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -4.188 -4.766 -5.965 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -7.910 -5.132 -2.707 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -6.476 -5.304 -6.754 1.00 1.00 H new ATOM 0 HH TYR A 223 -8.608 -5.665 -6.193 1.00 1.00 H new ATOM 390 N LEU A 224 -2.145 -1.611 -1.178 1.00 1.00 N ATOM 391 CA LEU A 224 -1.106 -1.445 -0.120 1.00 1.00 C ATOM 392 C LEU A 224 -1.266 -2.527 0.950 1.00 1.00 C ATOM 393 O LEU A 224 -2.203 -3.301 0.926 1.00 1.00 O ATOM 394 CB LEU A 224 -1.344 -0.056 0.472 1.00 1.00 C ATOM 395 CG LEU A 224 -0.156 0.846 0.132 1.00 1.00 C ATOM 396 CD1 LEU A 224 -0.034 0.976 -1.385 1.00 1.00 C ATOM 397 CD2 LEU A 224 -0.376 2.231 0.745 1.00 1.00 C ATOM 0 H LEU A 224 -2.726 -0.791 -1.353 1.00 1.00 H new ATOM 0 HA LEU A 224 -0.096 -1.540 -0.519 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -2.265 0.369 0.073 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -1.466 -0.124 1.553 1.00 1.00 H new ATOM 0 HG LEU A 224 0.758 0.410 0.535 1.00 1.00 H new ATOM 0 HD11 LEU A 224 0.812 1.619 -1.628 1.00 1.00 H new ATOM 0 HD12 LEU A 224 0.121 -0.010 -1.823 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -0.948 1.412 -1.787 1.00 1.00 H new ATOM 0 HD21 LEU A 224 0.470 2.874 0.503 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -1.290 2.667 0.341 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -0.465 2.140 1.828 1.00 1.00 H new ATOM 409 N CYS A 225 -0.359 -2.596 1.887 1.00 1.00 N ATOM 410 CA CYS A 225 -0.467 -3.637 2.950 1.00 1.00 C ATOM 411 C CYS A 225 -0.997 -3.024 4.252 1.00 1.00 C ATOM 412 O CYS A 225 -1.779 -3.631 4.956 1.00 1.00 O ATOM 413 CB CYS A 225 0.954 -4.172 3.139 1.00 1.00 C ATOM 414 SG CYS A 225 2.021 -2.868 3.800 1.00 1.00 S ATOM 0 H CYS A 225 0.450 -1.979 1.963 1.00 1.00 H new ATOM 0 HA CYS A 225 -1.162 -4.430 2.674 1.00 1.00 H new ATOM 0 HB2 CYS A 225 0.944 -5.024 3.818 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.347 -4.528 2.187 1.00 1.00 H new ATOM 0 HG CYS A 225 3.201 -2.959 3.263 1.00 1.00 H new ATOM 419 N ASN A 226 -0.585 -1.826 4.577 1.00 1.00 N ATOM 420 CA ASN A 226 -1.076 -1.186 5.835 1.00 1.00 C ATOM 421 C ASN A 226 -0.250 0.063 6.159 1.00 1.00 C ATOM 422 O ASN A 226 -0.691 1.179 5.969 1.00 1.00 O ATOM 423 CB ASN A 226 -0.888 -2.241 6.930 1.00 1.00 C ATOM 424 CG ASN A 226 -2.249 -2.612 7.522 1.00 1.00 C ATOM 425 OD1 ASN A 226 -2.376 -2.726 8.816 1.00 1.00 O flip ATOM 426 ND2 ASN A 226 -3.207 -2.800 6.799 1.00 1.00 N flip ATOM 0 H ASN A 226 0.067 -1.265 4.029 1.00 1.00 H new ATOM 0 HA ASN A 226 -2.115 -0.869 5.746 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -0.406 -3.127 6.517 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -0.233 -1.856 7.711 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -3.108 -2.711 5.788 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -4.110 -3.047 7.203 1.00 1.00 H new ATOM 433 N ALA A 227 0.943 -0.119 6.658 1.00 1.00 N ATOM 434 CA ALA A 227 1.797 1.054 7.007 1.00 1.00 C ATOM 435 C ALA A 227 2.125 1.879 5.758 1.00 1.00 C ATOM 436 O ALA A 227 2.523 3.023 5.851 1.00 1.00 O ATOM 437 CB ALA A 227 3.071 0.449 7.598 1.00 1.00 C ATOM 0 H ALA A 227 1.364 -1.030 6.839 1.00 1.00 H new ATOM 0 HA ALA A 227 1.298 1.729 7.702 1.00 1.00 H new ATOM 0 HB1 ALA A 227 3.756 1.248 7.882 1.00 1.00 H new ATOM 0 HB2 ALA A 227 2.819 -0.142 8.478 1.00 1.00 H new ATOM 0 HB3 ALA A 227 3.548 -0.191 6.856 1.00 1.00 H new ATOM 443 N CYS A 228 1.968 1.312 4.594 1.00 1.00 N ATOM 444 CA CYS A 228 2.277 2.074 3.350 1.00 1.00 C ATOM 445 C CYS A 228 1.170 3.090 3.057 1.00 1.00 C ATOM 446 O CYS A 228 1.354 4.021 2.297 1.00 1.00 O ATOM 447 CB CYS A 228 2.345 1.024 2.252 1.00 1.00 C ATOM 448 SG CYS A 228 3.881 0.077 2.411 1.00 1.00 S ATOM 0 H CYS A 228 1.640 0.357 4.450 1.00 1.00 H new ATOM 0 HA CYS A 228 3.206 2.638 3.433 1.00 1.00 H new ATOM 0 HB2 CYS A 228 1.486 0.357 2.319 1.00 1.00 H new ATOM 0 HB3 CYS A 228 2.301 1.503 1.274 1.00 1.00 H new ATOM 0 HG CYS A 228 3.627 -1.073 2.962 1.00 1.00 H new ATOM 453 N GLY A 229 0.022 2.917 3.652 1.00 1.00 N ATOM 454 CA GLY A 229 -1.095 3.872 3.403 1.00 1.00 C ATOM 455 C GLY A 229 -1.057 4.991 4.447 1.00 1.00 C ATOM 456 O GLY A 229 -1.626 6.047 4.259 1.00 1.00 O ATOM 0 H GLY A 229 -0.191 2.157 4.299 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -1.010 4.293 2.401 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -2.051 3.350 3.450 1.00 1.00 H new ATOM 460 N LEU A 230 -0.391 4.768 5.548 1.00 1.00 N ATOM 461 CA LEU A 230 -0.321 5.823 6.601 1.00 1.00 C ATOM 462 C LEU A 230 0.015 7.178 5.974 1.00 1.00 C ATOM 463 O LEU A 230 -0.679 8.154 6.174 1.00 1.00 O ATOM 464 CB LEU A 230 0.796 5.374 7.539 1.00 1.00 C ATOM 465 CG LEU A 230 0.265 5.314 8.972 1.00 1.00 C ATOM 466 CD1 LEU A 230 1.427 5.095 9.942 1.00 1.00 C ATOM 467 CD2 LEU A 230 -0.437 6.633 9.307 1.00 1.00 C ATOM 0 H LEU A 230 0.106 3.904 5.764 1.00 1.00 H new ATOM 0 HA LEU A 230 -1.269 5.944 7.126 1.00 1.00 H new ATOM 0 HB2 LEU A 230 1.168 4.395 7.236 1.00 1.00 H new ATOM 0 HB3 LEU A 230 1.636 6.066 7.480 1.00 1.00 H new ATOM 0 HG LEU A 230 -0.441 4.489 9.063 1.00 1.00 H new ATOM 0 HD11 LEU A 230 1.046 5.053 10.962 1.00 1.00 H new ATOM 0 HD12 LEU A 230 1.929 4.157 9.703 1.00 1.00 H new ATOM 0 HD13 LEU A 230 2.135 5.919 9.853 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -0.817 6.594 10.328 1.00 1.00 H new ATOM 0 HD22 LEU A 230 0.272 7.456 9.215 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -1.266 6.789 8.617 1.00 1.00 H new ATOM 479 N TYR A 231 1.076 7.247 5.216 1.00 1.00 N ATOM 480 CA TYR A 231 1.455 8.540 4.576 1.00 1.00 C ATOM 481 C TYR A 231 0.296 9.067 3.725 1.00 1.00 C ATOM 482 O TYR A 231 -0.105 10.207 3.842 1.00 1.00 O ATOM 483 CB TYR A 231 2.659 8.209 3.696 1.00 1.00 C ATOM 484 CG TYR A 231 3.504 9.446 3.508 1.00 1.00 C ATOM 485 CD1 TYR A 231 4.428 9.820 4.492 1.00 1.00 C ATOM 486 CD2 TYR A 231 3.365 10.220 2.350 1.00 1.00 C ATOM 487 CE1 TYR A 231 5.211 10.966 4.318 1.00 1.00 C ATOM 488 CE2 TYR A 231 4.148 11.366 2.176 1.00 1.00 C ATOM 489 CZ TYR A 231 5.071 11.740 3.158 1.00 1.00 C ATOM 490 OH TYR A 231 5.844 12.869 2.987 1.00 1.00 O ATOM 0 H TYR A 231 1.697 6.464 5.012 1.00 1.00 H new ATOM 0 HA TYR A 231 1.688 9.312 5.310 1.00 1.00 H new ATOM 0 HB2 TYR A 231 3.252 7.418 4.155 1.00 1.00 H new ATOM 0 HB3 TYR A 231 2.323 7.835 2.729 1.00 1.00 H new ATOM 0 HD1 TYR A 231 4.536 9.223 5.386 1.00 1.00 H new ATOM 0 HD2 TYR A 231 2.653 9.932 1.591 1.00 1.00 H new ATOM 0 HE1 TYR A 231 5.923 11.254 5.077 1.00 1.00 H new ATOM 0 HE2 TYR A 231 4.040 11.963 1.282 1.00 1.00 H new ATOM 0 HH TYR A 231 5.376 13.645 3.360 1.00 1.00 H new ATOM 500 N HIS A 232 -0.243 8.243 2.869 1.00 1.00 N ATOM 501 CA HIS A 232 -1.374 8.692 2.011 1.00 1.00 C ATOM 502 C HIS A 232 -2.499 9.273 2.874 1.00 1.00 C ATOM 503 O HIS A 232 -3.319 10.037 2.408 1.00 1.00 O ATOM 504 CB HIS A 232 -1.849 7.428 1.294 1.00 1.00 C ATOM 505 CG HIS A 232 -2.414 7.792 -0.051 1.00 1.00 C ATOM 506 ND1 HIS A 232 -1.828 8.288 -1.190 1.00 1.00 N flip ATOM 507 CD2 HIS A 232 -3.761 7.657 -0.347 1.00 1.00 C flip ATOM 508 CE1 HIS A 232 -2.793 8.457 -2.178 1.00 1.00 C flip ATOM 509 NE2 HIS A 232 -3.940 8.062 -1.617 1.00 1.00 N flip ATOM 0 H HIS A 232 0.052 7.277 2.727 1.00 1.00 H new ATOM 0 HA HIS A 232 -1.076 9.473 1.312 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -1.019 6.732 1.174 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -2.606 6.921 1.892 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -4.528 7.293 0.321 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -2.647 8.828 -3.182 1.00 1.00 H new ATOM 0 HE2 HIS A 232 -4.842 8.067 -2.094 1.00 1.00 H new ATOM 517 N LYS A 233 -2.546 8.911 4.125 1.00 1.00 N ATOM 518 CA LYS A 233 -3.623 9.441 5.014 1.00 1.00 C ATOM 519 C LYS A 233 -3.276 10.852 5.500 1.00 1.00 C ATOM 520 O LYS A 233 -4.036 11.784 5.324 1.00 1.00 O ATOM 521 CB LYS A 233 -3.676 8.469 6.194 1.00 1.00 C ATOM 522 CG LYS A 233 -3.956 7.055 5.682 1.00 1.00 C ATOM 523 CD LYS A 233 -5.424 6.703 5.929 1.00 1.00 C ATOM 524 CE LYS A 233 -5.511 5.549 6.931 1.00 1.00 C ATOM 525 NZ LYS A 233 -5.451 6.200 8.270 1.00 1.00 N ATOM 0 H LYS A 233 -1.888 8.273 4.572 1.00 1.00 H new ATOM 0 HA LYS A 233 -4.580 9.514 4.497 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -2.731 8.489 6.738 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -4.454 8.774 6.894 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -3.730 6.991 4.618 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -3.309 6.339 6.189 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -5.958 7.573 6.312 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -5.904 6.422 4.992 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -6.436 4.986 6.806 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -4.689 4.846 6.796 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -5.505 5.473 9.012 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -4.557 6.723 8.362 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -6.249 6.859 8.372 1.00 1.00 H new ATOM 539 N MET A 234 -2.141 11.014 6.123 1.00 1.00 N ATOM 540 CA MET A 234 -1.752 12.361 6.634 1.00 1.00 C ATOM 541 C MET A 234 -1.187 13.229 5.509 1.00 1.00 C ATOM 542 O MET A 234 -1.737 14.256 5.166 1.00 1.00 O ATOM 543 CB MET A 234 -0.675 12.086 7.685 1.00 1.00 C ATOM 544 CG MET A 234 -1.340 11.706 9.009 1.00 1.00 C ATOM 545 SD MET A 234 -0.918 12.936 10.268 1.00 1.00 S ATOM 546 CE MET A 234 -2.314 14.049 9.971 1.00 1.00 C ATOM 0 H MET A 234 -1.465 10.271 6.301 1.00 1.00 H new ATOM 0 HA MET A 234 -2.605 12.901 7.044 1.00 1.00 H new ATOM 0 HB2 MET A 234 -0.022 11.281 7.350 1.00 1.00 H new ATOM 0 HB3 MET A 234 -0.050 12.968 7.820 1.00 1.00 H new ATOM 0 HG2 MET A 234 -2.422 11.654 8.884 1.00 1.00 H new ATOM 0 HG3 MET A 234 -1.008 10.717 9.325 1.00 1.00 H new ATOM 0 HE1 MET A 234 -2.254 14.897 10.653 1.00 1.00 H new ATOM 0 HE2 MET A 234 -2.281 14.407 8.942 1.00 1.00 H new ATOM 0 HE3 MET A 234 -3.248 13.514 10.139 1.00 1.00 H new ATOM 556 N ASN A 235 -0.088 12.826 4.943 1.00 1.00 N ATOM 557 CA ASN A 235 0.529 13.629 3.847 1.00 1.00 C ATOM 558 C ASN A 235 -0.330 13.565 2.583 1.00 1.00 C ATOM 559 O ASN A 235 -0.367 14.492 1.799 1.00 1.00 O ATOM 560 CB ASN A 235 1.888 12.973 3.602 1.00 1.00 C ATOM 561 CG ASN A 235 2.910 13.536 4.590 1.00 1.00 C ATOM 562 OD1 ASN A 235 3.870 14.167 4.197 1.00 1.00 O ATOM 563 ND2 ASN A 235 2.745 13.330 5.869 1.00 1.00 N ATOM 0 H ASN A 235 0.414 11.973 5.190 1.00 1.00 H new ATOM 0 HA ASN A 235 0.619 14.683 4.110 1.00 1.00 H new ATOM 0 HB2 ASN A 235 1.809 11.892 3.720 1.00 1.00 H new ATOM 0 HB3 ASN A 235 2.215 13.159 2.579 1.00 1.00 H new ATOM 0 HD21 ASN A 235 3.422 13.699 6.537 1.00 1.00 H new ATOM 0 HD22 ASN A 235 1.939 12.800 6.200 1.00 1.00 H new ATOM 570 N GLY A 236 -1.019 12.479 2.378 1.00 1.00 N ATOM 571 CA GLY A 236 -1.871 12.357 1.168 1.00 1.00 C ATOM 572 C GLY A 236 -1.080 11.664 0.057 1.00 1.00 C ATOM 573 O GLY A 236 -1.586 10.800 -0.633 1.00 1.00 O ATOM 0 H GLY A 236 -1.028 11.670 2.999 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -2.771 11.786 1.399 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -2.196 13.344 0.837 1.00 1.00 H new ATOM 577 N GLN A 237 0.159 12.035 -0.121 1.00 1.00 N ATOM 578 CA GLN A 237 0.984 11.394 -1.186 1.00 1.00 C ATOM 579 C GLN A 237 1.301 9.945 -0.804 1.00 1.00 C ATOM 580 O GLN A 237 0.780 9.420 0.161 1.00 1.00 O ATOM 581 CB GLN A 237 2.264 12.226 -1.252 1.00 1.00 C ATOM 582 CG GLN A 237 1.962 13.584 -1.886 1.00 1.00 C ATOM 583 CD GLN A 237 2.186 13.503 -3.398 1.00 1.00 C ATOM 584 OE1 GLN A 237 1.446 12.840 -4.098 1.00 1.00 O ATOM 585 NE2 GLN A 237 3.182 14.154 -3.935 1.00 1.00 N ATOM 0 H GLN A 237 0.636 12.753 0.424 1.00 1.00 H new ATOM 0 HA GLN A 237 0.470 11.365 -2.147 1.00 1.00 H new ATOM 0 HB2 GLN A 237 2.672 12.364 -0.251 1.00 1.00 H new ATOM 0 HB3 GLN A 237 3.021 11.701 -1.835 1.00 1.00 H new ATOM 0 HG2 GLN A 237 0.933 13.875 -1.675 1.00 1.00 H new ATOM 0 HG3 GLN A 237 2.605 14.350 -1.453 1.00 1.00 H new ATOM 0 HE21 GLN A 237 3.803 14.711 -3.348 1.00 1.00 H new ATOM 0 HE22 GLN A 237 3.339 14.106 -4.942 1.00 1.00 H new ATOM 594 N ASN A 238 2.152 9.298 -1.550 1.00 1.00 N ATOM 595 CA ASN A 238 2.501 7.884 -1.227 1.00 1.00 C ATOM 596 C ASN A 238 3.677 7.839 -0.248 1.00 1.00 C ATOM 597 O ASN A 238 4.326 8.833 0.004 1.00 1.00 O ATOM 598 CB ASN A 238 2.897 7.264 -2.567 1.00 1.00 C ATOM 599 CG ASN A 238 1.644 7.038 -3.415 1.00 1.00 C ATOM 600 OD1 ASN A 238 0.920 6.084 -3.209 1.00 1.00 O ATOM 601 ND2 ASN A 238 1.354 7.881 -4.367 1.00 1.00 N ATOM 0 H ASN A 238 2.621 9.685 -2.369 1.00 1.00 H new ATOM 0 HA ASN A 238 1.676 7.351 -0.755 1.00 1.00 H new ATOM 0 HB2 ASN A 238 3.591 7.920 -3.092 1.00 1.00 H new ATOM 0 HB3 ASN A 238 3.414 6.318 -2.404 1.00 1.00 H new ATOM 0 HD21 ASN A 238 0.520 7.739 -4.937 1.00 1.00 H new ATOM 0 HD22 ASN A 238 1.961 8.682 -4.541 1.00 1.00 H new ATOM 608 N ARG A 239 3.957 6.690 0.304 1.00 1.00 N ATOM 609 CA ARG A 239 5.094 6.582 1.262 1.00 1.00 C ATOM 610 C ARG A 239 6.309 5.967 0.565 1.00 1.00 C ATOM 611 O ARG A 239 6.189 4.981 -0.137 1.00 1.00 O ATOM 612 CB ARG A 239 4.591 5.664 2.377 1.00 1.00 C ATOM 613 CG ARG A 239 5.660 5.549 3.467 1.00 1.00 C ATOM 614 CD ARG A 239 5.199 4.552 4.533 1.00 1.00 C ATOM 615 NE ARG A 239 4.283 5.328 5.415 1.00 1.00 N ATOM 616 CZ ARG A 239 4.769 6.084 6.360 1.00 1.00 C ATOM 617 NH1 ARG A 239 5.787 5.672 7.066 1.00 1.00 N ATOM 618 NH2 ARG A 239 4.240 7.251 6.599 1.00 1.00 N ATOM 0 H ARG A 239 3.448 5.822 0.133 1.00 1.00 H new ATOM 0 HA ARG A 239 5.405 7.553 1.648 1.00 1.00 H new ATOM 0 HB2 ARG A 239 3.667 6.060 2.799 1.00 1.00 H new ATOM 0 HB3 ARG A 239 4.360 4.678 1.974 1.00 1.00 H new ATOM 0 HG2 ARG A 239 6.604 5.221 3.032 1.00 1.00 H new ATOM 0 HG3 ARG A 239 5.839 6.524 3.920 1.00 1.00 H new ATOM 0 HD2 ARG A 239 4.687 3.701 4.083 1.00 1.00 H new ATOM 0 HD3 ARG A 239 6.045 4.155 5.094 1.00 1.00 H new ATOM 0 HE ARG A 239 3.274 5.268 5.280 1.00 1.00 H new ATOM 0 HH11 ARG A 239 6.202 4.759 6.878 1.00 1.00 H new ATOM 0 HH12 ARG A 239 6.168 6.263 7.805 1.00 1.00 H new ATOM 0 HH21 ARG A 239 3.445 7.573 6.047 1.00 1.00 H new ATOM 0 HH22 ARG A 239 4.621 7.842 7.338 1.00 1.00 H new