USER MOD reduce.3.24.130724 H: found=0, std=0, add=346, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 347 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 220 THR OG1 : rot -170:sc= -0.443 USER MOD Set 1.2: A 222 HIS : no HE2:sc= -3.78 K(o=-4.2,f=-6.1) USER MOD Single : A 199 SER OG : rot 180:sc= 0.0815 USER MOD Single : A 206 ASN : amide:sc= -7.7! C(o=-7.7!,f=-13!) USER MOD Single : A 210 THR OG1 : rot 46:sc= 0.497 USER MOD Single : A 212 THR OG1 : rot -116:sc= -0.23 USER MOD Single : A 223 TYR OH : rot 180:sc= -0.54 USER MOD Single : A 226 ASN : amide:sc= -0.229 K(o=-0.23,f=-3!) USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 232 HIS :FLIP no HE2:sc= -0.179 F(o=-1.7,f=-0.18) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl 143:sc= -0.179 (180deg=-1.17) USER MOD Single : A 235 ASN : amide:sc= 0.347 K(o=0.35,f=-0.85) USER MOD Single : A 237 GLN : amide:sc= -0.0908 K(o=-0.091,f=-0.61) USER MOD Single : A 238 ASN : amide:sc= -0.384 X(o=-0.38,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 198 1.451 -11.308 -5.808 1.00 1.00 N ATOM 2 CA GLY A 198 1.729 -12.708 -5.375 1.00 1.00 C ATOM 3 C GLY A 198 0.584 -13.618 -5.825 1.00 1.00 C ATOM 4 O GLY A 198 -0.014 -13.414 -6.863 1.00 1.00 O ATOM 0 HA2 GLY A 198 2.671 -13.052 -5.803 1.00 1.00 H new ATOM 0 HA3 GLY A 198 1.837 -12.750 -4.291 1.00 1.00 H new ATOM 10 N SER A 199 0.274 -14.622 -5.051 1.00 1.00 N ATOM 11 CA SER A 199 -0.833 -15.545 -5.434 1.00 1.00 C ATOM 12 C SER A 199 -2.079 -15.257 -4.592 1.00 1.00 C ATOM 13 O SER A 199 -2.901 -14.435 -4.943 1.00 1.00 O ATOM 14 CB SER A 199 -0.297 -16.947 -5.144 1.00 1.00 C ATOM 15 OG SER A 199 0.739 -16.862 -4.175 1.00 1.00 O ATOM 0 H SER A 199 0.739 -14.843 -4.170 1.00 1.00 H new ATOM 0 HA SER A 199 -1.125 -15.430 -6.478 1.00 1.00 H new ATOM 0 HB2 SER A 199 -1.100 -17.588 -4.780 1.00 1.00 H new ATOM 0 HB3 SER A 199 0.082 -17.401 -6.060 1.00 1.00 H new ATOM 0 HG SER A 199 1.084 -17.759 -3.985 1.00 1.00 H new ATOM 21 N GLU A 200 -2.227 -15.926 -3.480 1.00 1.00 N ATOM 22 CA GLU A 200 -3.419 -15.687 -2.620 1.00 1.00 C ATOM 23 C GLU A 200 -3.512 -14.208 -2.246 1.00 1.00 C ATOM 24 O GLU A 200 -4.393 -13.498 -2.689 1.00 1.00 O ATOM 25 CB GLU A 200 -3.185 -16.543 -1.373 1.00 1.00 C ATOM 26 CG GLU A 200 -4.358 -16.372 -0.406 1.00 1.00 C ATOM 27 CD GLU A 200 -3.851 -16.476 1.032 1.00 1.00 C ATOM 28 OE1 GLU A 200 -2.682 -16.206 1.249 1.00 1.00 O ATOM 29 OE2 GLU A 200 -4.642 -16.821 1.895 1.00 1.00 O ATOM 0 H GLU A 200 -1.574 -16.627 -3.131 1.00 1.00 H new ATOM 0 HA GLU A 200 -4.351 -15.946 -3.123 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -3.081 -17.591 -1.653 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -2.254 -16.249 -0.887 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -4.837 -15.406 -0.565 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -5.112 -17.136 -0.593 1.00 1.00 H new ATOM 36 N ALA A 201 -2.609 -13.740 -1.435 1.00 1.00 N ATOM 37 CA ALA A 201 -2.639 -12.305 -1.026 1.00 1.00 C ATOM 38 C ALA A 201 -2.166 -11.419 -2.182 1.00 1.00 C ATOM 39 O ALA A 201 -1.581 -11.885 -3.138 1.00 1.00 O ATOM 40 CB ALA A 201 -1.673 -12.210 0.153 1.00 1.00 C ATOM 0 H ALA A 201 -1.848 -14.288 -1.035 1.00 1.00 H new ATOM 0 HA ALA A 201 -3.641 -11.971 -0.758 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -1.638 -11.182 0.513 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -2.013 -12.864 0.956 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -0.677 -12.516 -0.167 1.00 1.00 H new ATOM 46 N ARG A 202 -2.419 -10.139 -2.098 1.00 1.00 N ATOM 47 CA ARG A 202 -1.987 -9.219 -3.190 1.00 1.00 C ATOM 48 C ARG A 202 -0.519 -8.829 -3.008 1.00 1.00 C ATOM 49 O ARG A 202 0.174 -9.356 -2.159 1.00 1.00 O ATOM 50 CB ARG A 202 -2.886 -7.990 -3.048 1.00 1.00 C ATOM 51 CG ARG A 202 -4.351 -8.425 -3.054 1.00 1.00 C ATOM 52 CD ARG A 202 -4.829 -8.589 -4.499 1.00 1.00 C ATOM 53 NE ARG A 202 -5.404 -9.961 -4.561 1.00 1.00 N ATOM 54 CZ ARG A 202 -5.860 -10.425 -5.693 1.00 1.00 C ATOM 55 NH1 ARG A 202 -5.035 -10.684 -6.671 1.00 1.00 N ATOM 56 NH2 ARG A 202 -7.139 -10.631 -5.845 1.00 1.00 N ATOM 0 H ARG A 202 -2.906 -9.692 -1.321 1.00 1.00 H new ATOM 0 HA ARG A 202 -2.073 -9.680 -4.174 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -2.656 -7.463 -2.122 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.699 -7.294 -3.865 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -4.465 -9.365 -2.513 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -4.963 -7.685 -2.539 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -5.575 -7.837 -4.756 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -4.005 -8.474 -5.203 1.00 1.00 H new ATOM 0 HE ARG A 202 -5.442 -10.538 -3.720 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -4.035 -10.524 -6.550 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -5.391 -11.047 -7.556 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -7.783 -10.430 -5.080 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -7.496 -10.993 -6.729 1.00 1.00 H new ATOM 70 N GLU A 203 -0.043 -7.899 -3.790 1.00 1.00 N ATOM 71 CA GLU A 203 1.378 -7.465 -3.658 1.00 1.00 C ATOM 72 C GLU A 203 1.438 -5.946 -3.482 1.00 1.00 C ATOM 73 O GLU A 203 1.132 -5.193 -4.387 1.00 1.00 O ATOM 74 CB GLU A 203 2.046 -7.881 -4.969 1.00 1.00 C ATOM 75 CG GLU A 203 3.476 -8.348 -4.687 1.00 1.00 C ATOM 76 CD GLU A 203 4.181 -8.661 -6.007 1.00 1.00 C ATOM 77 OE1 GLU A 203 3.547 -9.245 -6.871 1.00 1.00 O ATOM 78 OE2 GLU A 203 5.345 -8.312 -6.131 1.00 1.00 O ATOM 0 H GLU A 203 -0.577 -7.420 -4.515 1.00 1.00 H new ATOM 0 HA GLU A 203 1.873 -7.911 -2.795 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.477 -8.682 -5.441 1.00 1.00 H new ATOM 0 HB3 GLU A 203 2.056 -7.043 -5.666 1.00 1.00 H new ATOM 0 HG2 GLU A 203 4.022 -7.575 -4.145 1.00 1.00 H new ATOM 0 HG3 GLU A 203 3.462 -9.233 -4.051 1.00 1.00 H new ATOM 85 N CYS A 204 1.827 -5.487 -2.324 1.00 1.00 N ATOM 86 CA CYS A 204 1.903 -4.020 -2.091 1.00 1.00 C ATOM 87 C CYS A 204 2.693 -3.349 -3.214 1.00 1.00 C ATOM 88 O CYS A 204 3.900 -3.466 -3.294 1.00 1.00 O ATOM 89 CB CYS A 204 2.632 -3.874 -0.762 1.00 1.00 C ATOM 90 SG CYS A 204 2.560 -2.156 -0.212 1.00 1.00 S ATOM 0 H CYS A 204 2.096 -6.067 -1.529 1.00 1.00 H new ATOM 0 HA CYS A 204 0.920 -3.550 -2.071 1.00 1.00 H new ATOM 0 HB2 CYS A 204 2.178 -4.524 -0.014 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.670 -4.188 -0.870 1.00 1.00 H new ATOM 95 N VAL A 205 2.023 -2.642 -4.079 1.00 1.00 N ATOM 96 CA VAL A 205 2.734 -1.957 -5.192 1.00 1.00 C ATOM 97 C VAL A 205 3.915 -1.143 -4.653 1.00 1.00 C ATOM 98 O VAL A 205 4.812 -0.777 -5.384 1.00 1.00 O ATOM 99 CB VAL A 205 1.682 -1.039 -5.813 1.00 1.00 C ATOM 100 CG1 VAL A 205 0.511 -1.882 -6.323 1.00 1.00 C ATOM 101 CG2 VAL A 205 1.175 -0.056 -4.755 1.00 1.00 C ATOM 0 H VAL A 205 1.012 -2.509 -4.063 1.00 1.00 H new ATOM 0 HA VAL A 205 3.147 -2.659 -5.917 1.00 1.00 H new ATOM 0 HB VAL A 205 2.124 -0.487 -6.642 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -0.241 -1.229 -6.767 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.869 -2.586 -7.074 1.00 1.00 H new ATOM 0 HG13 VAL A 205 0.069 -2.432 -5.492 1.00 1.00 H new ATOM 0 HG21 VAL A 205 0.425 0.599 -5.197 1.00 1.00 H new ATOM 0 HG22 VAL A 205 0.731 -0.609 -3.927 1.00 1.00 H new ATOM 0 HG23 VAL A 205 2.008 0.543 -4.386 1.00 1.00 H new ATOM 111 N ASN A 206 3.919 -0.847 -3.379 1.00 1.00 N ATOM 112 CA ASN A 206 5.038 -0.048 -2.805 1.00 1.00 C ATOM 113 C ASN A 206 6.163 -0.949 -2.281 1.00 1.00 C ATOM 114 O ASN A 206 7.305 -0.802 -2.667 1.00 1.00 O ATOM 115 CB ASN A 206 4.409 0.742 -1.658 1.00 1.00 C ATOM 116 CG ASN A 206 3.857 2.062 -2.196 1.00 1.00 C ATOM 117 OD1 ASN A 206 2.680 2.339 -2.073 1.00 1.00 O ATOM 118 ND2 ASN A 206 4.664 2.895 -2.795 1.00 1.00 N ATOM 0 H ASN A 206 3.197 -1.124 -2.714 1.00 1.00 H new ATOM 0 HA ASN A 206 5.494 0.597 -3.556 1.00 1.00 H new ATOM 0 HB2 ASN A 206 3.610 0.162 -1.197 1.00 1.00 H new ATOM 0 HB3 ASN A 206 5.151 0.934 -0.883 1.00 1.00 H new ATOM 0 HD21 ASN A 206 4.307 3.778 -3.160 1.00 1.00 H new ATOM 0 HD22 ASN A 206 5.652 2.663 -2.898 1.00 1.00 H new ATOM 125 N CYS A 207 5.872 -1.863 -1.387 1.00 1.00 N ATOM 126 CA CYS A 207 6.958 -2.719 -0.845 1.00 1.00 C ATOM 127 C CYS A 207 6.710 -4.213 -1.137 1.00 1.00 C ATOM 128 O CYS A 207 7.516 -5.058 -0.799 1.00 1.00 O ATOM 129 CB CYS A 207 6.961 -2.405 0.653 1.00 1.00 C ATOM 130 SG CYS A 207 5.685 -3.352 1.516 1.00 1.00 S ATOM 0 H CYS A 207 4.940 -2.048 -1.017 1.00 1.00 H new ATOM 0 HA CYS A 207 7.925 -2.516 -1.306 1.00 1.00 H new ATOM 0 HB2 CYS A 207 7.939 -2.637 1.075 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.793 -1.339 0.805 1.00 1.00 H new ATOM 135 N GLY A 208 5.622 -4.542 -1.787 1.00 1.00 N ATOM 136 CA GLY A 208 5.352 -5.977 -2.130 1.00 1.00 C ATOM 137 C GLY A 208 4.888 -6.757 -0.897 1.00 1.00 C ATOM 138 O GLY A 208 4.785 -7.968 -0.921 1.00 1.00 O ATOM 0 H GLY A 208 4.908 -3.882 -2.096 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.590 -6.032 -2.908 1.00 1.00 H new ATOM 0 HA3 GLY A 208 6.255 -6.434 -2.536 1.00 1.00 H new ATOM 142 N ALA A 209 4.603 -6.079 0.171 1.00 1.00 N ATOM 143 CA ALA A 209 4.141 -6.774 1.404 1.00 1.00 C ATOM 144 C ALA A 209 3.021 -7.763 1.071 1.00 1.00 C ATOM 145 O ALA A 209 1.912 -7.375 0.757 1.00 1.00 O ATOM 146 CB ALA A 209 3.620 -5.654 2.302 1.00 1.00 C ATOM 0 H ALA A 209 4.670 -5.064 0.247 1.00 1.00 H new ATOM 0 HA ALA A 209 4.934 -7.350 1.880 1.00 1.00 H new ATOM 0 HB1 ALA A 209 3.257 -6.078 3.239 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.426 -4.950 2.510 1.00 1.00 H new ATOM 0 HB3 ALA A 209 2.805 -5.134 1.799 1.00 1.00 H new ATOM 152 N THR A 210 3.300 -9.035 1.136 1.00 1.00 N ATOM 153 CA THR A 210 2.249 -10.047 0.822 1.00 1.00 C ATOM 154 C THR A 210 1.741 -10.704 2.110 1.00 1.00 C ATOM 155 O THR A 210 1.009 -11.675 2.074 1.00 1.00 O ATOM 156 CB THR A 210 2.945 -11.081 -0.064 1.00 1.00 C ATOM 157 OG1 THR A 210 3.540 -10.425 -1.176 1.00 1.00 O ATOM 158 CG2 THR A 210 1.921 -12.102 -0.558 1.00 1.00 C ATOM 0 H THR A 210 4.209 -9.419 1.393 1.00 1.00 H new ATOM 0 HA THR A 210 1.385 -9.601 0.330 1.00 1.00 H new ATOM 0 HB THR A 210 3.717 -11.594 0.510 1.00 1.00 H new ATOM 0 HG1 THR A 210 4.021 -9.629 -0.867 1.00 1.00 H new ATOM 0 HG21 THR A 210 2.417 -12.839 -1.189 1.00 1.00 H new ATOM 0 HG22 THR A 210 1.466 -12.604 0.296 1.00 1.00 H new ATOM 0 HG23 THR A 210 1.148 -11.593 -1.134 1.00 1.00 H new ATOM 166 N ALA A 211 2.120 -10.186 3.245 1.00 1.00 N ATOM 167 CA ALA A 211 1.656 -10.786 4.529 1.00 1.00 C ATOM 168 C ALA A 211 0.787 -9.787 5.297 1.00 1.00 C ATOM 169 O ALA A 211 0.425 -10.010 6.436 1.00 1.00 O ATOM 170 CB ALA A 211 2.935 -11.094 5.309 1.00 1.00 C ATOM 0 H ALA A 211 2.730 -9.374 3.340 1.00 1.00 H new ATOM 0 HA ALA A 211 1.050 -11.678 4.371 1.00 1.00 H new ATOM 0 HB1 ALA A 211 2.677 -11.540 6.270 1.00 1.00 H new ATOM 0 HB2 ALA A 211 3.550 -11.791 4.739 1.00 1.00 H new ATOM 0 HB3 ALA A 211 3.491 -10.171 5.475 1.00 1.00 H new ATOM 176 N THR A 212 0.449 -8.688 4.683 1.00 1.00 N ATOM 177 CA THR A 212 -0.396 -7.672 5.375 1.00 1.00 C ATOM 178 C THR A 212 -1.686 -8.314 5.894 1.00 1.00 C ATOM 179 O THR A 212 -2.201 -9.241 5.301 1.00 1.00 O ATOM 180 CB THR A 212 -0.712 -6.633 4.297 1.00 1.00 C ATOM 181 OG1 THR A 212 -1.438 -5.557 4.877 1.00 1.00 O ATOM 182 CG2 THR A 212 -1.550 -7.283 3.193 1.00 1.00 C ATOM 0 H THR A 212 0.721 -8.448 3.730 1.00 1.00 H new ATOM 0 HA THR A 212 0.106 -7.234 6.238 1.00 1.00 H new ATOM 0 HB THR A 212 0.217 -6.255 3.870 1.00 1.00 H new ATOM 0 HG1 THR A 212 -2.333 -5.514 4.479 1.00 1.00 H new ATOM 0 HG21 THR A 212 -1.776 -6.544 2.425 1.00 1.00 H new ATOM 0 HG22 THR A 212 -0.992 -8.108 2.750 1.00 1.00 H new ATOM 0 HG23 THR A 212 -2.480 -7.661 3.617 1.00 1.00 H new ATOM 190 N PRO A 213 -2.166 -7.790 6.990 1.00 1.00 N ATOM 191 CA PRO A 213 -3.415 -8.307 7.603 1.00 1.00 C ATOM 192 C PRO A 213 -4.626 -7.888 6.763 1.00 1.00 C ATOM 193 O PRO A 213 -5.671 -8.504 6.810 1.00 1.00 O ATOM 194 CB PRO A 213 -3.445 -7.636 8.973 1.00 1.00 C ATOM 195 CG PRO A 213 -2.631 -6.391 8.812 1.00 1.00 C ATOM 196 CD PRO A 213 -1.595 -6.676 7.756 1.00 1.00 C ATOM 0 HA PRO A 213 -3.447 -9.395 7.668 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -4.466 -7.404 9.276 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -3.024 -8.286 9.740 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -3.262 -5.553 8.517 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -2.156 -6.116 9.754 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -1.419 -5.806 7.124 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -0.637 -6.946 8.200 1.00 1.00 H new ATOM 204 N LEU A 214 -4.484 -6.845 5.993 1.00 1.00 N ATOM 205 CA LEU A 214 -5.619 -6.378 5.143 1.00 1.00 C ATOM 206 C LEU A 214 -5.095 -5.450 4.043 1.00 1.00 C ATOM 207 O LEU A 214 -4.122 -4.746 4.224 1.00 1.00 O ATOM 208 CB LEU A 214 -6.543 -5.620 6.095 1.00 1.00 C ATOM 209 CG LEU A 214 -7.943 -5.534 5.487 1.00 1.00 C ATOM 210 CD1 LEU A 214 -8.613 -6.908 5.548 1.00 1.00 C ATOM 211 CD2 LEU A 214 -8.778 -4.524 6.277 1.00 1.00 C ATOM 0 H LEU A 214 -3.629 -6.294 5.914 1.00 1.00 H new ATOM 0 HA LEU A 214 -6.137 -7.200 4.649 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -6.584 -6.127 7.059 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -6.152 -4.619 6.278 1.00 1.00 H new ATOM 0 HG LEU A 214 -7.869 -5.213 4.448 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -9.611 -6.846 5.114 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -8.018 -7.628 4.987 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -8.688 -7.230 6.587 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -9.777 -4.461 5.845 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -8.851 -4.846 7.316 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -8.301 -3.545 6.233 1.00 1.00 H new ATOM 223 N TRP A 215 -5.728 -5.447 2.901 1.00 1.00 N ATOM 224 CA TRP A 215 -5.257 -4.574 1.790 1.00 1.00 C ATOM 225 C TRP A 215 -6.139 -3.325 1.672 1.00 1.00 C ATOM 226 O TRP A 215 -7.075 -3.138 2.425 1.00 1.00 O ATOM 227 CB TRP A 215 -5.384 -5.444 0.542 1.00 1.00 C ATOM 228 CG TRP A 215 -4.410 -6.576 0.627 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.655 -7.767 1.221 1.00 1.00 C ATOM 230 CD2 TRP A 215 -3.044 -6.645 0.119 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.529 -8.562 1.110 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.510 -7.916 0.439 1.00 1.00 C ATOM 233 CE3 TRP A 215 -2.226 -5.740 -0.584 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -1.209 -8.276 0.079 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -0.917 -6.100 -0.947 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.412 -7.364 -0.616 1.00 1.00 C ATOM 0 H TRP A 215 -6.551 -6.012 2.690 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.239 -4.217 1.945 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.400 -5.829 0.455 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -5.191 -4.849 -0.351 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.579 -8.050 1.703 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.460 -9.510 1.479 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.607 -4.764 -0.846 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -0.823 -9.251 0.336 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.297 -5.398 -1.484 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.595 -7.633 -0.899 1.00 1.00 H new ATOM 247 N ARG A 216 -5.840 -2.470 0.732 1.00 1.00 N ATOM 248 CA ARG A 216 -6.650 -1.229 0.555 1.00 1.00 C ATOM 249 C ARG A 216 -6.136 -0.449 -0.661 1.00 1.00 C ATOM 250 O ARG A 216 -5.000 -0.021 -0.696 1.00 1.00 O ATOM 251 CB ARG A 216 -6.434 -0.429 1.842 1.00 1.00 C ATOM 252 CG ARG A 216 -7.722 0.310 2.207 1.00 1.00 C ATOM 253 CD ARG A 216 -8.222 1.092 0.992 1.00 1.00 C ATOM 254 NE ARG A 216 -8.850 2.319 1.557 1.00 1.00 N ATOM 255 CZ ARG A 216 -9.841 2.893 0.930 1.00 1.00 C ATOM 256 NH1 ARG A 216 -10.131 2.545 -0.293 1.00 1.00 N ATOM 257 NH2 ARG A 216 -10.538 3.822 1.527 1.00 1.00 N ATOM 0 H ARG A 216 -5.066 -2.577 0.076 1.00 1.00 H new ATOM 0 HA ARG A 216 -7.706 -1.436 0.383 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -6.143 -1.097 2.653 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -5.620 0.283 1.708 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -8.482 -0.400 2.534 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -7.541 0.989 3.040 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -7.402 1.342 0.319 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -8.941 0.510 0.416 1.00 1.00 H new ATOM 0 HE ARG A 216 -8.506 2.711 2.434 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -9.583 1.823 -0.761 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -10.906 2.995 -0.781 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -10.308 4.098 2.482 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -11.313 4.272 1.039 1.00 1.00 H new ATOM 271 N ARG A 217 -6.954 -0.275 -1.664 1.00 1.00 N ATOM 272 CA ARG A 217 -6.495 0.461 -2.875 1.00 1.00 C ATOM 273 C ARG A 217 -6.798 1.956 -2.752 1.00 1.00 C ATOM 274 O ARG A 217 -7.615 2.375 -1.955 1.00 1.00 O ATOM 275 CB ARG A 217 -7.284 -0.148 -4.034 1.00 1.00 C ATOM 276 CG ARG A 217 -7.313 -1.676 -3.912 1.00 1.00 C ATOM 277 CD ARG A 217 -8.764 -2.163 -3.956 1.00 1.00 C ATOM 278 NE ARG A 217 -9.239 -1.831 -5.328 1.00 1.00 N ATOM 279 CZ ARG A 217 -10.226 -2.502 -5.858 1.00 1.00 C ATOM 280 NH1 ARG A 217 -11.456 -2.216 -5.532 1.00 1.00 N ATOM 281 NH2 ARG A 217 -9.981 -3.459 -6.710 1.00 1.00 N ATOM 0 H ARG A 217 -7.917 -0.610 -1.697 1.00 1.00 H new ATOM 0 HA ARG A 217 -5.418 0.372 -3.017 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -8.301 0.243 -4.036 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -6.831 0.140 -4.983 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -6.742 -2.127 -4.723 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -6.842 -1.986 -2.979 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -8.827 -3.234 -3.765 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -9.370 -1.668 -3.198 1.00 1.00 H new ATOM 0 HE ARG A 217 -8.793 -1.079 -5.854 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -11.646 -1.469 -4.864 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -12.228 -2.739 -5.945 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -9.018 -3.683 -6.962 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -10.752 -3.983 -7.124 1.00 1.00 H new ATOM 295 N ASP A 218 -6.142 2.760 -3.542 1.00 1.00 N ATOM 296 CA ASP A 218 -6.370 4.226 -3.489 1.00 1.00 C ATOM 297 C ASP A 218 -6.886 4.726 -4.844 1.00 1.00 C ATOM 298 O ASP A 218 -7.706 4.092 -5.478 1.00 1.00 O ATOM 299 CB ASP A 218 -4.992 4.808 -3.190 1.00 1.00 C ATOM 300 CG ASP A 218 -4.028 4.447 -4.321 1.00 1.00 C ATOM 301 OD1 ASP A 218 -3.450 3.374 -4.262 1.00 1.00 O ATOM 302 OD2 ASP A 218 -3.883 5.251 -5.227 1.00 1.00 O ATOM 0 H ASP A 218 -5.451 2.458 -4.228 1.00 1.00 H new ATOM 0 HA ASP A 218 -7.112 4.514 -2.744 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -5.058 5.891 -3.086 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -4.619 4.419 -2.242 1.00 1.00 H new ATOM 307 N ARG A 219 -6.413 5.859 -5.290 1.00 1.00 N ATOM 308 CA ARG A 219 -6.874 6.403 -6.599 1.00 1.00 C ATOM 309 C ARG A 219 -6.433 5.493 -7.747 1.00 1.00 C ATOM 310 O ARG A 219 -7.103 5.379 -8.754 1.00 1.00 O ATOM 311 CB ARG A 219 -6.187 7.761 -6.726 1.00 1.00 C ATOM 312 CG ARG A 219 -7.238 8.869 -6.759 1.00 1.00 C ATOM 313 CD ARG A 219 -7.016 9.822 -5.582 1.00 1.00 C ATOM 314 NE ARG A 219 -6.604 11.113 -6.202 1.00 1.00 N ATOM 315 CZ ARG A 219 -7.010 12.243 -5.690 1.00 1.00 C ATOM 316 NH1 ARG A 219 -6.373 12.767 -4.678 1.00 1.00 N ATOM 317 NH2 ARG A 219 -8.052 12.848 -6.190 1.00 1.00 N ATOM 0 H ARG A 219 -5.725 6.433 -4.802 1.00 1.00 H new ATOM 0 HA ARG A 219 -7.961 6.476 -6.645 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -5.508 7.916 -5.887 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -5.584 7.791 -7.634 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -7.175 9.416 -7.700 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -8.238 8.438 -6.707 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -7.925 9.940 -4.993 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -6.247 9.445 -4.908 1.00 1.00 H new ATOM 0 HE ARG A 219 -6.004 11.114 -7.027 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -5.558 12.293 -4.288 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -6.690 13.650 -4.278 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -8.549 12.438 -6.981 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -8.370 13.731 -5.790 1.00 1.00 H new ATOM 331 N THR A 220 -5.302 4.860 -7.611 1.00 1.00 N ATOM 332 CA THR A 220 -4.811 3.978 -8.704 1.00 1.00 C ATOM 333 C THR A 220 -5.338 2.549 -8.525 1.00 1.00 C ATOM 334 O THR A 220 -5.004 1.655 -9.276 1.00 1.00 O ATOM 335 CB THR A 220 -3.288 4.019 -8.584 1.00 1.00 C ATOM 336 OG1 THR A 220 -2.894 3.412 -7.361 1.00 1.00 O ATOM 337 CG2 THR A 220 -2.817 5.475 -8.607 1.00 1.00 C ATOM 0 H THR A 220 -4.697 4.915 -6.791 1.00 1.00 H new ATOM 0 HA THR A 220 -5.152 4.308 -9.686 1.00 1.00 H new ATOM 0 HB THR A 220 -2.841 3.478 -9.418 1.00 1.00 H new ATOM 0 HG1 THR A 220 -1.940 3.576 -7.207 1.00 1.00 H new ATOM 0 HG21 THR A 220 -1.731 5.507 -8.522 1.00 1.00 H new ATOM 0 HG22 THR A 220 -3.121 5.941 -9.544 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.263 6.015 -7.772 1.00 1.00 H new ATOM 345 N GLY A 221 -6.172 2.334 -7.546 1.00 1.00 N ATOM 346 CA GLY A 221 -6.734 0.972 -7.327 1.00 1.00 C ATOM 347 C GLY A 221 -5.617 -0.026 -7.012 1.00 1.00 C ATOM 348 O GLY A 221 -5.756 -1.213 -7.232 1.00 1.00 O ATOM 0 H GLY A 221 -6.489 3.045 -6.887 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.450 0.996 -6.506 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -7.278 0.650 -8.215 1.00 1.00 H new ATOM 352 N HIS A 222 -4.511 0.435 -6.492 1.00 1.00 N ATOM 353 CA HIS A 222 -3.403 -0.508 -6.160 1.00 1.00 C ATOM 354 C HIS A 222 -3.736 -1.257 -4.865 1.00 1.00 C ATOM 355 O HIS A 222 -4.837 -1.174 -4.362 1.00 1.00 O ATOM 356 CB HIS A 222 -2.166 0.372 -5.980 1.00 1.00 C ATOM 357 CG HIS A 222 -1.634 0.767 -7.331 1.00 1.00 C ATOM 358 ND1 HIS A 222 -2.444 0.832 -8.453 1.00 1.00 N ATOM 359 CD2 HIS A 222 -0.375 1.117 -7.756 1.00 1.00 C ATOM 360 CE1 HIS A 222 -1.673 1.210 -9.490 1.00 1.00 C ATOM 361 NE2 HIS A 222 -0.403 1.397 -9.120 1.00 1.00 N ATOM 0 H HIS A 222 -4.327 1.416 -6.284 1.00 1.00 H new ATOM 0 HA HIS A 222 -3.246 -1.259 -6.934 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.419 1.261 -5.402 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.402 -0.166 -5.419 1.00 1.00 H new ATOM 0 HD1 HIS A 222 -3.443 0.630 -8.487 1.00 1.00 H new ATOM 0 HD2 HIS A 222 0.502 1.167 -7.128 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -2.037 1.345 -10.498 1.00 1.00 H new ATOM 369 N TYR A 223 -2.804 -1.993 -4.325 1.00 1.00 N ATOM 370 CA TYR A 223 -3.093 -2.742 -3.071 1.00 1.00 C ATOM 371 C TYR A 223 -1.931 -2.609 -2.082 1.00 1.00 C ATOM 372 O TYR A 223 -1.168 -3.533 -1.888 1.00 1.00 O ATOM 373 CB TYR A 223 -3.238 -4.194 -3.517 1.00 1.00 C ATOM 374 CG TYR A 223 -4.662 -4.462 -3.937 1.00 1.00 C ATOM 375 CD1 TYR A 223 -5.113 -4.042 -5.195 1.00 1.00 C ATOM 376 CD2 TYR A 223 -5.534 -5.132 -3.070 1.00 1.00 C ATOM 377 CE1 TYR A 223 -6.434 -4.292 -5.584 1.00 1.00 C ATOM 378 CE2 TYR A 223 -6.856 -5.382 -3.461 1.00 1.00 C ATOM 379 CZ TYR A 223 -7.305 -4.963 -4.717 1.00 1.00 C ATOM 380 OH TYR A 223 -8.607 -5.209 -5.102 1.00 1.00 O ATOM 0 H TYR A 223 -1.861 -2.108 -4.695 1.00 1.00 H new ATOM 0 HA TYR A 223 -3.982 -2.367 -2.564 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.560 -4.398 -4.346 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -2.957 -4.863 -2.704 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -4.441 -3.525 -5.865 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -5.187 -5.456 -2.100 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -6.782 -3.967 -6.554 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -7.528 -5.899 -2.792 1.00 1.00 H new ATOM 0 HH TYR A 223 -9.076 -5.684 -4.385 1.00 1.00 H new ATOM 390 N LEU A 224 -1.787 -1.475 -1.452 1.00 1.00 N ATOM 391 CA LEU A 224 -0.668 -1.311 -0.480 1.00 1.00 C ATOM 392 C LEU A 224 -0.828 -2.307 0.675 1.00 1.00 C ATOM 393 O LEU A 224 -1.763 -3.082 0.710 1.00 1.00 O ATOM 394 CB LEU A 224 -0.776 0.126 0.030 1.00 1.00 C ATOM 395 CG LEU A 224 0.451 0.918 -0.419 1.00 1.00 C ATOM 396 CD1 LEU A 224 0.543 0.900 -1.946 1.00 1.00 C ATOM 397 CD2 LEU A 224 0.327 2.363 0.067 1.00 1.00 C ATOM 0 H LEU A 224 -2.390 -0.661 -1.567 1.00 1.00 H new ATOM 0 HA LEU A 224 0.303 -1.501 -0.937 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -1.684 0.592 -0.353 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -0.849 0.133 1.118 1.00 1.00 H new ATOM 0 HG LEU A 224 1.349 0.466 0.002 1.00 1.00 H new ATOM 0 HD11 LEU A 224 1.419 1.465 -2.264 1.00 1.00 H new ATOM 0 HD12 LEU A 224 0.630 -0.130 -2.293 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -0.354 1.351 -2.370 1.00 1.00 H new ATOM 0 HD21 LEU A 224 1.201 2.930 -0.252 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -0.572 2.813 -0.355 1.00 1.00 H new ATOM 0 HD23 LEU A 224 0.263 2.377 1.155 1.00 1.00 H new ATOM 409 N CYS A 225 0.078 -2.298 1.615 1.00 1.00 N ATOM 410 CA CYS A 225 -0.027 -3.251 2.759 1.00 1.00 C ATOM 411 C CYS A 225 -0.337 -2.503 4.061 1.00 1.00 C ATOM 412 O CYS A 225 0.251 -2.768 5.092 1.00 1.00 O ATOM 413 CB CYS A 225 1.344 -3.924 2.840 1.00 1.00 C ATOM 414 SG CYS A 225 2.558 -2.748 3.490 1.00 1.00 S ATOM 0 H CYS A 225 0.885 -1.674 1.641 1.00 1.00 H new ATOM 0 HA CYS A 225 -0.831 -3.973 2.616 1.00 1.00 H new ATOM 0 HB2 CYS A 225 1.292 -4.802 3.484 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.650 -4.270 1.853 1.00 1.00 H new ATOM 419 N ASN A 226 -1.254 -1.576 4.028 1.00 1.00 N ATOM 420 CA ASN A 226 -1.594 -0.822 5.271 1.00 1.00 C ATOM 421 C ASN A 226 -0.407 0.046 5.707 1.00 1.00 C ATOM 422 O ASN A 226 -0.501 1.256 5.767 1.00 1.00 O ATOM 423 CB ASN A 226 -1.884 -1.900 6.320 1.00 1.00 C ATOM 424 CG ASN A 226 -2.904 -1.374 7.330 1.00 1.00 C ATOM 425 OD1 ASN A 226 -3.462 -0.310 7.150 1.00 1.00 O ATOM 426 ND2 ASN A 226 -3.172 -2.080 8.394 1.00 1.00 N ATOM 0 H ASN A 226 -1.782 -1.307 3.198 1.00 1.00 H new ATOM 0 HA ASN A 226 -2.441 -0.151 5.129 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -2.267 -2.798 5.836 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -0.963 -2.181 6.831 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -3.850 -1.739 9.075 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -2.703 -2.973 8.545 1.00 1.00 H new ATOM 433 N ALA A 227 0.705 -0.563 6.015 1.00 1.00 N ATOM 434 CA ALA A 227 1.894 0.226 6.452 1.00 1.00 C ATOM 435 C ALA A 227 2.224 1.313 5.426 1.00 1.00 C ATOM 436 O ALA A 227 2.396 2.468 5.764 1.00 1.00 O ATOM 437 CB ALA A 227 3.034 -0.790 6.538 1.00 1.00 C ATOM 0 H ALA A 227 0.843 -1.573 5.983 1.00 1.00 H new ATOM 0 HA ALA A 227 1.722 0.732 7.402 1.00 1.00 H new ATOM 0 HB1 ALA A 227 3.947 -0.286 6.854 1.00 1.00 H new ATOM 0 HB2 ALA A 227 2.778 -1.564 7.261 1.00 1.00 H new ATOM 0 HB3 ALA A 227 3.191 -1.245 5.560 1.00 1.00 H new ATOM 443 N CYS A 228 2.318 0.950 4.180 1.00 1.00 N ATOM 444 CA CYS A 228 2.640 1.959 3.130 1.00 1.00 C ATOM 445 C CYS A 228 1.464 2.920 2.930 1.00 1.00 C ATOM 446 O CYS A 228 1.631 4.036 2.481 1.00 1.00 O ATOM 447 CB CYS A 228 2.888 1.147 1.869 1.00 1.00 C ATOM 448 SG CYS A 228 4.406 0.174 2.051 1.00 1.00 S ATOM 0 H CYS A 228 2.186 -0.003 3.840 1.00 1.00 H new ATOM 0 HA CYS A 228 3.501 2.571 3.399 1.00 1.00 H new ATOM 0 HB2 CYS A 228 2.042 0.486 1.680 1.00 1.00 H new ATOM 0 HB3 CYS A 228 2.972 1.811 1.009 1.00 1.00 H new ATOM 453 N GLY A 229 0.273 2.495 3.259 1.00 1.00 N ATOM 454 CA GLY A 229 -0.912 3.381 3.085 1.00 1.00 C ATOM 455 C GLY A 229 -0.988 4.371 4.250 1.00 1.00 C ATOM 456 O GLY A 229 -1.551 5.441 4.132 1.00 1.00 O ATOM 0 H GLY A 229 0.071 1.571 3.641 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -0.840 3.920 2.140 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -1.823 2.783 3.042 1.00 1.00 H new ATOM 460 N LEU A 230 -0.424 4.023 5.374 1.00 1.00 N ATOM 461 CA LEU A 230 -0.463 4.944 6.546 1.00 1.00 C ATOM 462 C LEU A 230 -0.189 6.382 6.100 1.00 1.00 C ATOM 463 O LEU A 230 -0.994 7.270 6.307 1.00 1.00 O ATOM 464 CB LEU A 230 0.648 4.453 7.467 1.00 1.00 C ATOM 465 CG LEU A 230 0.068 4.144 8.848 1.00 1.00 C ATOM 466 CD1 LEU A 230 1.177 3.621 9.762 1.00 1.00 C ATOM 467 CD2 LEU A 230 -0.526 5.420 9.447 1.00 1.00 C ATOM 0 H LEU A 230 0.062 3.140 5.532 1.00 1.00 H new ATOM 0 HA LEU A 230 -1.435 4.944 7.039 1.00 1.00 H new ATOM 0 HB2 LEU A 230 1.114 3.561 7.049 1.00 1.00 H new ATOM 0 HB3 LEU A 230 1.428 5.210 7.550 1.00 1.00 H new ATOM 0 HG LEU A 230 -0.712 3.388 8.754 1.00 1.00 H new ATOM 0 HD11 LEU A 230 0.764 3.401 10.746 1.00 1.00 H new ATOM 0 HD12 LEU A 230 1.602 2.712 9.335 1.00 1.00 H new ATOM 0 HD13 LEU A 230 1.957 4.377 9.857 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -0.940 5.201 10.431 1.00 1.00 H new ATOM 0 HD22 LEU A 230 0.254 6.175 9.541 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -1.316 5.794 8.796 1.00 1.00 H new ATOM 479 N TYR A 231 0.938 6.618 5.488 1.00 1.00 N ATOM 480 CA TYR A 231 1.264 7.998 5.028 1.00 1.00 C ATOM 481 C TYR A 231 0.113 8.561 4.189 1.00 1.00 C ATOM 482 O TYR A 231 -0.242 9.717 4.302 1.00 1.00 O ATOM 483 CB TYR A 231 2.523 7.839 4.177 1.00 1.00 C ATOM 484 CG TYR A 231 3.311 9.127 4.191 1.00 1.00 C ATOM 485 CD1 TYR A 231 4.261 9.355 5.193 1.00 1.00 C ATOM 486 CD2 TYR A 231 3.095 10.091 3.199 1.00 1.00 C ATOM 487 CE1 TYR A 231 4.995 10.548 5.205 1.00 1.00 C ATOM 488 CE2 TYR A 231 3.828 11.283 3.210 1.00 1.00 C ATOM 489 CZ TYR A 231 4.778 11.511 4.213 1.00 1.00 C ATOM 490 OH TYR A 231 5.502 12.687 4.223 1.00 1.00 O ATOM 0 H TYR A 231 1.648 5.915 5.286 1.00 1.00 H new ATOM 0 HA TYR A 231 1.416 8.688 5.858 1.00 1.00 H new ATOM 0 HB2 TYR A 231 3.134 7.023 4.563 1.00 1.00 H new ATOM 0 HB3 TYR A 231 2.252 7.578 3.154 1.00 1.00 H new ATOM 0 HD1 TYR A 231 4.428 8.611 5.957 1.00 1.00 H new ATOM 0 HD2 TYR A 231 2.363 9.915 2.425 1.00 1.00 H new ATOM 0 HE1 TYR A 231 5.727 10.724 5.979 1.00 1.00 H new ATOM 0 HE2 TYR A 231 3.661 12.027 2.445 1.00 1.00 H new ATOM 0 HH TYR A 231 5.230 13.245 3.465 1.00 1.00 H new ATOM 500 N HIS A 232 -0.468 7.752 3.346 1.00 1.00 N ATOM 501 CA HIS A 232 -1.589 8.238 2.494 1.00 1.00 C ATOM 502 C HIS A 232 -2.832 8.506 3.347 1.00 1.00 C ATOM 503 O HIS A 232 -3.611 9.395 3.064 1.00 1.00 O ATOM 504 CB HIS A 232 -1.853 7.103 1.505 1.00 1.00 C ATOM 505 CG HIS A 232 -2.690 7.616 0.366 1.00 1.00 C ATOM 506 ND1 HIS A 232 -2.482 8.621 -0.546 1.00 1.00 N flip ATOM 507 CD2 HIS A 232 -3.926 7.071 0.055 1.00 1.00 C flip ATOM 508 CE1 HIS A 232 -3.570 8.702 -1.410 1.00 1.00 C flip ATOM 509 NE2 HIS A 232 -4.412 7.745 -1.004 1.00 1.00 N flip ATOM 0 H HIS A 232 -0.214 6.773 3.211 1.00 1.00 H new ATOM 0 HA HIS A 232 -1.346 9.173 1.990 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -0.910 6.708 1.128 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -2.365 6.282 2.006 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -1.656 9.218 -0.584 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -4.411 6.254 0.569 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -3.705 9.390 -2.232 1.00 1.00 H new ATOM 517 N LYS A 233 -3.028 7.742 4.385 1.00 1.00 N ATOM 518 CA LYS A 233 -4.225 7.951 5.250 1.00 1.00 C ATOM 519 C LYS A 233 -3.996 9.131 6.199 1.00 1.00 C ATOM 520 O LYS A 233 -4.926 9.679 6.758 1.00 1.00 O ATOM 521 CB LYS A 233 -4.378 6.649 6.038 1.00 1.00 C ATOM 522 CG LYS A 233 -4.378 5.463 5.071 1.00 1.00 C ATOM 523 CD LYS A 233 -5.794 4.892 4.960 1.00 1.00 C ATOM 524 CE LYS A 233 -5.813 3.463 5.510 1.00 1.00 C ATOM 525 NZ LYS A 233 -7.240 3.041 5.424 1.00 1.00 N ATOM 0 H LYS A 233 -2.412 6.982 4.673 1.00 1.00 H new ATOM 0 HA LYS A 233 -5.118 8.182 4.669 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -3.563 6.547 6.755 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -5.305 6.665 6.610 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -4.025 5.781 4.090 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -3.691 4.693 5.423 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -6.494 5.516 5.516 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -6.119 4.897 3.920 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -5.170 2.805 4.925 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -5.452 3.430 6.538 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -7.337 2.070 5.783 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -7.827 3.682 5.996 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -7.553 3.077 4.433 1.00 1.00 H new ATOM 539 N MET A 234 -2.766 9.526 6.388 1.00 1.00 N ATOM 540 CA MET A 234 -2.483 10.668 7.301 1.00 1.00 C ATOM 541 C MET A 234 -2.198 11.937 6.496 1.00 1.00 C ATOM 542 O MET A 234 -3.002 12.847 6.445 1.00 1.00 O ATOM 543 CB MET A 234 -1.244 10.243 8.091 1.00 1.00 C ATOM 544 CG MET A 234 -1.663 9.344 9.255 1.00 1.00 C ATOM 545 SD MET A 234 -0.997 10.009 10.802 1.00 1.00 S ATOM 546 CE MET A 234 -1.897 11.579 10.781 1.00 1.00 C ATOM 0 H MET A 234 -1.946 9.107 5.949 1.00 1.00 H new ATOM 0 HA MET A 234 -3.327 10.893 7.953 1.00 1.00 H new ATOM 0 HB2 MET A 234 -0.549 9.712 7.440 1.00 1.00 H new ATOM 0 HB3 MET A 234 -0.720 11.122 8.467 1.00 1.00 H new ATOM 0 HG2 MET A 234 -2.750 9.285 9.310 1.00 1.00 H new ATOM 0 HG3 MET A 234 -1.297 8.330 9.095 1.00 1.00 H new ATOM 0 HE1 MET A 234 -2.187 11.846 11.797 1.00 1.00 H new ATOM 0 HE2 MET A 234 -1.257 12.360 10.369 1.00 1.00 H new ATOM 0 HE3 MET A 234 -2.790 11.478 10.164 1.00 1.00 H new ATOM 556 N ASN A 235 -1.059 12.002 5.867 1.00 1.00 N ATOM 557 CA ASN A 235 -0.716 13.209 5.061 1.00 1.00 C ATOM 558 C ASN A 235 -1.526 13.228 3.764 1.00 1.00 C ATOM 559 O ASN A 235 -1.918 14.270 3.278 1.00 1.00 O ATOM 560 CB ASN A 235 0.776 13.074 4.758 1.00 1.00 C ATOM 561 CG ASN A 235 1.588 13.474 5.993 1.00 1.00 C ATOM 562 OD1 ASN A 235 1.260 14.430 6.665 1.00 1.00 O ATOM 563 ND2 ASN A 235 2.642 12.776 6.318 1.00 1.00 N ATOM 0 H ASN A 235 -0.348 11.271 5.875 1.00 1.00 H new ATOM 0 HA ASN A 235 -0.942 14.135 5.590 1.00 1.00 H new ATOM 0 HB2 ASN A 235 1.008 12.048 4.474 1.00 1.00 H new ATOM 0 HB3 ASN A 235 1.045 13.707 3.913 1.00 1.00 H new ATOM 0 HD21 ASN A 235 3.191 13.034 7.138 1.00 1.00 H new ATOM 0 HD22 ASN A 235 2.916 11.973 5.752 1.00 1.00 H new ATOM 570 N GLY A 236 -1.776 12.081 3.201 1.00 1.00 N ATOM 571 CA GLY A 236 -2.556 12.022 1.939 1.00 1.00 C ATOM 572 C GLY A 236 -1.615 11.747 0.766 1.00 1.00 C ATOM 573 O GLY A 236 -2.031 11.310 -0.288 1.00 1.00 O ATOM 0 H GLY A 236 -1.471 11.178 3.564 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -3.312 11.239 2.003 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -3.084 12.963 1.782 1.00 1.00 H new ATOM 577 N GLN A 237 -0.345 12.000 0.940 1.00 1.00 N ATOM 578 CA GLN A 237 0.620 11.751 -0.167 1.00 1.00 C ATOM 579 C GLN A 237 0.978 10.263 -0.232 1.00 1.00 C ATOM 580 O GLN A 237 0.434 9.453 0.492 1.00 1.00 O ATOM 581 CB GLN A 237 1.854 12.583 0.187 1.00 1.00 C ATOM 582 CG GLN A 237 1.593 14.051 -0.156 1.00 1.00 C ATOM 583 CD GLN A 237 2.827 14.644 -0.840 1.00 1.00 C ATOM 584 OE1 GLN A 237 3.411 14.025 -1.706 1.00 1.00 O ATOM 585 NE2 GLN A 237 3.251 15.825 -0.482 1.00 1.00 N ATOM 0 H GLN A 237 0.064 12.367 1.799 1.00 1.00 H new ATOM 0 HA GLN A 237 0.210 12.023 -1.140 1.00 1.00 H new ATOM 0 HB2 GLN A 237 2.083 12.481 1.248 1.00 1.00 H new ATOM 0 HB3 GLN A 237 2.722 12.218 -0.363 1.00 1.00 H new ATOM 0 HG2 GLN A 237 0.726 14.133 -0.812 1.00 1.00 H new ATOM 0 HG3 GLN A 237 1.362 14.611 0.750 1.00 1.00 H new ATOM 0 HE21 GLN A 237 2.760 16.344 0.246 1.00 1.00 H new ATOM 0 HE22 GLN A 237 4.074 16.229 -0.930 1.00 1.00 H new ATOM 594 N ASN A 238 1.888 9.899 -1.094 1.00 1.00 N ATOM 595 CA ASN A 238 2.279 8.465 -1.204 1.00 1.00 C ATOM 596 C ASN A 238 3.565 8.204 -0.416 1.00 1.00 C ATOM 597 O ASN A 238 4.405 9.070 -0.275 1.00 1.00 O ATOM 598 CB ASN A 238 2.509 8.234 -2.698 1.00 1.00 C ATOM 599 CG ASN A 238 1.166 8.021 -3.396 1.00 1.00 C ATOM 600 OD1 ASN A 238 0.889 6.948 -3.893 1.00 1.00 O ATOM 601 ND2 ASN A 238 0.313 9.008 -3.458 1.00 1.00 N ATOM 0 H ASN A 238 2.377 10.532 -1.726 1.00 1.00 H new ATOM 0 HA ASN A 238 1.519 7.797 -0.799 1.00 1.00 H new ATOM 0 HB2 ASN A 238 3.025 9.090 -3.133 1.00 1.00 H new ATOM 0 HB3 ASN A 238 3.150 7.365 -2.848 1.00 1.00 H new ATOM 0 HD21 ASN A 238 -0.585 8.877 -3.924 1.00 1.00 H new ATOM 0 HD22 ASN A 238 0.545 9.909 -3.041 1.00 1.00 H new ATOM 608 N ARG A 239 3.726 7.015 0.097 1.00 1.00 N ATOM 609 CA ARG A 239 4.959 6.698 0.874 1.00 1.00 C ATOM 610 C ARG A 239 6.003 6.042 -0.035 1.00 1.00 C ATOM 611 O ARG A 239 5.824 4.927 -0.482 1.00 1.00 O ATOM 612 CB ARG A 239 4.502 5.720 1.957 1.00 1.00 C ATOM 613 CG ARG A 239 5.285 5.982 3.246 1.00 1.00 C ATOM 614 CD ARG A 239 5.200 4.752 4.153 1.00 1.00 C ATOM 615 NE ARG A 239 4.353 5.180 5.302 1.00 1.00 N ATOM 616 CZ ARG A 239 4.906 5.465 6.449 1.00 1.00 C ATOM 617 NH1 ARG A 239 5.842 6.372 6.514 1.00 1.00 N ATOM 618 NH2 ARG A 239 4.521 4.844 7.530 1.00 1.00 N ATOM 0 H ARG A 239 3.058 6.249 0.012 1.00 1.00 H new ATOM 0 HA ARG A 239 5.422 7.589 1.297 1.00 1.00 H new ATOM 0 HB2 ARG A 239 3.433 5.835 2.138 1.00 1.00 H new ATOM 0 HB3 ARG A 239 4.660 4.694 1.625 1.00 1.00 H new ATOM 0 HG2 ARG A 239 6.326 6.204 3.013 1.00 1.00 H new ATOM 0 HG3 ARG A 239 4.880 6.854 3.759 1.00 1.00 H new ATOM 0 HD2 ARG A 239 4.757 3.905 3.629 1.00 1.00 H new ATOM 0 HD3 ARG A 239 6.189 4.438 4.487 1.00 1.00 H new ATOM 0 HE ARG A 239 3.341 5.250 5.192 1.00 1.00 H new ATOM 0 HH11 ARG A 239 6.141 6.858 5.668 1.00 1.00 H new ATOM 0 HH12 ARG A 239 6.275 6.595 7.410 1.00 1.00 H new ATOM 0 HH21 ARG A 239 3.788 4.136 7.478 1.00 1.00 H new ATOM 0 HH22 ARG A 239 4.953 5.066 8.427 1.00 1.00 H new ATOM 632 N PRO A 240 7.065 6.763 -0.278 1.00 1.00 N ATOM 633 CA PRO A 240 8.154 6.245 -1.143 1.00 1.00 C ATOM 634 C PRO A 240 8.948 5.160 -0.411 1.00 1.00 C ATOM 635 O PRO A 240 8.788 4.956 0.776 1.00 1.00 O ATOM 636 CB PRO A 240 9.023 7.472 -1.401 1.00 1.00 C ATOM 637 CG PRO A 240 8.759 8.384 -0.245 1.00 1.00 C ATOM 638 CD PRO A 240 7.353 8.111 0.225 1.00 1.00 C ATOM 0 HA PRO A 240 7.789 5.787 -2.062 1.00 1.00 H new ATOM 0 HB2 PRO A 240 10.078 7.203 -1.459 1.00 1.00 H new ATOM 0 HB3 PRO A 240 8.763 7.948 -2.347 1.00 1.00 H new ATOM 0 HG2 PRO A 240 9.475 8.205 0.558 1.00 1.00 H new ATOM 0 HG3 PRO A 240 8.869 9.426 -0.544 1.00 1.00 H new ATOM 0 HD2 PRO A 240 7.280 8.155 1.312 1.00 1.00 H new ATOM 0 HD3 PRO A 240 6.650 8.844 -0.172 1.00 1.00 H new ATOM 646 N LEU A 241 9.801 4.465 -1.108 1.00 1.00 N ATOM 647 CA LEU A 241 10.601 3.397 -0.456 1.00 1.00 C ATOM 648 C LEU A 241 12.023 3.892 -0.180 1.00 1.00 C ATOM 649 O LEU A 241 12.294 4.491 0.843 1.00 1.00 O ATOM 650 CB LEU A 241 10.613 2.237 -1.454 1.00 1.00 C ATOM 651 CG LEU A 241 9.249 1.538 -1.455 1.00 1.00 C ATOM 652 CD1 LEU A 241 8.834 1.215 -0.019 1.00 1.00 C ATOM 653 CD2 LEU A 241 8.205 2.457 -2.094 1.00 1.00 C ATOM 0 H LEU A 241 9.978 4.592 -2.104 1.00 1.00 H new ATOM 0 HA LEU A 241 10.181 3.097 0.504 1.00 1.00 H new ATOM 0 HB2 LEU A 241 10.843 2.607 -2.453 1.00 1.00 H new ATOM 0 HB3 LEU A 241 11.396 1.526 -1.190 1.00 1.00 H new ATOM 0 HG LEU A 241 9.319 0.613 -2.027 1.00 1.00 H new ATOM 0 HD11 LEU A 241 7.864 0.718 -0.024 1.00 1.00 H new ATOM 0 HD12 LEU A 241 9.576 0.558 0.435 1.00 1.00 H new ATOM 0 HD13 LEU A 241 8.766 2.138 0.556 1.00 1.00 H new ATOM 0 HD21 LEU A 241 7.235 1.960 -2.095 1.00 1.00 H new ATOM 0 HD22 LEU A 241 8.138 3.383 -1.523 1.00 1.00 H new ATOM 0 HD23 LEU A 241 8.498 2.683 -3.119 1.00 1.00 H new ATOM 665 N ILE A 242 12.937 3.645 -1.080 1.00 1.00 N ATOM 666 CA ILE A 242 14.336 4.097 -0.867 1.00 1.00 C ATOM 667 C ILE A 242 14.572 5.442 -1.562 1.00 1.00 C ATOM 668 O ILE A 242 15.275 6.295 -1.059 1.00 1.00 O ATOM 669 CB ILE A 242 15.203 3.007 -1.496 1.00 1.00 C ATOM 670 CG1 ILE A 242 15.135 1.744 -0.635 1.00 1.00 C ATOM 671 CG2 ILE A 242 16.652 3.488 -1.581 1.00 1.00 C ATOM 672 CD1 ILE A 242 15.675 2.051 0.763 1.00 1.00 C ATOM 0 H ILE A 242 12.771 3.148 -1.955 1.00 1.00 H new ATOM 0 HA ILE A 242 14.567 4.243 0.188 1.00 1.00 H new ATOM 0 HB ILE A 242 14.837 2.786 -2.499 1.00 1.00 H new ATOM 0 HG12 ILE A 242 14.106 1.390 -0.570 1.00 1.00 H new ATOM 0 HG13 ILE A 242 15.718 0.946 -1.095 1.00 1.00 H new ATOM 0 HG21 ILE A 242 17.268 2.709 -2.030 1.00 1.00 H new ATOM 0 HG22 ILE A 242 16.701 4.388 -2.194 1.00 1.00 H new ATOM 0 HG23 ILE A 242 17.021 3.710 -0.580 1.00 1.00 H new ATOM 0 HD11 ILE A 242 15.627 1.152 1.377 1.00 1.00 H new ATOM 0 HD12 ILE A 242 16.710 2.384 0.688 1.00 1.00 H new ATOM 0 HD13 ILE A 242 15.073 2.836 1.221 1.00 1.00 H new ATOM 684 N ARG A 243 13.993 5.634 -2.716 1.00 1.00 N ATOM 685 CA ARG A 243 14.188 6.922 -3.442 1.00 1.00 C ATOM 686 C ARG A 243 12.975 7.222 -4.327 1.00 1.00 C ATOM 687 O ARG A 243 12.649 8.389 -4.475 1.00 1.00 O ATOM 688 CB ARG A 243 15.432 6.705 -4.297 1.00 1.00 C ATOM 689 CG ARG A 243 16.486 7.755 -3.944 1.00 1.00 C ATOM 690 CD ARG A 243 16.828 8.573 -5.191 1.00 1.00 C ATOM 691 NE ARG A 243 16.120 9.870 -5.006 1.00 1.00 N ATOM 692 CZ ARG A 243 16.191 10.789 -5.930 1.00 1.00 C ATOM 693 NH1 ARG A 243 16.184 10.447 -7.190 1.00 1.00 N ATOM 694 NH2 ARG A 243 16.269 12.047 -5.596 1.00 1.00 N ATOM 695 OXT ARG A 243 12.393 6.282 -4.842 1.00 0.00 O ATOM 0 H ARG A 243 13.394 4.956 -3.187 1.00 1.00 H new ATOM 0 HA ARG A 243 14.300 7.767 -2.762 1.00 1.00 H new ATOM 0 HB2 ARG A 243 15.831 5.704 -4.130 1.00 1.00 H new ATOM 0 HB3 ARG A 243 15.176 6.773 -5.354 1.00 1.00 H new ATOM 0 HG2 ARG A 243 16.113 8.410 -3.157 1.00 1.00 H new ATOM 0 HG3 ARG A 243 17.382 7.270 -3.557 1.00 1.00 H new ATOM 0 HD2 ARG A 243 17.904 8.720 -5.284 1.00 1.00 H new ATOM 0 HD3 ARG A 243 16.496 8.068 -6.098 1.00 1.00 H new ATOM 0 HE ARG A 243 15.580 10.040 -4.158 1.00 1.00 H new ATOM 0 HH11 ARG A 243 16.123 9.463 -7.451 1.00 1.00 H new ATOM 0 HH12 ARG A 243 16.239 11.164 -7.913 1.00 1.00 H new ATOM 0 HH21 ARG A 243 16.275 12.314 -4.612 1.00 1.00 H new ATOM 0 HH22 ARG A 243 16.324 12.764 -6.319 1.00 1.00 H new TER 709 ARG A 243 HETATM 710 ZN ZN A 244 3.811 -2.019 1.708 1.00 1.00 ZN