USER MOD reduce.3.24.130724 H: found=0, std=0, add=346, rem=0, adj=8 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 231 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 235 ASN : amide:sc= -6.4! C(o=-6.4!,f=-7.7!) USER MOD Set 2.1: A 226 ASN : amide:sc= 0.171 K(o=0.48,f=-3!) USER MOD Set 2.2: A 233 LYS NZ :NH3+ -106:sc= 0.31 (180deg=0) USER MOD Set 3.1: A 220 THR OG1 : rot 142:sc= -0.361 USER MOD Set 3.2: A 222 HIS : no HD1:sc= -0.635 K(o=-1,f=-8.2!) USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 206 ASN : amide:sc= -7.53! C(o=-7.5!,f=-9!) USER MOD Single : A 210 THR OG1 : rot 180:sc= 0 USER MOD Single : A 212 THR OG1 : rot -140:sc= -0.217 USER MOD Single : A 223 TYR OH : rot 180:sc= -1.46! USER MOD Single : A 232 HIS :FLIP no HE2:sc= -1.36 F(o=-2.9!,f=-1.4) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 237 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 238 ASN : amide:sc= -0.564 K(o=-0.56,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 198 3.822 -18.734 -6.375 1.00 1.00 N ATOM 2 CA GLY A 198 2.389 -18.556 -6.743 1.00 1.00 C ATOM 3 C GLY A 198 2.023 -17.072 -6.680 1.00 1.00 C ATOM 4 O GLY A 198 2.879 -16.216 -6.595 1.00 1.00 O ATOM 0 HA2 GLY A 198 2.210 -18.943 -7.746 1.00 1.00 H new ATOM 0 HA3 GLY A 198 1.755 -19.126 -6.064 1.00 1.00 H new ATOM 10 N SER A 199 0.755 -16.762 -6.722 1.00 1.00 N ATOM 11 CA SER A 199 0.335 -15.332 -6.666 1.00 1.00 C ATOM 12 C SER A 199 -0.962 -15.191 -5.862 1.00 1.00 C ATOM 13 O SER A 199 -1.744 -14.288 -6.083 1.00 1.00 O ATOM 14 CB SER A 199 0.108 -14.928 -8.123 1.00 1.00 C ATOM 15 OG SER A 199 -0.673 -15.924 -8.771 1.00 1.00 O ATOM 0 H SER A 199 -0.007 -17.436 -6.793 1.00 1.00 H new ATOM 0 HA SER A 199 1.080 -14.703 -6.179 1.00 1.00 H new ATOM 0 HB2 SER A 199 -0.399 -13.964 -8.170 1.00 1.00 H new ATOM 0 HB3 SER A 199 1.064 -14.811 -8.633 1.00 1.00 H new ATOM 0 HG SER A 199 -0.822 -15.667 -9.705 1.00 1.00 H new ATOM 21 N GLU A 200 -1.196 -16.077 -4.935 1.00 1.00 N ATOM 22 CA GLU A 200 -2.441 -15.991 -4.120 1.00 1.00 C ATOM 23 C GLU A 200 -2.563 -14.605 -3.483 1.00 1.00 C ATOM 24 O GLU A 200 -3.310 -13.762 -3.941 1.00 1.00 O ATOM 25 CB GLU A 200 -2.286 -17.068 -3.045 1.00 1.00 C ATOM 26 CG GLU A 200 -3.512 -17.055 -2.127 1.00 1.00 C ATOM 27 CD GLU A 200 -3.069 -16.809 -0.684 1.00 1.00 C ATOM 28 OE1 GLU A 200 -1.951 -17.172 -0.358 1.00 1.00 O ATOM 29 OE2 GLU A 200 -3.857 -16.263 0.070 1.00 1.00 O ATOM 0 H GLU A 200 -0.580 -16.857 -4.706 1.00 1.00 H new ATOM 0 HA GLU A 200 -3.339 -16.142 -4.720 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -2.177 -18.048 -3.510 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -1.381 -16.889 -2.464 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -4.207 -16.277 -2.442 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -4.043 -18.004 -2.198 1.00 1.00 H new ATOM 36 N ALA A 201 -1.834 -14.365 -2.429 1.00 1.00 N ATOM 37 CA ALA A 201 -1.906 -13.035 -1.758 1.00 1.00 C ATOM 38 C ALA A 201 -1.373 -11.943 -2.689 1.00 1.00 C ATOM 39 O ALA A 201 -0.437 -12.152 -3.436 1.00 1.00 O ATOM 40 CB ALA A 201 -1.015 -13.167 -0.522 1.00 1.00 C ATOM 0 H ALA A 201 -1.191 -15.032 -2.002 1.00 1.00 H new ATOM 0 HA ALA A 201 -2.928 -12.759 -1.497 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -1.015 -12.226 0.028 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -1.397 -13.962 0.119 1.00 1.00 H new ATOM 0 HB3 ALA A 201 0.002 -13.407 -0.831 1.00 1.00 H new ATOM 46 N ARG A 202 -1.961 -10.779 -2.650 1.00 1.00 N ATOM 47 CA ARG A 202 -1.489 -9.672 -3.532 1.00 1.00 C ATOM 48 C ARG A 202 -0.115 -9.177 -3.068 1.00 1.00 C ATOM 49 O ARG A 202 0.392 -9.590 -2.045 1.00 1.00 O ATOM 50 CB ARG A 202 -2.535 -8.569 -3.375 1.00 1.00 C ATOM 51 CG ARG A 202 -3.675 -8.801 -4.371 1.00 1.00 C ATOM 52 CD ARG A 202 -4.640 -9.847 -3.809 1.00 1.00 C ATOM 53 NE ARG A 202 -5.495 -10.240 -4.963 1.00 1.00 N ATOM 54 CZ ARG A 202 -6.794 -10.250 -4.838 1.00 1.00 C ATOM 55 NH1 ARG A 202 -7.457 -9.126 -4.812 1.00 1.00 N ATOM 56 NH2 ARG A 202 -7.433 -11.385 -4.739 1.00 1.00 N ATOM 0 H ARG A 202 -2.749 -10.546 -2.045 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.381 -9.987 -4.570 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -2.923 -8.564 -2.356 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.080 -7.594 -3.548 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -4.204 -7.867 -4.558 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -3.274 -9.138 -5.327 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -4.102 -10.705 -3.406 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -5.238 -9.436 -2.996 1.00 1.00 H new ATOM 0 HE ARG A 202 -5.066 -10.501 -5.851 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -6.960 -8.239 -4.889 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -8.472 -9.135 -4.714 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -6.917 -12.264 -4.759 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -8.448 -11.392 -4.641 1.00 1.00 H new ATOM 70 N GLU A 203 0.485 -8.291 -3.814 1.00 1.00 N ATOM 71 CA GLU A 203 1.823 -7.763 -3.416 1.00 1.00 C ATOM 72 C GLU A 203 1.756 -6.242 -3.255 1.00 1.00 C ATOM 73 O GLU A 203 1.376 -5.529 -4.163 1.00 1.00 O ATOM 74 CB GLU A 203 2.762 -8.143 -4.560 1.00 1.00 C ATOM 75 CG GLU A 203 3.307 -9.552 -4.326 1.00 1.00 C ATOM 76 CD GLU A 203 4.191 -9.962 -5.506 1.00 1.00 C ATOM 77 OE1 GLU A 203 4.443 -9.120 -6.353 1.00 1.00 O ATOM 78 OE2 GLU A 203 4.602 -11.110 -5.541 1.00 1.00 O ATOM 0 H GLU A 203 0.108 -7.909 -4.682 1.00 1.00 H new ATOM 0 HA GLU A 203 2.163 -8.172 -2.465 1.00 1.00 H new ATOM 0 HB2 GLU A 203 2.230 -8.101 -5.510 1.00 1.00 H new ATOM 0 HB3 GLU A 203 3.584 -7.430 -4.622 1.00 1.00 H new ATOM 0 HG2 GLU A 203 3.882 -9.582 -3.400 1.00 1.00 H new ATOM 0 HG3 GLU A 203 2.484 -10.257 -4.213 1.00 1.00 H new ATOM 85 N CYS A 204 2.120 -5.740 -2.108 1.00 1.00 N ATOM 86 CA CYS A 204 2.074 -4.271 -1.888 1.00 1.00 C ATOM 87 C CYS A 204 2.787 -3.541 -3.025 1.00 1.00 C ATOM 88 O CYS A 204 3.985 -3.653 -3.198 1.00 1.00 O ATOM 89 CB CYS A 204 2.807 -4.053 -0.569 1.00 1.00 C ATOM 90 SG CYS A 204 2.710 -2.314 -0.098 1.00 1.00 S ATOM 0 H CYS A 204 2.448 -6.287 -1.312 1.00 1.00 H new ATOM 0 HA CYS A 204 1.054 -3.888 -1.860 1.00 1.00 H new ATOM 0 HB2 CYS A 204 2.367 -4.676 0.210 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.850 -4.355 -0.667 1.00 1.00 H new ATOM 95 N VAL A 205 2.059 -2.784 -3.796 1.00 1.00 N ATOM 96 CA VAL A 205 2.687 -2.034 -4.917 1.00 1.00 C ATOM 97 C VAL A 205 3.907 -1.257 -4.414 1.00 1.00 C ATOM 98 O VAL A 205 4.762 -0.860 -5.182 1.00 1.00 O ATOM 99 CB VAL A 205 1.597 -1.076 -5.396 1.00 1.00 C ATOM 100 CG1 VAL A 205 0.462 -1.875 -6.040 1.00 1.00 C ATOM 101 CG2 VAL A 205 1.048 -0.291 -4.203 1.00 1.00 C ATOM 0 H VAL A 205 1.052 -2.652 -3.697 1.00 1.00 H new ATOM 0 HA VAL A 205 3.039 -2.688 -5.715 1.00 1.00 H new ATOM 0 HB VAL A 205 2.018 -0.385 -6.126 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -0.316 -1.192 -6.382 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.850 -2.438 -6.889 1.00 1.00 H new ATOM 0 HG13 VAL A 205 0.042 -2.565 -5.308 1.00 1.00 H new ATOM 0 HG21 VAL A 205 0.270 0.393 -4.544 1.00 1.00 H new ATOM 0 HG22 VAL A 205 0.628 -0.984 -3.474 1.00 1.00 H new ATOM 0 HG23 VAL A 205 1.854 0.278 -3.740 1.00 1.00 H new ATOM 111 N ASN A 206 3.989 -1.019 -3.130 1.00 1.00 N ATOM 112 CA ASN A 206 5.141 -0.247 -2.588 1.00 1.00 C ATOM 113 C ASN A 206 6.263 -1.166 -2.078 1.00 1.00 C ATOM 114 O ASN A 206 7.386 -1.080 -2.531 1.00 1.00 O ATOM 115 CB ASN A 206 4.557 0.561 -1.431 1.00 1.00 C ATOM 116 CG ASN A 206 3.841 1.790 -1.988 1.00 1.00 C ATOM 117 OD1 ASN A 206 3.459 1.815 -3.141 1.00 1.00 O ATOM 118 ND2 ASN A 206 3.645 2.820 -1.213 1.00 1.00 N ATOM 0 H ASN A 206 3.307 -1.327 -2.436 1.00 1.00 H new ATOM 0 HA ASN A 206 5.594 0.377 -3.359 1.00 1.00 H new ATOM 0 HB2 ASN A 206 3.861 -0.052 -0.859 1.00 1.00 H new ATOM 0 HB3 ASN A 206 5.350 0.866 -0.748 1.00 1.00 H new ATOM 0 HD21 ASN A 206 3.171 3.647 -1.575 1.00 1.00 H new ATOM 0 HD22 ASN A 206 3.966 2.798 -0.245 1.00 1.00 H new ATOM 125 N CYS A 207 5.993 -2.013 -1.118 1.00 1.00 N ATOM 126 CA CYS A 207 7.077 -2.877 -0.583 1.00 1.00 C ATOM 127 C CYS A 207 6.830 -4.369 -0.884 1.00 1.00 C ATOM 128 O CYS A 207 7.612 -5.219 -0.507 1.00 1.00 O ATOM 129 CB CYS A 207 7.084 -2.569 0.921 1.00 1.00 C ATOM 130 SG CYS A 207 5.765 -3.463 1.776 1.00 1.00 S ATOM 0 H CYS A 207 5.077 -2.140 -0.688 1.00 1.00 H new ATOM 0 HA CYS A 207 8.043 -2.675 -1.046 1.00 1.00 H new ATOM 0 HB2 CYS A 207 8.049 -2.844 1.347 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.961 -1.497 1.076 1.00 1.00 H new ATOM 135 N GLY A 208 5.777 -4.690 -1.589 1.00 1.00 N ATOM 136 CA GLY A 208 5.513 -6.123 -1.945 1.00 1.00 C ATOM 137 C GLY A 208 4.982 -6.894 -0.735 1.00 1.00 C ATOM 138 O GLY A 208 4.753 -8.086 -0.794 1.00 1.00 O ATOM 0 H GLY A 208 5.086 -4.024 -1.935 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.790 -6.173 -2.759 1.00 1.00 H new ATOM 0 HA3 GLY A 208 6.431 -6.588 -2.304 1.00 1.00 H new ATOM 142 N ALA A 209 4.784 -6.224 0.358 1.00 1.00 N ATOM 143 CA ALA A 209 4.266 -6.905 1.577 1.00 1.00 C ATOM 144 C ALA A 209 3.118 -7.847 1.213 1.00 1.00 C ATOM 145 O ALA A 209 2.099 -7.426 0.707 1.00 1.00 O ATOM 146 CB ALA A 209 3.762 -5.769 2.462 1.00 1.00 C ATOM 0 H ALA A 209 4.959 -5.225 0.464 1.00 1.00 H new ATOM 0 HA ALA A 209 5.025 -7.512 2.070 1.00 1.00 H new ATOM 0 HB1 ALA A 209 3.360 -6.180 3.388 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.586 -5.094 2.692 1.00 1.00 H new ATOM 0 HB3 ALA A 209 2.979 -5.220 1.939 1.00 1.00 H new ATOM 152 N THR A 210 3.270 -9.116 1.472 1.00 1.00 N ATOM 153 CA THR A 210 2.180 -10.078 1.142 1.00 1.00 C ATOM 154 C THR A 210 1.444 -10.490 2.420 1.00 1.00 C ATOM 155 O THR A 210 0.428 -11.154 2.378 1.00 1.00 O ATOM 156 CB THR A 210 2.888 -11.282 0.518 1.00 1.00 C ATOM 157 OG1 THR A 210 3.873 -10.829 -0.402 1.00 1.00 O ATOM 158 CG2 THR A 210 1.867 -12.153 -0.214 1.00 1.00 C ATOM 0 H THR A 210 4.100 -9.529 1.897 1.00 1.00 H new ATOM 0 HA THR A 210 1.438 -9.651 0.468 1.00 1.00 H new ATOM 0 HB THR A 210 3.367 -11.868 1.303 1.00 1.00 H new ATOM 0 HG1 THR A 210 4.328 -11.600 -0.801 1.00 1.00 H new ATOM 0 HG21 THR A 210 2.372 -13.011 -0.658 1.00 1.00 H new ATOM 0 HG22 THR A 210 1.113 -12.502 0.492 1.00 1.00 H new ATOM 0 HG23 THR A 210 1.386 -11.569 -0.999 1.00 1.00 H new ATOM 166 N ALA A 211 1.954 -10.097 3.556 1.00 1.00 N ATOM 167 CA ALA A 211 1.288 -10.461 4.840 1.00 1.00 C ATOM 168 C ALA A 211 0.688 -9.214 5.494 1.00 1.00 C ATOM 169 O ALA A 211 1.187 -8.722 6.487 1.00 1.00 O ATOM 170 CB ALA A 211 2.399 -11.040 5.713 1.00 1.00 C ATOM 0 H ALA A 211 2.803 -9.540 3.651 1.00 1.00 H new ATOM 0 HA ALA A 211 0.472 -11.170 4.696 1.00 1.00 H new ATOM 0 HB1 ALA A 211 1.987 -11.333 6.679 1.00 1.00 H new ATOM 0 HB2 ALA A 211 2.830 -11.913 5.222 1.00 1.00 H new ATOM 0 HB3 ALA A 211 3.174 -10.288 5.862 1.00 1.00 H new ATOM 176 N THR A 212 -0.375 -8.697 4.944 1.00 1.00 N ATOM 177 CA THR A 212 -1.003 -7.481 5.535 1.00 1.00 C ATOM 178 C THR A 212 -2.468 -7.757 5.880 1.00 1.00 C ATOM 179 O THR A 212 -3.141 -8.497 5.189 1.00 1.00 O ATOM 180 CB THR A 212 -0.903 -6.415 4.443 1.00 1.00 C ATOM 181 OG1 THR A 212 -1.628 -5.261 4.844 1.00 1.00 O ATOM 182 CG2 THR A 212 -1.487 -6.962 3.140 1.00 1.00 C ATOM 0 H THR A 212 -0.836 -9.063 4.111 1.00 1.00 H new ATOM 0 HA THR A 212 -0.512 -7.169 6.457 1.00 1.00 H new ATOM 0 HB THR A 212 0.143 -6.150 4.286 1.00 1.00 H new ATOM 0 HG1 THR A 212 -2.107 -4.891 4.073 1.00 1.00 H new ATOM 0 HG21 THR A 212 -1.416 -6.202 2.362 1.00 1.00 H new ATOM 0 HG22 THR A 212 -0.929 -7.847 2.835 1.00 1.00 H new ATOM 0 HG23 THR A 212 -2.533 -7.227 3.293 1.00 1.00 H new ATOM 190 N PRO A 213 -2.913 -7.148 6.943 1.00 1.00 N ATOM 191 CA PRO A 213 -4.315 -7.326 7.391 1.00 1.00 C ATOM 192 C PRO A 213 -5.265 -6.573 6.456 1.00 1.00 C ATOM 193 O PRO A 213 -5.477 -5.385 6.597 1.00 1.00 O ATOM 194 CB PRO A 213 -4.326 -6.712 8.787 1.00 1.00 C ATOM 195 CG PRO A 213 -3.197 -5.730 8.788 1.00 1.00 C ATOM 196 CD PRO A 213 -2.161 -6.244 7.821 1.00 1.00 C ATOM 0 HA PRO A 213 -4.641 -8.366 7.389 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -5.277 -6.221 8.994 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -4.187 -7.474 9.554 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -3.546 -4.742 8.489 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -2.775 -5.630 9.788 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -1.702 -5.431 7.258 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -1.357 -6.767 8.338 1.00 1.00 H new ATOM 204 N LEU A 214 -5.834 -7.255 5.499 1.00 1.00 N ATOM 205 CA LEU A 214 -6.765 -6.576 4.551 1.00 1.00 C ATOM 206 C LEU A 214 -5.988 -5.612 3.652 1.00 1.00 C ATOM 207 O LEU A 214 -5.366 -4.679 4.119 1.00 1.00 O ATOM 208 CB LEU A 214 -7.755 -5.811 5.431 1.00 1.00 C ATOM 209 CG LEU A 214 -9.044 -5.557 4.651 1.00 1.00 C ATOM 210 CD1 LEU A 214 -10.225 -6.176 5.398 1.00 1.00 C ATOM 211 CD2 LEU A 214 -9.265 -4.048 4.508 1.00 1.00 C ATOM 0 H LEU A 214 -5.695 -8.252 5.332 1.00 1.00 H new ATOM 0 HA LEU A 214 -7.273 -7.284 3.897 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -7.971 -6.382 6.334 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -7.318 -4.864 5.749 1.00 1.00 H new ATOM 0 HG LEU A 214 -8.964 -6.009 3.662 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -11.144 -5.994 4.841 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -10.069 -7.250 5.500 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -10.306 -5.726 6.387 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -10.184 -3.866 3.952 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -9.344 -3.597 5.497 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -8.424 -3.606 3.974 1.00 1.00 H new ATOM 223 N TRP A 215 -6.016 -5.832 2.367 1.00 1.00 N ATOM 224 CA TRP A 215 -5.277 -4.931 1.440 1.00 1.00 C ATOM 225 C TRP A 215 -6.051 -3.624 1.245 1.00 1.00 C ATOM 226 O TRP A 215 -5.588 -2.559 1.602 1.00 1.00 O ATOM 227 CB TRP A 215 -5.185 -5.706 0.125 1.00 1.00 C ATOM 228 CG TRP A 215 -4.170 -6.795 0.261 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.396 -8.001 0.833 1.00 1.00 C ATOM 230 CD2 TRP A 215 -2.780 -6.802 -0.173 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.232 -8.747 0.778 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.208 -8.052 0.166 1.00 1.00 C ATOM 233 CE3 TRP A 215 -1.966 -5.857 -0.822 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -0.877 -8.352 -0.129 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -0.627 -6.155 -1.121 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.084 -7.398 -0.776 1.00 1.00 C ATOM 0 H TRP A 215 -6.519 -6.598 1.919 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.292 -4.661 1.821 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.157 -6.129 -0.129 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -4.907 -5.034 -0.687 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.332 -8.327 1.262 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.142 -9.694 1.145 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.374 -4.894 -1.093 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -0.463 -9.312 0.140 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.012 -5.421 -1.620 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.947 -7.621 -1.009 1.00 1.00 H new ATOM 247 N ARG A 216 -7.228 -3.696 0.683 1.00 1.00 N ATOM 248 CA ARG A 216 -8.026 -2.454 0.471 1.00 1.00 C ATOM 249 C ARG A 216 -7.293 -1.517 -0.494 1.00 1.00 C ATOM 250 O ARG A 216 -6.174 -1.112 -0.248 1.00 1.00 O ATOM 251 CB ARG A 216 -8.136 -1.815 1.854 1.00 1.00 C ATOM 252 CG ARG A 216 -9.358 -0.897 1.898 1.00 1.00 C ATOM 253 CD ARG A 216 -10.615 -1.699 1.558 1.00 1.00 C ATOM 254 NE ARG A 216 -11.726 -0.977 2.234 1.00 1.00 N ATOM 255 CZ ARG A 216 -12.948 -1.423 2.140 1.00 1.00 C ATOM 256 NH1 ARG A 216 -13.354 -2.382 2.927 1.00 1.00 N ATOM 257 NH2 ARG A 216 -13.763 -0.913 1.258 1.00 1.00 N ATOM 0 H ARG A 216 -7.670 -4.558 0.363 1.00 1.00 H new ATOM 0 HA ARG A 216 -9.005 -2.659 0.037 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -8.222 -2.588 2.617 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -7.233 -1.246 2.076 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -9.455 -0.452 2.888 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -9.235 -0.077 1.190 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -10.773 -1.747 0.481 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -10.537 -2.726 1.915 1.00 1.00 H new ATOM 0 HE ARG A 216 -11.532 -0.132 2.772 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -12.716 -2.782 3.615 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -14.310 -2.731 2.854 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -13.445 -0.165 0.642 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -14.719 -1.262 1.185 1.00 1.00 H new ATOM 271 N ARG A 217 -7.912 -1.171 -1.589 1.00 1.00 N ATOM 272 CA ARG A 217 -7.247 -0.267 -2.566 1.00 1.00 C ATOM 273 C ARG A 217 -7.564 1.193 -2.235 1.00 1.00 C ATOM 274 O ARG A 217 -8.436 1.486 -1.440 1.00 1.00 O ATOM 275 CB ARG A 217 -7.838 -0.649 -3.922 1.00 1.00 C ATOM 276 CG ARG A 217 -7.725 -2.163 -4.126 1.00 1.00 C ATOM 277 CD ARG A 217 -8.805 -2.631 -5.105 1.00 1.00 C ATOM 278 NE ARG A 217 -8.605 -1.804 -6.326 1.00 1.00 N ATOM 279 CZ ARG A 217 -8.433 -2.383 -7.483 1.00 1.00 C ATOM 280 NH1 ARG A 217 -9.116 -3.454 -7.783 1.00 1.00 N ATOM 281 NH2 ARG A 217 -7.579 -1.891 -8.341 1.00 1.00 N ATOM 0 H ARG A 217 -8.850 -1.476 -1.849 1.00 1.00 H new ATOM 0 HA ARG A 217 -6.162 -0.368 -2.551 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -8.883 -0.342 -3.974 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.312 -0.125 -4.720 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -6.737 -2.416 -4.511 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -7.837 -2.678 -3.172 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -8.702 -3.693 -5.327 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -9.803 -2.487 -4.690 1.00 1.00 H new ATOM 0 HE ARG A 217 -8.602 -0.786 -6.259 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -9.783 -3.838 -7.114 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -8.983 -3.907 -8.687 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -7.046 -1.054 -8.107 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -7.445 -2.344 -9.245 1.00 1.00 H new ATOM 295 N ASP A 218 -6.859 2.112 -2.835 1.00 1.00 N ATOM 296 CA ASP A 218 -7.110 3.551 -2.554 1.00 1.00 C ATOM 297 C ASP A 218 -7.363 4.314 -3.859 1.00 1.00 C ATOM 298 O ASP A 218 -7.630 3.732 -4.891 1.00 1.00 O ATOM 299 CB ASP A 218 -5.828 4.053 -1.888 1.00 1.00 C ATOM 300 CG ASP A 218 -4.603 3.444 -2.578 1.00 1.00 C ATOM 301 OD1 ASP A 218 -4.699 3.148 -3.758 1.00 1.00 O ATOM 302 OD2 ASP A 218 -3.593 3.284 -1.914 1.00 1.00 O ATOM 0 H ASP A 218 -6.117 1.926 -3.510 1.00 1.00 H new ATOM 0 HA ASP A 218 -7.987 3.698 -1.924 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -5.783 5.141 -1.943 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -5.830 3.787 -0.831 1.00 1.00 H new ATOM 307 N ARG A 219 -7.279 5.616 -3.814 1.00 1.00 N ATOM 308 CA ARG A 219 -7.510 6.430 -5.042 1.00 1.00 C ATOM 309 C ARG A 219 -6.628 5.932 -6.185 1.00 1.00 C ATOM 310 O ARG A 219 -6.967 6.054 -7.345 1.00 1.00 O ATOM 311 CB ARG A 219 -7.094 7.847 -4.656 1.00 1.00 C ATOM 312 CG ARG A 219 -8.255 8.809 -4.909 1.00 1.00 C ATOM 313 CD ARG A 219 -8.068 10.074 -4.066 1.00 1.00 C ATOM 314 NE ARG A 219 -9.295 10.163 -3.228 1.00 1.00 N ATOM 315 CZ ARG A 219 -9.776 11.330 -2.892 1.00 1.00 C ATOM 316 NH1 ARG A 219 -8.978 12.355 -2.764 1.00 1.00 N ATOM 317 NH2 ARG A 219 -11.056 11.472 -2.683 1.00 1.00 N ATOM 0 H ARG A 219 -7.059 6.154 -2.975 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.545 6.372 -5.380 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -6.805 7.879 -3.606 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -6.223 8.152 -5.236 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -8.302 9.068 -5.967 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -9.200 8.328 -4.657 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -7.172 10.008 -3.449 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -7.956 10.956 -4.697 1.00 1.00 H new ATOM 0 HE ARG A 219 -9.761 9.311 -2.916 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -7.977 12.245 -2.926 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -9.355 13.266 -2.502 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -11.681 10.672 -2.782 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -11.432 12.383 -2.421 1.00 1.00 H new ATOM 331 N THR A 220 -5.488 5.389 -5.866 1.00 1.00 N ATOM 332 CA THR A 220 -4.574 4.906 -6.937 1.00 1.00 C ATOM 333 C THR A 220 -4.880 3.446 -7.285 1.00 1.00 C ATOM 334 O THR A 220 -4.136 2.796 -7.993 1.00 1.00 O ATOM 335 CB THR A 220 -3.172 5.049 -6.346 1.00 1.00 C ATOM 336 OG1 THR A 220 -2.955 4.021 -5.388 1.00 1.00 O ATOM 337 CG2 THR A 220 -3.046 6.417 -5.671 1.00 1.00 C ATOM 0 H THR A 220 -5.150 5.259 -4.913 1.00 1.00 H new ATOM 0 HA THR A 220 -4.683 5.470 -7.863 1.00 1.00 H new ATOM 0 HB THR A 220 -2.429 4.965 -7.139 1.00 1.00 H new ATOM 0 HG1 THR A 220 -2.030 3.704 -5.452 1.00 1.00 H new ATOM 0 HG21 THR A 220 -2.047 6.523 -5.248 1.00 1.00 H new ATOM 0 HG22 THR A 220 -3.214 7.203 -6.407 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.787 6.500 -4.876 1.00 1.00 H new ATOM 345 N GLY A 221 -5.976 2.934 -6.801 1.00 1.00 N ATOM 346 CA GLY A 221 -6.347 1.523 -7.109 1.00 1.00 C ATOM 347 C GLY A 221 -5.156 0.593 -6.855 1.00 1.00 C ATOM 348 O GLY A 221 -5.083 -0.490 -7.401 1.00 1.00 O ATOM 0 H GLY A 221 -6.634 3.433 -6.203 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.193 1.219 -6.492 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -6.665 1.442 -8.148 1.00 1.00 H new ATOM 352 N HIS A 222 -4.229 0.997 -6.032 1.00 1.00 N ATOM 353 CA HIS A 222 -3.057 0.116 -5.751 1.00 1.00 C ATOM 354 C HIS A 222 -3.379 -0.827 -4.589 1.00 1.00 C ATOM 355 O HIS A 222 -4.488 -0.857 -4.093 1.00 1.00 O ATOM 356 CB HIS A 222 -1.915 1.065 -5.381 1.00 1.00 C ATOM 357 CG HIS A 222 -1.345 1.670 -6.632 1.00 1.00 C ATOM 358 ND1 HIS A 222 -1.011 3.012 -6.720 1.00 1.00 N ATOM 359 CD2 HIS A 222 -1.043 1.128 -7.858 1.00 1.00 C ATOM 360 CE1 HIS A 222 -0.536 3.231 -7.960 1.00 1.00 C ATOM 361 NE2 HIS A 222 -0.532 2.116 -8.695 1.00 1.00 N ATOM 0 H HIS A 222 -4.230 1.893 -5.544 1.00 1.00 H new ATOM 0 HA HIS A 222 -2.795 -0.509 -6.605 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.280 1.849 -4.718 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.139 0.524 -4.839 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -1.181 0.092 -8.131 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -0.199 4.193 -8.318 1.00 1.00 H new ATOM 0 HE2 HIS A 222 -0.222 2.011 -9.661 1.00 1.00 H new ATOM 369 N TYR A 223 -2.426 -1.604 -4.155 1.00 1.00 N ATOM 370 CA TYR A 223 -2.690 -2.549 -3.034 1.00 1.00 C ATOM 371 C TYR A 223 -1.639 -2.390 -1.933 1.00 1.00 C ATOM 372 O TYR A 223 -0.942 -3.325 -1.593 1.00 1.00 O ATOM 373 CB TYR A 223 -2.587 -3.934 -3.667 1.00 1.00 C ATOM 374 CG TYR A 223 -3.923 -4.333 -4.246 1.00 1.00 C ATOM 375 CD1 TYR A 223 -5.053 -4.405 -3.421 1.00 1.00 C ATOM 376 CD2 TYR A 223 -4.031 -4.635 -5.609 1.00 1.00 C ATOM 377 CE1 TYR A 223 -6.289 -4.778 -3.960 1.00 1.00 C ATOM 378 CE2 TYR A 223 -5.267 -5.009 -6.148 1.00 1.00 C ATOM 379 CZ TYR A 223 -6.397 -5.082 -5.324 1.00 1.00 C ATOM 380 OH TYR A 223 -7.615 -5.450 -5.855 1.00 1.00 O ATOM 0 H TYR A 223 -1.477 -1.626 -4.528 1.00 1.00 H new ATOM 0 HA TYR A 223 -3.659 -2.373 -2.568 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -1.828 -3.931 -4.449 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -2.272 -4.663 -2.920 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -4.970 -4.173 -2.370 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -3.160 -4.579 -6.245 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -7.161 -4.832 -3.325 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -5.350 -5.241 -7.199 1.00 1.00 H new ATOM 0 HH TYR A 223 -7.514 -5.625 -6.814 1.00 1.00 H new ATOM 390 N LEU A 224 -1.520 -1.222 -1.364 1.00 1.00 N ATOM 391 CA LEU A 224 -0.511 -1.029 -0.283 1.00 1.00 C ATOM 392 C LEU A 224 -0.771 -2.022 0.854 1.00 1.00 C ATOM 393 O LEU A 224 -1.827 -2.615 0.943 1.00 1.00 O ATOM 394 CB LEU A 224 -0.713 0.408 0.204 1.00 1.00 C ATOM 395 CG LEU A 224 -0.273 1.382 -0.889 1.00 1.00 C ATOM 396 CD1 LEU A 224 -1.095 2.670 -0.788 1.00 1.00 C ATOM 397 CD2 LEU A 224 1.208 1.714 -0.709 1.00 1.00 C ATOM 0 H LEU A 224 -2.073 -0.398 -1.598 1.00 1.00 H new ATOM 0 HA LEU A 224 0.508 -1.197 -0.632 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -1.761 0.575 0.455 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -0.137 0.580 1.113 1.00 1.00 H new ATOM 0 HG LEU A 224 -0.430 0.924 -1.866 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -0.781 3.364 -1.567 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -2.152 2.438 -0.914 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -0.938 3.126 0.189 1.00 1.00 H new ATOM 0 HD21 LEU A 224 1.522 2.408 -1.488 1.00 1.00 H new ATOM 0 HD22 LEU A 224 1.362 2.171 0.268 1.00 1.00 H new ATOM 0 HD23 LEU A 224 1.797 0.799 -0.779 1.00 1.00 H new ATOM 409 N CYS A 225 0.186 -2.210 1.719 1.00 1.00 N ATOM 410 CA CYS A 225 -0.006 -3.165 2.847 1.00 1.00 C ATOM 411 C CYS A 225 -0.344 -2.405 4.131 1.00 1.00 C ATOM 412 O CYS A 225 0.162 -2.706 5.193 1.00 1.00 O ATOM 413 CB CYS A 225 1.336 -3.886 2.986 1.00 1.00 C ATOM 414 SG CYS A 225 2.576 -2.735 3.629 1.00 1.00 S ATOM 0 H CYS A 225 1.093 -1.744 1.694 1.00 1.00 H new ATOM 0 HA CYS A 225 -0.826 -3.860 2.666 1.00 1.00 H new ATOM 0 HB2 CYS A 225 1.235 -4.740 3.656 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.653 -4.276 2.019 1.00 1.00 H new ATOM 419 N ASN A 226 -1.195 -1.418 4.040 1.00 1.00 N ATOM 420 CA ASN A 226 -1.567 -0.634 5.254 1.00 1.00 C ATOM 421 C ASN A 226 -0.369 0.182 5.749 1.00 1.00 C ATOM 422 O ASN A 226 -0.440 1.389 5.874 1.00 1.00 O ATOM 423 CB ASN A 226 -1.974 -1.681 6.295 1.00 1.00 C ATOM 424 CG ASN A 226 -2.857 -1.027 7.358 1.00 1.00 C ATOM 425 OD1 ASN A 226 -3.255 0.113 7.219 1.00 1.00 O ATOM 426 ND2 ASN A 226 -3.184 -1.706 8.425 1.00 1.00 N ATOM 0 H ASN A 226 -1.649 -1.120 3.177 1.00 1.00 H new ATOM 0 HA ASN A 226 -2.370 0.075 5.055 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -2.511 -2.498 5.814 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -1.087 -2.112 6.759 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -3.773 -1.279 9.140 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -2.851 -2.663 8.543 1.00 1.00 H new ATOM 433 N ALA A 227 0.728 -0.463 6.035 1.00 1.00 N ATOM 434 CA ALA A 227 1.925 0.279 6.527 1.00 1.00 C ATOM 435 C ALA A 227 2.379 1.312 5.491 1.00 1.00 C ATOM 436 O ALA A 227 2.752 2.418 5.827 1.00 1.00 O ATOM 437 CB ALA A 227 2.998 -0.792 6.724 1.00 1.00 C ATOM 0 H ALA A 227 0.848 -1.472 5.950 1.00 1.00 H new ATOM 0 HA ALA A 227 1.720 0.828 7.446 1.00 1.00 H new ATOM 0 HB1 ALA A 227 3.915 -0.326 7.086 1.00 1.00 H new ATOM 0 HB2 ALA A 227 2.651 -1.525 7.452 1.00 1.00 H new ATOM 0 HB3 ALA A 227 3.195 -1.289 5.774 1.00 1.00 H new ATOM 443 N CYS A 228 2.353 0.961 4.237 1.00 1.00 N ATOM 444 CA CYS A 228 2.786 1.923 3.184 1.00 1.00 C ATOM 445 C CYS A 228 1.694 2.968 2.933 1.00 1.00 C ATOM 446 O CYS A 228 1.953 4.155 2.896 1.00 1.00 O ATOM 447 CB CYS A 228 3.006 1.076 1.940 1.00 1.00 C ATOM 448 SG CYS A 228 4.518 0.093 2.126 1.00 1.00 S ATOM 0 H CYS A 228 2.051 0.049 3.894 1.00 1.00 H new ATOM 0 HA CYS A 228 3.685 2.468 3.472 1.00 1.00 H new ATOM 0 HB2 CYS A 228 2.151 0.419 1.781 1.00 1.00 H new ATOM 0 HB3 CYS A 228 3.084 1.717 1.062 1.00 1.00 H new ATOM 453 N GLY A 229 0.475 2.536 2.759 1.00 1.00 N ATOM 454 CA GLY A 229 -0.632 3.501 2.508 1.00 1.00 C ATOM 455 C GLY A 229 -0.722 4.497 3.666 1.00 1.00 C ATOM 456 O GLY A 229 -1.344 5.534 3.558 1.00 1.00 O ATOM 0 H GLY A 229 0.198 1.555 2.780 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -0.459 4.032 1.572 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -1.576 2.966 2.401 1.00 1.00 H new ATOM 460 N LEU A 230 -0.104 4.190 4.773 1.00 1.00 N ATOM 461 CA LEU A 230 -0.155 5.121 5.937 1.00 1.00 C ATOM 462 C LEU A 230 0.032 6.567 5.472 1.00 1.00 C ATOM 463 O LEU A 230 -0.631 7.470 5.942 1.00 1.00 O ATOM 464 CB LEU A 230 0.999 4.698 6.836 1.00 1.00 C ATOM 465 CG LEU A 230 0.579 4.842 8.298 1.00 1.00 C ATOM 466 CD1 LEU A 230 0.306 6.315 8.607 1.00 1.00 C ATOM 467 CD2 LEU A 230 -0.690 4.024 8.546 1.00 1.00 C ATOM 0 H LEU A 230 0.434 3.336 4.923 1.00 1.00 H new ATOM 0 HA LEU A 230 -1.113 5.076 6.455 1.00 1.00 H new ATOM 0 HB2 LEU A 230 1.279 3.666 6.626 1.00 1.00 H new ATOM 0 HB3 LEU A 230 1.876 5.313 6.635 1.00 1.00 H new ATOM 0 HG LEU A 230 1.378 4.478 8.944 1.00 1.00 H new ATOM 0 HD11 LEU A 230 0.006 6.419 9.650 1.00 1.00 H new ATOM 0 HD12 LEU A 230 1.210 6.898 8.430 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -0.493 6.680 7.962 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -0.991 4.126 9.589 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -1.489 4.388 7.901 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -0.495 2.974 8.326 1.00 1.00 H new ATOM 479 N TYR A 231 0.931 6.794 4.554 1.00 1.00 N ATOM 480 CA TYR A 231 1.160 8.181 4.063 1.00 1.00 C ATOM 481 C TYR A 231 -0.118 8.732 3.426 1.00 1.00 C ATOM 482 O TYR A 231 -0.565 9.816 3.747 1.00 1.00 O ATOM 483 CB TYR A 231 2.269 8.053 3.019 1.00 1.00 C ATOM 484 CG TYR A 231 3.086 9.321 2.997 1.00 1.00 C ATOM 485 CD1 TYR A 231 3.764 9.735 4.149 1.00 1.00 C ATOM 486 CD2 TYR A 231 3.167 10.082 1.825 1.00 1.00 C ATOM 487 CE1 TYR A 231 4.523 10.910 4.131 1.00 1.00 C ATOM 488 CE2 TYR A 231 3.926 11.259 1.807 1.00 1.00 C ATOM 489 CZ TYR A 231 4.604 11.671 2.959 1.00 1.00 C ATOM 490 OH TYR A 231 5.353 12.831 2.941 1.00 1.00 O ATOM 0 H TYR A 231 1.517 6.079 4.123 1.00 1.00 H new ATOM 0 HA TYR A 231 1.435 8.865 4.866 1.00 1.00 H new ATOM 0 HB2 TYR A 231 2.907 7.201 3.253 1.00 1.00 H new ATOM 0 HB3 TYR A 231 1.838 7.868 2.035 1.00 1.00 H new ATOM 0 HD1 TYR A 231 3.701 9.147 5.053 1.00 1.00 H new ATOM 0 HD2 TYR A 231 2.645 9.762 0.935 1.00 1.00 H new ATOM 0 HE1 TYR A 231 5.046 11.230 5.020 1.00 1.00 H new ATOM 0 HE2 TYR A 231 3.988 11.848 0.904 1.00 1.00 H new ATOM 0 HH TYR A 231 5.304 13.238 2.051 1.00 1.00 H new ATOM 500 N HIS A 232 -0.708 7.996 2.525 1.00 1.00 N ATOM 501 CA HIS A 232 -1.955 8.476 1.867 1.00 1.00 C ATOM 502 C HIS A 232 -3.025 8.782 2.917 1.00 1.00 C ATOM 503 O HIS A 232 -3.939 9.548 2.682 1.00 1.00 O ATOM 504 CB HIS A 232 -2.400 7.320 0.971 1.00 1.00 C ATOM 505 CG HIS A 232 -3.246 7.851 -0.153 1.00 1.00 C ATOM 506 ND1 HIS A 232 -2.929 8.577 -1.275 1.00 1.00 N flip ATOM 507 CD2 HIS A 232 -4.616 7.654 -0.205 1.00 1.00 C flip ATOM 508 CE1 HIS A 232 -4.082 8.825 -2.012 1.00 1.00 C flip ATOM 509 NE2 HIS A 232 -5.070 8.247 -1.324 1.00 1.00 N flip ATOM 0 H HIS A 232 -0.379 7.081 2.216 1.00 1.00 H new ATOM 0 HA HIS A 232 -1.795 9.394 1.301 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -1.529 6.801 0.571 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -2.965 6.592 1.553 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -1.991 8.887 -1.529 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -5.212 7.121 0.521 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -4.161 9.369 -2.942 1.00 1.00 H new ATOM 517 N LYS A 233 -2.920 8.190 4.076 1.00 1.00 N ATOM 518 CA LYS A 233 -3.934 8.447 5.138 1.00 1.00 C ATOM 519 C LYS A 233 -3.637 9.770 5.850 1.00 1.00 C ATOM 520 O LYS A 233 -4.508 10.596 6.034 1.00 1.00 O ATOM 521 CB LYS A 233 -3.796 7.274 6.111 1.00 1.00 C ATOM 522 CG LYS A 233 -4.000 5.958 5.361 1.00 1.00 C ATOM 523 CD LYS A 233 -4.269 4.837 6.366 1.00 1.00 C ATOM 524 CE LYS A 233 -4.821 3.613 5.632 1.00 1.00 C ATOM 525 NZ LYS A 233 -4.984 2.573 6.688 1.00 1.00 N ATOM 0 H LYS A 233 -2.177 7.540 4.333 1.00 1.00 H new ATOM 0 HA LYS A 233 -4.942 8.526 4.732 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -2.811 7.289 6.577 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -4.529 7.365 6.912 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -4.836 6.048 4.667 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -3.116 5.725 4.767 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -3.349 4.576 6.890 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -4.981 5.173 7.120 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -5.772 3.838 5.149 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -4.138 3.279 4.851 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -4.236 1.857 6.589 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -4.916 3.017 7.626 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -5.914 2.118 6.587 1.00 1.00 H new ATOM 539 N MET A 234 -2.413 9.974 6.257 1.00 1.00 N ATOM 540 CA MET A 234 -2.064 11.240 6.962 1.00 1.00 C ATOM 541 C MET A 234 -1.518 12.271 5.974 1.00 1.00 C ATOM 542 O MET A 234 -1.890 13.428 5.998 1.00 1.00 O ATOM 543 CB MET A 234 -0.985 10.840 7.969 1.00 1.00 C ATOM 544 CG MET A 234 -1.627 10.081 9.131 1.00 1.00 C ATOM 545 SD MET A 234 -0.652 10.338 10.634 1.00 1.00 S ATOM 546 CE MET A 234 -1.802 11.463 11.462 1.00 1.00 C ATOM 0 H MET A 234 -1.641 9.319 6.132 1.00 1.00 H new ATOM 0 HA MET A 234 -2.929 11.696 7.443 1.00 1.00 H new ATOM 0 HB2 MET A 234 -0.234 10.216 7.484 1.00 1.00 H new ATOM 0 HB3 MET A 234 -0.472 11.727 8.340 1.00 1.00 H new ATOM 0 HG2 MET A 234 -2.649 10.427 9.285 1.00 1.00 H new ATOM 0 HG3 MET A 234 -1.682 9.018 8.898 1.00 1.00 H new ATOM 0 HE1 MET A 234 -1.392 11.755 12.429 1.00 1.00 H new ATOM 0 HE2 MET A 234 -1.949 12.351 10.847 1.00 1.00 H new ATOM 0 HE3 MET A 234 -2.759 10.962 11.610 1.00 1.00 H new ATOM 556 N ASN A 235 -0.638 11.861 5.109 1.00 1.00 N ATOM 557 CA ASN A 235 -0.061 12.817 4.119 1.00 1.00 C ATOM 558 C ASN A 235 -0.963 12.917 2.887 1.00 1.00 C ATOM 559 O ASN A 235 -1.062 13.952 2.259 1.00 1.00 O ATOM 560 CB ASN A 235 1.296 12.224 3.741 1.00 1.00 C ATOM 561 CG ASN A 235 2.338 12.630 4.785 1.00 1.00 C ATOM 562 OD1 ASN A 235 2.593 11.901 5.722 1.00 1.00 O ATOM 563 ND2 ASN A 235 2.956 13.774 4.660 1.00 1.00 N ATOM 0 H ASN A 235 -0.290 10.904 5.042 1.00 1.00 H new ATOM 0 HA ASN A 235 0.031 13.824 4.526 1.00 1.00 H new ATOM 0 HB2 ASN A 235 1.227 11.138 3.684 1.00 1.00 H new ATOM 0 HB3 ASN A 235 1.597 12.577 2.755 1.00 1.00 H new ATOM 0 HD21 ASN A 235 3.653 14.055 5.350 1.00 1.00 H new ATOM 0 HD22 ASN A 235 2.742 14.386 3.873 1.00 1.00 H new ATOM 570 N GLY A 236 -1.619 11.848 2.535 1.00 1.00 N ATOM 571 CA GLY A 236 -2.510 11.877 1.347 1.00 1.00 C ATOM 572 C GLY A 236 -1.705 11.537 0.091 1.00 1.00 C ATOM 573 O GLY A 236 -2.234 11.025 -0.876 1.00 1.00 O ATOM 0 H GLY A 236 -1.575 10.953 3.022 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -3.324 11.163 1.473 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -2.964 12.863 1.244 1.00 1.00 H new ATOM 577 N GLN A 237 -0.429 11.816 0.094 1.00 1.00 N ATOM 578 CA GLN A 237 0.405 11.505 -1.102 1.00 1.00 C ATOM 579 C GLN A 237 0.768 10.017 -1.117 1.00 1.00 C ATOM 580 O GLN A 237 0.174 9.216 -0.424 1.00 1.00 O ATOM 581 CB GLN A 237 1.660 12.364 -0.947 1.00 1.00 C ATOM 582 CG GLN A 237 1.263 13.839 -0.863 1.00 1.00 C ATOM 583 CD GLN A 237 2.477 14.673 -0.446 1.00 1.00 C ATOM 584 OE1 GLN A 237 3.120 14.377 0.542 1.00 1.00 O ATOM 585 NE2 GLN A 237 2.818 15.708 -1.162 1.00 1.00 N ATOM 0 H GLN A 237 0.071 12.245 0.872 1.00 1.00 H new ATOM 0 HA GLN A 237 -0.116 11.715 -2.036 1.00 1.00 H new ATOM 0 HB2 GLN A 237 2.205 12.072 -0.049 1.00 1.00 H new ATOM 0 HB3 GLN A 237 2.329 12.204 -1.792 1.00 1.00 H new ATOM 0 HG2 GLN A 237 0.888 14.181 -1.828 1.00 1.00 H new ATOM 0 HG3 GLN A 237 0.455 13.968 -0.143 1.00 1.00 H new ATOM 0 HE21 GLN A 237 2.277 15.955 -1.991 1.00 1.00 H new ATOM 0 HE22 GLN A 237 3.625 16.270 -0.893 1.00 1.00 H new ATOM 594 N ASN A 238 1.738 9.642 -1.905 1.00 1.00 N ATOM 595 CA ASN A 238 2.136 8.208 -1.967 1.00 1.00 C ATOM 596 C ASN A 238 3.548 8.025 -1.398 1.00 1.00 C ATOM 597 O ASN A 238 4.482 8.682 -1.810 1.00 1.00 O ATOM 598 CB ASN A 238 2.109 7.864 -3.456 1.00 1.00 C ATOM 599 CG ASN A 238 0.671 7.574 -3.885 1.00 1.00 C ATOM 600 OD1 ASN A 238 0.351 6.469 -4.273 1.00 1.00 O ATOM 601 ND2 ASN A 238 -0.216 8.529 -3.830 1.00 1.00 N ATOM 0 H ASN A 238 2.272 10.267 -2.509 1.00 1.00 H new ATOM 0 HA ASN A 238 1.476 7.566 -1.384 1.00 1.00 H new ATOM 0 HB2 ASN A 238 2.514 8.691 -4.039 1.00 1.00 H new ATOM 0 HB3 ASN A 238 2.740 6.997 -3.652 1.00 1.00 H new ATOM 0 HD21 ASN A 238 -1.179 8.348 -4.113 1.00 1.00 H new ATOM 0 HD22 ASN A 238 0.053 9.457 -3.504 1.00 1.00 H new ATOM 608 N ARG A 239 3.706 7.138 -0.455 1.00 1.00 N ATOM 609 CA ARG A 239 5.058 6.914 0.136 1.00 1.00 C ATOM 610 C ARG A 239 6.036 6.449 -0.949 1.00 1.00 C ATOM 611 O ARG A 239 5.818 5.438 -1.588 1.00 1.00 O ATOM 612 CB ARG A 239 4.858 5.819 1.184 1.00 1.00 C ATOM 613 CG ARG A 239 5.385 6.304 2.536 1.00 1.00 C ATOM 614 CD ARG A 239 5.124 5.237 3.603 1.00 1.00 C ATOM 615 NE ARG A 239 6.414 4.506 3.740 1.00 1.00 N ATOM 616 CZ ARG A 239 7.496 5.151 4.083 1.00 1.00 C ATOM 617 NH1 ARG A 239 7.412 6.216 4.833 1.00 1.00 N ATOM 618 NH2 ARG A 239 8.663 4.729 3.679 1.00 1.00 N ATOM 0 H ARG A 239 2.961 6.559 -0.068 1.00 1.00 H new ATOM 0 HA ARG A 239 5.474 7.822 0.573 1.00 1.00 H new ATOM 0 HB2 ARG A 239 3.801 5.566 1.263 1.00 1.00 H new ATOM 0 HB3 ARG A 239 5.381 4.912 0.882 1.00 1.00 H new ATOM 0 HG2 ARG A 239 6.453 6.511 2.468 1.00 1.00 H new ATOM 0 HG3 ARG A 239 4.896 7.238 2.814 1.00 1.00 H new ATOM 0 HD2 ARG A 239 4.824 5.689 4.548 1.00 1.00 H new ATOM 0 HD3 ARG A 239 4.320 4.566 3.302 1.00 1.00 H new ATOM 0 HE ARG A 239 6.452 3.502 3.566 1.00 1.00 H new ATOM 0 HH11 ARG A 239 6.501 6.545 5.152 1.00 1.00 H new ATOM 0 HH12 ARG A 239 8.258 6.719 5.101 1.00 1.00 H new ATOM 0 HH21 ARG A 239 8.730 3.895 3.095 1.00 1.00 H new ATOM 0 HH22 ARG A 239 9.508 5.233 3.947 1.00 1.00 H new ATOM 632 N PRO A 240 7.086 7.208 -1.124 1.00 1.00 N ATOM 633 CA PRO A 240 8.107 6.872 -2.146 1.00 1.00 C ATOM 634 C PRO A 240 8.961 5.684 -1.692 1.00 1.00 C ATOM 635 O PRO A 240 8.845 5.212 -0.578 1.00 1.00 O ATOM 636 CB PRO A 240 8.950 8.141 -2.239 1.00 1.00 C ATOM 637 CG PRO A 240 8.775 8.823 -0.919 1.00 1.00 C ATOM 638 CD PRO A 240 7.414 8.438 -0.396 1.00 1.00 C ATOM 0 HA PRO A 240 7.671 6.580 -3.102 1.00 1.00 H new ATOM 0 HB2 PRO A 240 9.998 7.905 -2.425 1.00 1.00 H new ATOM 0 HB3 PRO A 240 8.616 8.777 -3.059 1.00 1.00 H new ATOM 0 HG2 PRO A 240 9.556 8.518 -0.222 1.00 1.00 H new ATOM 0 HG3 PRO A 240 8.852 9.904 -1.031 1.00 1.00 H new ATOM 0 HD2 PRO A 240 7.433 8.271 0.681 1.00 1.00 H new ATOM 0 HD3 PRO A 240 6.679 9.220 -0.584 1.00 1.00 H new ATOM 646 N LEU A 241 9.821 5.202 -2.549 1.00 1.00 N ATOM 647 CA LEU A 241 10.688 4.053 -2.180 1.00 1.00 C ATOM 648 C LEU A 241 12.084 4.234 -2.796 1.00 1.00 C ATOM 649 O LEU A 241 12.716 5.258 -2.619 1.00 1.00 O ATOM 650 CB LEU A 241 9.985 2.821 -2.757 1.00 1.00 C ATOM 651 CG LEU A 241 8.519 2.815 -2.324 1.00 1.00 C ATOM 652 CD1 LEU A 241 7.792 1.646 -2.995 1.00 1.00 C ATOM 653 CD2 LEU A 241 8.437 2.658 -0.804 1.00 1.00 C ATOM 0 H LEU A 241 9.959 5.560 -3.494 1.00 1.00 H new ATOM 0 HA LEU A 241 10.829 3.962 -1.103 1.00 1.00 H new ATOM 0 HB2 LEU A 241 10.053 2.828 -3.845 1.00 1.00 H new ATOM 0 HB3 LEU A 241 10.480 1.913 -2.412 1.00 1.00 H new ATOM 0 HG LEU A 241 8.050 3.753 -2.620 1.00 1.00 H new ATOM 0 HD11 LEU A 241 6.747 1.642 -2.686 1.00 1.00 H new ATOM 0 HD12 LEU A 241 7.850 1.755 -4.078 1.00 1.00 H new ATOM 0 HD13 LEU A 241 8.261 0.708 -2.699 1.00 1.00 H new ATOM 0 HD21 LEU A 241 7.392 2.654 -0.495 1.00 1.00 H new ATOM 0 HD22 LEU A 241 8.907 1.720 -0.509 1.00 1.00 H new ATOM 0 HD23 LEU A 241 8.954 3.489 -0.324 1.00 1.00 H new ATOM 665 N ILE A 242 12.573 3.258 -3.516 1.00 1.00 N ATOM 666 CA ILE A 242 13.920 3.391 -4.130 1.00 1.00 C ATOM 667 C ILE A 242 13.809 4.019 -5.523 1.00 1.00 C ATOM 668 O ILE A 242 12.786 3.932 -6.173 1.00 1.00 O ATOM 669 CB ILE A 242 14.453 1.962 -4.230 1.00 1.00 C ATOM 670 CG1 ILE A 242 14.809 1.455 -2.831 1.00 1.00 C ATOM 671 CG2 ILE A 242 15.702 1.940 -5.113 1.00 1.00 C ATOM 672 CD1 ILE A 242 13.582 0.795 -2.201 1.00 1.00 C ATOM 0 H ILE A 242 12.095 2.376 -3.703 1.00 1.00 H new ATOM 0 HA ILE A 242 14.578 4.033 -3.544 1.00 1.00 H new ATOM 0 HB ILE A 242 13.689 1.320 -4.669 1.00 1.00 H new ATOM 0 HG12 ILE A 242 15.630 0.740 -2.889 1.00 1.00 H new ATOM 0 HG13 ILE A 242 15.150 2.282 -2.209 1.00 1.00 H new ATOM 0 HG21 ILE A 242 16.080 0.920 -5.183 1.00 1.00 H new ATOM 0 HG22 ILE A 242 15.450 2.302 -6.109 1.00 1.00 H new ATOM 0 HG23 ILE A 242 16.467 2.582 -4.677 1.00 1.00 H new ATOM 0 HD11 ILE A 242 13.835 0.433 -1.204 1.00 1.00 H new ATOM 0 HD12 ILE A 242 12.774 1.523 -2.129 1.00 1.00 H new ATOM 0 HD13 ILE A 242 13.261 -0.043 -2.820 1.00 1.00 H new ATOM 684 N ARG A 243 14.853 4.650 -5.986 1.00 1.00 N ATOM 685 CA ARG A 243 14.805 5.281 -7.335 1.00 1.00 C ATOM 686 C ARG A 243 15.878 4.677 -8.243 1.00 1.00 C ATOM 687 O ARG A 243 15.535 3.822 -9.044 1.00 1.00 O ATOM 688 CB ARG A 243 15.080 6.762 -7.091 1.00 1.00 C ATOM 689 CG ARG A 243 13.900 7.592 -7.600 1.00 1.00 C ATOM 690 CD ARG A 243 13.921 8.970 -6.936 1.00 1.00 C ATOM 691 NE ARG A 243 15.310 9.469 -7.133 1.00 1.00 N ATOM 692 CZ ARG A 243 15.677 9.936 -8.295 1.00 1.00 C ATOM 693 NH1 ARG A 243 14.922 10.796 -8.922 1.00 1.00 N ATOM 694 NH2 ARG A 243 16.802 9.544 -8.830 1.00 1.00 N ATOM 695 OXT ARG A 243 17.024 5.080 -8.125 1.00 0.00 O ATOM 0 H ARG A 243 15.737 4.756 -5.488 1.00 1.00 H new ATOM 0 HA ARG A 243 13.847 5.121 -7.830 1.00 1.00 H new ATOM 0 HB2 ARG A 243 15.234 6.944 -6.027 1.00 1.00 H new ATOM 0 HB3 ARG A 243 15.996 7.061 -7.601 1.00 1.00 H new ATOM 0 HG2 ARG A 243 13.957 7.698 -8.683 1.00 1.00 H new ATOM 0 HG3 ARG A 243 12.962 7.084 -7.378 1.00 1.00 H new ATOM 0 HD2 ARG A 243 13.192 9.640 -7.393 1.00 1.00 H new ATOM 0 HD3 ARG A 243 13.672 8.902 -5.877 1.00 1.00 H new ATOM 0 HE ARG A 243 15.975 9.446 -6.360 1.00 1.00 H new ATOM 0 HH11 ARG A 243 14.044 11.104 -8.504 1.00 1.00 H new ATOM 0 HH12 ARG A 243 15.210 11.160 -9.830 1.00 1.00 H new ATOM 0 HH21 ARG A 243 17.393 8.873 -8.340 1.00 1.00 H new ATOM 0 HH22 ARG A 243 17.089 9.909 -9.738 1.00 1.00 H new TER 709 ARG A 243 HETATM 710 ZN ZN A 244 3.900 -2.102 1.856 1.00 1.00 ZN