USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 404 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 Single : A 11 TYR OH : rot 180:sc= -0.18 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0491 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 21 ASN :FLIP amide:sc= 0.0833 F(o=-1.1,f=0.083) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -45:sc= 0.578 USER MOD Single : A 49 ASN : amide:sc= -0.0536 K(o=-0.054,f=-0.76) USER MOD Single : A 51 GLN : amide:sc= -0.0641 K(o=-0.064,f=-1.5) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 10 1.726 8.590 -0.987 1.00 0.00 N ATOM 94 CA GLU A 10 1.502 7.664 -2.091 1.00 0.00 C ATOM 95 C GLU A 10 1.925 6.248 -1.708 1.00 0.00 C ATOM 96 O GLU A 10 2.977 6.046 -1.100 1.00 0.00 O ATOM 97 CB GLU A 10 2.271 8.119 -3.333 1.00 0.00 C ATOM 98 CG GLU A 10 1.579 9.231 -4.103 1.00 0.00 C ATOM 99 CD GLU A 10 2.540 10.033 -4.960 1.00 0.00 C ATOM 100 OE1 GLU A 10 3.394 10.743 -4.389 1.00 0.00 O ATOM 101 OE2 GLU A 10 2.438 9.949 -6.202 1.00 0.00 O ATOM 0 HA GLU A 10 0.435 7.658 -2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.262 8.459 -3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.414 7.265 -3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.804 8.801 -4.738 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.081 9.899 -3.400 1.00 0.00 H new ATOM 108 N TYR A 11 1.099 5.273 -2.068 1.00 0.00 N ATOM 109 CA TYR A 11 1.385 3.876 -1.760 1.00 0.00 C ATOM 110 C TYR A 11 1.375 3.026 -3.027 1.00 0.00 C ATOM 111 O TYR A 11 0.412 3.047 -3.794 1.00 0.00 O ATOM 112 CB TYR A 11 0.364 3.333 -0.759 1.00 0.00 C ATOM 113 CG TYR A 11 0.681 3.681 0.678 1.00 0.00 C ATOM 114 CD1 TYR A 11 0.615 4.995 1.127 1.00 0.00 C ATOM 115 CD2 TYR A 11 1.046 2.696 1.587 1.00 0.00 C ATOM 116 CE1 TYR A 11 0.904 5.317 2.438 1.00 0.00 C ATOM 117 CE2 TYR A 11 1.335 3.009 2.902 1.00 0.00 C ATOM 118 CZ TYR A 11 1.263 4.321 3.322 1.00 0.00 C ATOM 119 OH TYR A 11 1.551 4.637 4.630 1.00 0.00 O ATOM 0 H TYR A 11 0.226 5.423 -2.573 1.00 0.00 H new ATOM 0 HA TYR A 11 2.380 3.824 -1.317 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.622 3.724 -1.010 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.311 2.249 -0.858 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.333 5.778 0.438 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.105 1.668 1.261 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.849 6.343 2.770 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.616 2.231 3.597 1.00 0.00 H new ATOM 0 HH TYR A 11 1.785 3.821 5.120 1.00 0.00 H new ATOM 129 N ARG A 12 2.452 2.277 -3.238 1.00 0.00 N ATOM 130 CA ARG A 12 2.568 1.419 -4.411 1.00 0.00 C ATOM 131 C ARG A 12 2.123 -0.005 -4.089 1.00 0.00 C ATOM 132 O ARG A 12 2.437 -0.538 -3.026 1.00 0.00 O ATOM 133 CB ARG A 12 4.010 1.411 -4.922 1.00 0.00 C ATOM 134 CG ARG A 12 4.187 0.664 -6.234 1.00 0.00 C ATOM 135 CD ARG A 12 5.354 1.216 -7.037 1.00 0.00 C ATOM 136 NE ARG A 12 6.638 0.721 -6.549 1.00 0.00 N ATOM 137 CZ ARG A 12 7.800 1.309 -6.810 1.00 0.00 C ATOM 138 NH1 ARG A 12 7.839 2.407 -7.551 1.00 0.00 N ATOM 139 NH2 ARG A 12 8.926 0.797 -6.330 1.00 0.00 N ATOM 0 H ARG A 12 3.257 2.247 -2.612 1.00 0.00 H new ATOM 0 HA ARG A 12 1.916 1.818 -5.188 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.346 2.440 -5.051 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.652 0.958 -4.166 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.352 -0.394 -6.032 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.272 0.738 -6.822 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.235 0.942 -8.085 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.344 2.305 -6.989 1.00 0.00 H new ATOM 0 HE ARG A 12 6.643 -0.123 -5.976 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.975 2.803 -7.922 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.733 2.857 -7.750 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.900 -0.049 -5.760 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.818 1.249 -6.531 1.00 0.00 H new ATOM 153 N ALA A 13 1.390 -0.613 -5.015 1.00 0.00 N ATOM 154 CA ALA A 13 0.903 -1.975 -4.831 1.00 0.00 C ATOM 155 C ALA A 13 2.049 -2.979 -4.882 1.00 0.00 C ATOM 156 O ALA A 13 3.104 -2.705 -5.457 1.00 0.00 O ATOM 157 CB ALA A 13 -0.142 -2.309 -5.886 1.00 0.00 C ATOM 0 H ALA A 13 1.120 -0.184 -5.900 1.00 0.00 H new ATOM 0 HA ALA A 13 0.442 -2.040 -3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.497 -3.329 -5.737 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.980 -1.617 -5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.301 -2.221 -6.878 1.00 0.00 H new ATOM 163 N LEU A 14 1.837 -4.143 -4.278 1.00 0.00 N ATOM 164 CA LEU A 14 2.853 -5.189 -4.254 1.00 0.00 C ATOM 165 C LEU A 14 2.360 -6.445 -4.966 1.00 0.00 C ATOM 166 O LEU A 14 3.144 -7.178 -5.568 1.00 0.00 O ATOM 167 CB LEU A 14 3.234 -5.524 -2.811 1.00 0.00 C ATOM 168 CG LEU A 14 3.888 -4.397 -2.010 1.00 0.00 C ATOM 169 CD1 LEU A 14 3.983 -4.773 -0.540 1.00 0.00 C ATOM 170 CD2 LEU A 14 5.266 -4.074 -2.570 1.00 0.00 C ATOM 0 H LEU A 14 0.970 -4.386 -3.798 1.00 0.00 H new ATOM 0 HA LEU A 14 3.733 -4.818 -4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.335 -5.843 -2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.915 -6.375 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 14 3.265 -3.507 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.451 -3.959 0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.983 -4.953 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.583 -5.677 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.716 -3.270 -1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.898 -4.960 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.172 -3.760 -3.610 1.00 0.00 H new ATOM 182 N TYR A 15 1.055 -6.684 -4.895 1.00 0.00 N ATOM 183 CA TYR A 15 0.456 -7.851 -5.532 1.00 0.00 C ATOM 184 C TYR A 15 -0.980 -7.562 -5.958 1.00 0.00 C ATOM 185 O TYR A 15 -1.801 -7.122 -5.154 1.00 0.00 O ATOM 186 CB TYR A 15 0.487 -9.049 -4.582 1.00 0.00 C ATOM 187 CG TYR A 15 1.806 -9.219 -3.863 1.00 0.00 C ATOM 188 CD1 TYR A 15 2.152 -8.392 -2.801 1.00 0.00 C ATOM 189 CD2 TYR A 15 2.708 -10.204 -4.247 1.00 0.00 C ATOM 190 CE1 TYR A 15 3.357 -8.543 -2.142 1.00 0.00 C ATOM 191 CE2 TYR A 15 3.914 -10.362 -3.593 1.00 0.00 C ATOM 192 CZ TYR A 15 4.234 -9.529 -2.541 1.00 0.00 C ATOM 193 OH TYR A 15 5.435 -9.683 -1.887 1.00 0.00 O ATOM 0 H TYR A 15 0.392 -6.085 -4.403 1.00 0.00 H new ATOM 0 HA TYR A 15 1.039 -8.087 -6.422 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.307 -8.937 -3.844 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.272 -9.956 -5.147 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.468 -7.618 -2.486 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.462 -10.857 -5.071 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.611 -7.892 -1.318 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.603 -11.134 -3.903 1.00 0.00 H new ATOM 0 HH TYR A 15 5.935 -10.423 -2.291 1.00 0.00 H new ATOM 203 N ASP A 16 -1.275 -7.813 -7.229 1.00 0.00 N ATOM 204 CA ASP A 16 -2.612 -7.582 -7.763 1.00 0.00 C ATOM 205 C ASP A 16 -3.662 -8.320 -6.938 1.00 0.00 C ATOM 206 O ASP A 16 -3.756 -9.546 -6.989 1.00 0.00 O ATOM 207 CB ASP A 16 -2.685 -8.031 -9.224 1.00 0.00 C ATOM 208 CG ASP A 16 -1.891 -9.297 -9.481 1.00 0.00 C ATOM 209 OD1 ASP A 16 -1.741 -10.105 -8.540 1.00 0.00 O ATOM 210 OD2 ASP A 16 -1.420 -9.480 -10.622 1.00 0.00 O ATOM 0 H ASP A 16 -0.606 -8.176 -7.908 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.819 -6.513 -7.708 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.727 -8.197 -9.498 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.310 -7.234 -9.865 1.00 0.00 H new ATOM 215 N TYR A 17 -4.448 -7.565 -6.179 1.00 0.00 N ATOM 216 CA TYR A 17 -5.489 -8.147 -5.340 1.00 0.00 C ATOM 217 C TYR A 17 -6.825 -8.181 -6.076 1.00 0.00 C ATOM 218 O TYR A 17 -7.160 -7.262 -6.824 1.00 0.00 O ATOM 219 CB TYR A 17 -5.629 -7.352 -4.041 1.00 0.00 C ATOM 220 CG TYR A 17 -7.004 -7.447 -3.419 1.00 0.00 C ATOM 221 CD1 TYR A 17 -7.360 -8.538 -2.634 1.00 0.00 C ATOM 222 CD2 TYR A 17 -7.947 -6.446 -3.615 1.00 0.00 C ATOM 223 CE1 TYR A 17 -8.615 -8.629 -2.065 1.00 0.00 C ATOM 224 CE2 TYR A 17 -9.204 -6.528 -3.048 1.00 0.00 C ATOM 225 CZ TYR A 17 -9.534 -7.621 -2.275 1.00 0.00 C ATOM 226 OH TYR A 17 -10.785 -7.708 -1.708 1.00 0.00 O ATOM 0 H TYR A 17 -4.384 -6.548 -6.127 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.200 -9.171 -5.102 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.890 -7.710 -3.324 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.400 -6.305 -4.239 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.643 -9.328 -2.466 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.693 -5.589 -4.221 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.876 -9.484 -1.459 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.925 -5.740 -3.209 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.310 -6.918 -1.952 1.00 0.00 H new ATOM 236 N THR A 18 -7.586 -9.249 -5.857 1.00 0.00 N ATOM 237 CA THR A 18 -8.886 -9.405 -6.497 1.00 0.00 C ATOM 238 C THR A 18 -10.016 -9.014 -5.552 1.00 0.00 C ATOM 239 O THR A 18 -10.215 -9.643 -4.513 1.00 0.00 O ATOM 240 CB THR A 18 -9.108 -10.854 -6.972 1.00 0.00 C ATOM 241 OG1 THR A 18 -8.066 -11.238 -7.877 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.459 -10.999 -7.655 1.00 0.00 C ATOM 0 H THR A 18 -7.324 -10.019 -5.241 1.00 0.00 H new ATOM 0 HA THR A 18 -8.894 -8.741 -7.361 1.00 0.00 H new ATOM 0 HB THR A 18 -9.089 -11.506 -6.099 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.213 -12.161 -8.173 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.593 -12.030 -7.982 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.251 -10.734 -6.954 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.503 -10.336 -8.519 1.00 0.00 H new ATOM 250 N ALA A 19 -10.754 -7.971 -5.919 1.00 0.00 N ATOM 251 CA ALA A 19 -11.866 -7.498 -5.104 1.00 0.00 C ATOM 252 C ALA A 19 -13.088 -8.394 -5.269 1.00 0.00 C ATOM 253 O ALA A 19 -13.589 -8.577 -6.379 1.00 0.00 O ATOM 254 CB ALA A 19 -12.210 -6.060 -5.465 1.00 0.00 C ATOM 0 H ALA A 19 -10.602 -7.438 -6.775 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.560 -7.536 -4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.042 -5.719 -4.849 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.343 -5.423 -5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.491 -6.006 -6.517 1.00 0.00 H new ATOM 260 N GLN A 20 -13.562 -8.951 -4.160 1.00 0.00 N ATOM 261 CA GLN A 20 -14.726 -9.830 -4.183 1.00 0.00 C ATOM 262 C GLN A 20 -15.993 -9.047 -4.511 1.00 0.00 C ATOM 263 O GLN A 20 -16.706 -9.370 -5.460 1.00 0.00 O ATOM 264 CB GLN A 20 -14.883 -10.538 -2.837 1.00 0.00 C ATOM 265 CG GLN A 20 -13.637 -11.288 -2.394 1.00 0.00 C ATOM 266 CD GLN A 20 -13.397 -12.549 -3.200 1.00 0.00 C ATOM 267 OE1 GLN A 20 -14.308 -13.352 -3.403 1.00 0.00 O ATOM 268 NE2 GLN A 20 -12.166 -12.730 -3.664 1.00 0.00 N ATOM 0 H GLN A 20 -13.158 -8.810 -3.234 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.571 -10.577 -4.962 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -15.143 -9.801 -2.077 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -15.716 -11.239 -2.900 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.771 -10.632 -2.486 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.730 -11.548 -1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.442 -12.038 -3.472 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.945 -13.561 -4.213 1.00 0.00 H new ATOM 277 N ASN A 21 -16.267 -8.016 -3.718 1.00 0.00 N ATOM 278 CA ASN A 21 -17.449 -7.187 -3.924 1.00 0.00 C ATOM 279 C ASN A 21 -17.178 -6.098 -4.957 1.00 0.00 C ATOM 280 O ASN A 21 -16.044 -5.658 -5.147 1.00 0.00 O ATOM 281 CB ASN A 21 -17.889 -6.554 -2.602 1.00 0.00 C ATOM 282 CG ASN A 21 -17.766 -7.511 -1.433 1.00 0.00 C ATOM 283 OD1 ASN A 21 -16.557 -7.642 -0.900 1.00 0.00 O flip ATOM 284 ND2 ASN A 21 -18.748 -8.125 -1.013 1.00 0.00 N flip ATOM 0 H ASN A 21 -15.687 -7.735 -2.927 1.00 0.00 H new ATOM 0 HA ASN A 21 -18.249 -7.826 -4.298 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -17.284 -5.668 -2.408 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -18.923 -6.221 -2.688 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -19.659 -7.993 -1.453 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -18.651 -8.765 -0.225 1.00 0.00 H new ATOM 291 N PRO A 22 -18.242 -5.653 -5.641 1.00 0.00 N ATOM 292 CA PRO A 22 -18.144 -4.609 -6.666 1.00 0.00 C ATOM 293 C PRO A 22 -17.830 -3.241 -6.071 1.00 0.00 C ATOM 294 O PRO A 22 -17.716 -2.251 -6.795 1.00 0.00 O ATOM 295 CB PRO A 22 -19.535 -4.609 -7.305 1.00 0.00 C ATOM 296 CG PRO A 22 -20.439 -5.140 -6.247 1.00 0.00 C ATOM 297 CD PRO A 22 -19.623 -6.133 -5.466 1.00 0.00 C ATOM 0 HA PRO A 22 -17.336 -4.804 -7.371 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -19.830 -3.605 -7.610 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -19.560 -5.234 -8.198 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -20.799 -4.338 -5.603 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.317 -5.615 -6.686 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -19.912 -6.152 -4.415 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -19.748 -7.146 -5.849 1.00 0.00 H new ATOM 305 N ASP A 23 -17.692 -3.192 -4.751 1.00 0.00 N ATOM 306 CA ASP A 23 -17.389 -1.944 -4.060 1.00 0.00 C ATOM 307 C ASP A 23 -15.882 -1.731 -3.958 1.00 0.00 C ATOM 308 O ASP A 23 -15.377 -0.652 -4.264 1.00 0.00 O ATOM 309 CB ASP A 23 -18.012 -1.947 -2.663 1.00 0.00 C ATOM 310 CG ASP A 23 -19.482 -2.318 -2.685 1.00 0.00 C ATOM 311 OD1 ASP A 23 -20.316 -1.423 -2.932 1.00 0.00 O ATOM 312 OD2 ASP A 23 -19.798 -3.505 -2.454 1.00 0.00 O ATOM 0 H ASP A 23 -17.785 -4.002 -4.138 1.00 0.00 H new ATOM 0 HA ASP A 23 -17.815 -1.124 -4.638 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -17.472 -2.651 -2.029 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -17.896 -0.960 -2.215 1.00 0.00 H new ATOM 317 N GLU A 24 -15.171 -2.767 -3.524 1.00 0.00 N ATOM 318 CA GLU A 24 -13.722 -2.691 -3.380 1.00 0.00 C ATOM 319 C GLU A 24 -13.046 -2.560 -4.742 1.00 0.00 C ATOM 320 O GLU A 24 -13.635 -2.883 -5.774 1.00 0.00 O ATOM 321 CB GLU A 24 -13.194 -3.930 -2.654 1.00 0.00 C ATOM 322 CG GLU A 24 -13.518 -3.950 -1.170 1.00 0.00 C ATOM 323 CD GLU A 24 -14.967 -3.606 -0.884 1.00 0.00 C ATOM 324 OE1 GLU A 24 -15.855 -4.360 -1.334 1.00 0.00 O ATOM 325 OE2 GLU A 24 -15.213 -2.583 -0.212 1.00 0.00 O ATOM 0 H GLU A 24 -15.574 -3.668 -3.266 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.487 -1.805 -2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.614 -4.821 -3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.113 -3.983 -2.782 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.297 -4.938 -0.767 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.871 -3.242 -0.651 1.00 0.00 H new ATOM 332 N LEU A 25 -11.807 -2.082 -4.737 1.00 0.00 N ATOM 333 CA LEU A 25 -11.049 -1.906 -5.971 1.00 0.00 C ATOM 334 C LEU A 25 -9.891 -2.896 -6.045 1.00 0.00 C ATOM 335 O LEU A 25 -9.171 -3.099 -5.067 1.00 0.00 O ATOM 336 CB LEU A 25 -10.518 -0.475 -6.068 1.00 0.00 C ATOM 337 CG LEU A 25 -11.518 0.582 -6.538 1.00 0.00 C ATOM 338 CD1 LEU A 25 -11.003 1.979 -6.230 1.00 0.00 C ATOM 339 CD2 LEU A 25 -11.795 0.429 -8.027 1.00 0.00 C ATOM 0 H LEU A 25 -11.305 -1.809 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.719 -2.096 -6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.143 -0.181 -5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.667 -0.470 -6.750 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.453 0.435 -5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.728 2.718 -6.572 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.857 2.084 -5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.054 2.138 -6.742 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.509 1.189 -8.344 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.866 0.549 -8.584 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.209 -0.561 -8.220 1.00 0.00 H new ATOM 351 N ASP A 26 -9.716 -3.508 -7.211 1.00 0.00 N ATOM 352 CA ASP A 26 -8.643 -4.475 -7.414 1.00 0.00 C ATOM 353 C ASP A 26 -7.302 -3.770 -7.585 1.00 0.00 C ATOM 354 O ASP A 26 -7.133 -2.943 -8.482 1.00 0.00 O ATOM 355 CB ASP A 26 -8.936 -5.345 -8.638 1.00 0.00 C ATOM 356 CG ASP A 26 -8.862 -4.563 -9.934 1.00 0.00 C ATOM 357 OD1 ASP A 26 -9.830 -3.838 -10.247 1.00 0.00 O ATOM 358 OD2 ASP A 26 -7.836 -4.676 -10.637 1.00 0.00 O ATOM 0 H ASP A 26 -10.303 -3.352 -8.030 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.589 -5.111 -6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.224 -6.169 -8.673 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.928 -5.785 -8.538 1.00 0.00 H new ATOM 363 N LEU A 27 -6.351 -4.101 -6.719 1.00 0.00 N ATOM 364 CA LEU A 27 -5.023 -3.498 -6.773 1.00 0.00 C ATOM 365 C LEU A 27 -4.203 -4.090 -7.915 1.00 0.00 C ATOM 366 O LEU A 27 -4.687 -4.935 -8.668 1.00 0.00 O ATOM 367 CB LEU A 27 -4.293 -3.705 -5.445 1.00 0.00 C ATOM 368 CG LEU A 27 -4.771 -2.845 -4.275 1.00 0.00 C ATOM 369 CD1 LEU A 27 -4.306 -3.435 -2.953 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.273 -1.415 -4.427 1.00 0.00 C ATOM 0 H LEU A 27 -6.474 -4.783 -5.971 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.143 -2.429 -6.952 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.387 -4.753 -5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.232 -3.511 -5.603 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.861 -2.832 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.656 -2.809 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.711 -4.441 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.217 -3.479 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.622 -0.817 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.183 -1.410 -4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.656 -0.993 -5.356 1.00 0.00 H new ATOM 382 N SER A 28 -2.957 -3.642 -8.036 1.00 0.00 N ATOM 383 CA SER A 28 -2.070 -4.125 -9.087 1.00 0.00 C ATOM 384 C SER A 28 -0.654 -3.594 -8.890 1.00 0.00 C ATOM 385 O SER A 28 -0.387 -2.411 -9.103 1.00 0.00 O ATOM 386 CB SER A 28 -2.597 -3.707 -10.462 1.00 0.00 C ATOM 387 OG SER A 28 -2.177 -4.613 -11.467 1.00 0.00 O ATOM 0 H SER A 28 -2.540 -2.945 -7.419 1.00 0.00 H new ATOM 0 HA SER A 28 -2.042 -5.213 -9.032 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.686 -3.663 -10.440 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.243 -2.704 -10.701 1.00 0.00 H new ATOM 0 HG SER A 28 -2.528 -4.324 -12.335 1.00 0.00 H new ATOM 393 N ALA A 29 0.251 -4.477 -8.481 1.00 0.00 N ATOM 394 CA ALA A 29 1.641 -4.099 -8.256 1.00 0.00 C ATOM 395 C ALA A 29 2.109 -3.085 -9.294 1.00 0.00 C ATOM 396 O ALA A 29 1.859 -3.245 -10.488 1.00 0.00 O ATOM 397 CB ALA A 29 2.534 -5.331 -8.278 1.00 0.00 C ATOM 0 H ALA A 29 0.046 -5.459 -8.299 1.00 0.00 H new ATOM 0 HA ALA A 29 1.710 -3.632 -7.274 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.569 -5.033 -8.109 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.222 -6.021 -7.494 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.452 -5.823 -9.247 1.00 0.00 H new ATOM 403 N GLY A 30 2.789 -2.041 -8.831 1.00 0.00 N ATOM 404 CA GLY A 30 3.280 -1.016 -9.733 1.00 0.00 C ATOM 405 C GLY A 30 2.332 0.161 -9.845 1.00 0.00 C ATOM 406 O GLY A 30 2.759 1.292 -10.081 1.00 0.00 O ATOM 0 H GLY A 30 3.009 -1.887 -7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.251 -0.664 -9.384 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.434 -1.450 -10.721 1.00 0.00 H new ATOM 410 N ASP A 31 1.041 -0.103 -9.677 1.00 0.00 N ATOM 411 CA ASP A 31 0.028 0.943 -9.761 1.00 0.00 C ATOM 412 C ASP A 31 0.144 1.907 -8.584 1.00 0.00 C ATOM 413 O ASP A 31 0.229 1.485 -7.430 1.00 0.00 O ATOM 414 CB ASP A 31 -1.371 0.327 -9.796 1.00 0.00 C ATOM 415 CG ASP A 31 -1.677 -0.341 -11.123 1.00 0.00 C ATOM 416 OD1 ASP A 31 -0.774 -1.002 -11.676 1.00 0.00 O ATOM 417 OD2 ASP A 31 -2.819 -0.201 -11.607 1.00 0.00 O ATOM 0 H ASP A 31 0.671 -1.033 -9.482 1.00 0.00 H new ATOM 0 HA ASP A 31 0.193 1.501 -10.683 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.462 -0.406 -8.994 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.112 1.103 -9.604 1.00 0.00 H new ATOM 422 N ILE A 32 0.147 3.201 -8.884 1.00 0.00 N ATOM 423 CA ILE A 32 0.253 4.224 -7.851 1.00 0.00 C ATOM 424 C ILE A 32 -1.126 4.667 -7.374 1.00 0.00 C ATOM 425 O ILE A 32 -2.021 4.925 -8.180 1.00 0.00 O ATOM 426 CB ILE A 32 1.030 5.454 -8.354 1.00 0.00 C ATOM 427 CG1 ILE A 32 2.431 5.047 -8.814 1.00 0.00 C ATOM 428 CG2 ILE A 32 1.112 6.512 -7.263 1.00 0.00 C ATOM 429 CD1 ILE A 32 3.236 4.339 -7.746 1.00 0.00 C ATOM 0 H ILE A 32 0.077 3.566 -9.834 1.00 0.00 H new ATOM 0 HA ILE A 32 0.797 3.777 -7.019 1.00 0.00 H new ATOM 0 HB ILE A 32 0.497 5.878 -9.205 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.344 4.396 -9.684 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.972 5.937 -9.135 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.664 7.375 -7.634 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.106 6.820 -6.978 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.625 6.100 -6.394 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.218 4.080 -8.142 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.354 4.996 -6.884 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.717 3.430 -7.441 1.00 0.00 H new ATOM 441 N LEU A 33 -1.291 4.757 -6.059 1.00 0.00 N ATOM 442 CA LEU A 33 -2.561 5.172 -5.473 1.00 0.00 C ATOM 443 C LEU A 33 -2.339 6.179 -4.349 1.00 0.00 C ATOM 444 O LEU A 33 -1.237 6.291 -3.813 1.00 0.00 O ATOM 445 CB LEU A 33 -3.321 3.956 -4.941 1.00 0.00 C ATOM 446 CG LEU A 33 -3.529 2.809 -5.930 1.00 0.00 C ATOM 447 CD1 LEU A 33 -3.793 1.507 -5.190 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.674 3.126 -6.881 1.00 0.00 C ATOM 0 H LEU A 33 -0.561 4.548 -5.378 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.154 5.651 -6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.786 3.569 -4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.298 4.288 -4.590 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.618 2.691 -6.517 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.939 0.702 -5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.942 1.273 -4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.688 1.612 -4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.808 2.299 -7.578 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.591 3.272 -6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.444 4.035 -7.437 1.00 0.00 H new ATOM 460 N GLU A 34 -3.394 6.907 -3.997 1.00 0.00 N ATOM 461 CA GLU A 34 -3.314 7.903 -2.935 1.00 0.00 C ATOM 462 C GLU A 34 -4.183 7.503 -1.746 1.00 0.00 C ATOM 463 O GLU A 34 -5.405 7.410 -1.860 1.00 0.00 O ATOM 464 CB GLU A 34 -3.746 9.274 -3.459 1.00 0.00 C ATOM 465 CG GLU A 34 -2.624 10.053 -4.124 1.00 0.00 C ATOM 466 CD GLU A 34 -3.137 11.139 -5.051 1.00 0.00 C ATOM 467 OE1 GLU A 34 -3.962 10.824 -5.934 1.00 0.00 O ATOM 468 OE2 GLU A 34 -2.713 12.303 -4.892 1.00 0.00 O ATOM 0 H GLU A 34 -4.313 6.826 -4.431 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.278 7.959 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.558 9.141 -4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.143 9.861 -2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.995 10.503 -3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.995 9.365 -4.689 1.00 0.00 H new ATOM 475 N VAL A 35 -3.543 7.267 -0.606 1.00 0.00 N ATOM 476 CA VAL A 35 -4.256 6.877 0.605 1.00 0.00 C ATOM 477 C VAL A 35 -4.962 8.072 1.236 1.00 0.00 C ATOM 478 O VAL A 35 -4.319 8.955 1.806 1.00 0.00 O ATOM 479 CB VAL A 35 -3.303 6.252 1.641 1.00 0.00 C ATOM 480 CG1 VAL A 35 -4.042 5.961 2.939 1.00 0.00 C ATOM 481 CG2 VAL A 35 -2.668 4.987 1.084 1.00 0.00 C ATOM 0 H VAL A 35 -2.532 7.339 -0.495 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.998 6.135 0.310 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.508 6.966 1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.353 5.520 3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.445 6.889 3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.858 5.265 2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.998 4.558 1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.448 4.266 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.103 5.229 0.184 1.00 0.00 H new ATOM 491 N ILE A 36 -6.286 8.094 1.130 1.00 0.00 N ATOM 492 CA ILE A 36 -7.079 9.180 1.692 1.00 0.00 C ATOM 493 C ILE A 36 -7.233 9.025 3.201 1.00 0.00 C ATOM 494 O ILE A 36 -7.193 10.006 3.945 1.00 0.00 O ATOM 495 CB ILE A 36 -8.477 9.247 1.049 1.00 0.00 C ATOM 496 CG1 ILE A 36 -8.358 9.365 -0.472 1.00 0.00 C ATOM 497 CG2 ILE A 36 -9.265 10.418 1.617 1.00 0.00 C ATOM 498 CD1 ILE A 36 -7.676 10.637 -0.927 1.00 0.00 C ATOM 0 H ILE A 36 -6.832 7.372 0.660 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.544 10.105 1.477 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.013 8.327 1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.802 8.508 -0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.355 9.319 -0.911 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.251 10.452 1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.375 10.294 2.694 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.734 11.348 1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.626 10.654 -2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.243 11.499 -0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.667 10.675 -0.517 1.00 0.00 H new ATOM 510 N LEU A 37 -7.407 7.786 3.648 1.00 0.00 N ATOM 511 CA LEU A 37 -7.565 7.501 5.070 1.00 0.00 C ATOM 512 C LEU A 37 -7.053 6.104 5.405 1.00 0.00 C ATOM 513 O LEU A 37 -7.113 5.195 4.577 1.00 0.00 O ATOM 514 CB LEU A 37 -9.034 7.629 5.476 1.00 0.00 C ATOM 515 CG LEU A 37 -9.305 7.811 6.970 1.00 0.00 C ATOM 516 CD1 LEU A 37 -9.113 9.265 7.373 1.00 0.00 C ATOM 517 CD2 LEU A 37 -10.708 7.339 7.319 1.00 0.00 C ATOM 0 H LEU A 37 -7.442 6.963 3.047 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.976 8.228 5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.465 8.477 4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.563 6.738 5.137 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.591 7.204 7.526 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.310 9.376 8.439 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.088 9.569 7.160 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.803 9.893 6.809 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.883 7.476 8.386 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.438 7.919 6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.810 6.283 7.067 1.00 0.00 H new ATOM 529 N GLU A 38 -6.551 5.940 6.625 1.00 0.00 N ATOM 530 CA GLU A 38 -6.030 4.652 7.070 1.00 0.00 C ATOM 531 C GLU A 38 -7.052 3.922 7.936 1.00 0.00 C ATOM 532 O GLU A 38 -7.633 4.501 8.852 1.00 0.00 O ATOM 533 CB GLU A 38 -4.729 4.846 7.851 1.00 0.00 C ATOM 534 CG GLU A 38 -3.598 5.421 7.015 1.00 0.00 C ATOM 535 CD GLU A 38 -2.440 5.915 7.862 1.00 0.00 C ATOM 536 OE1 GLU A 38 -2.650 6.158 9.069 1.00 0.00 O ATOM 537 OE2 GLU A 38 -1.325 6.058 7.318 1.00 0.00 O ATOM 0 H GLU A 38 -6.494 6.682 7.322 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.828 4.045 6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.918 5.508 8.696 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.415 3.886 8.261 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.239 4.659 6.323 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.979 6.245 6.412 1.00 0.00 H new ATOM 544 N GLY A 39 -7.267 2.644 7.637 1.00 0.00 N ATOM 545 CA GLY A 39 -8.219 1.854 8.396 1.00 0.00 C ATOM 546 C GLY A 39 -7.563 1.083 9.525 1.00 0.00 C ATOM 547 O GLY A 39 -6.403 0.687 9.422 1.00 0.00 O ATOM 0 H GLY A 39 -6.799 2.142 6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.986 2.511 8.806 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.722 1.155 7.727 1.00 0.00 H new ATOM 551 N GLU A 40 -8.308 0.872 10.606 1.00 0.00 N ATOM 552 CA GLU A 40 -7.790 0.145 11.759 1.00 0.00 C ATOM 553 C GLU A 40 -7.847 -1.361 11.524 1.00 0.00 C ATOM 554 O GLU A 40 -6.911 -2.089 11.856 1.00 0.00 O ATOM 555 CB GLU A 40 -8.583 0.507 13.016 1.00 0.00 C ATOM 556 CG GLU A 40 -7.912 0.068 14.307 1.00 0.00 C ATOM 557 CD GLU A 40 -6.530 0.666 14.479 1.00 0.00 C ATOM 558 OE1 GLU A 40 -6.340 1.841 14.103 1.00 0.00 O ATOM 559 OE2 GLU A 40 -5.637 -0.042 14.991 1.00 0.00 O ATOM 0 H GLU A 40 -9.271 1.194 10.707 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.748 0.433 11.900 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.732 1.586 13.043 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.571 0.050 12.956 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.536 0.356 15.153 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.838 -1.019 14.322 1.00 0.00 H new ATOM 566 N ASP A 41 -8.953 -1.822 10.950 1.00 0.00 N ATOM 567 CA ASP A 41 -9.134 -3.242 10.669 1.00 0.00 C ATOM 568 C ASP A 41 -8.199 -3.699 9.553 1.00 0.00 C ATOM 569 O ASP A 41 -7.673 -4.810 9.587 1.00 0.00 O ATOM 570 CB ASP A 41 -10.586 -3.526 10.282 1.00 0.00 C ATOM 571 CG ASP A 41 -11.573 -2.735 11.118 1.00 0.00 C ATOM 572 OD1 ASP A 41 -11.738 -3.065 12.311 1.00 0.00 O ATOM 573 OD2 ASP A 41 -12.181 -1.787 10.579 1.00 0.00 O ATOM 0 H ASP A 41 -9.738 -1.233 10.670 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.891 -3.800 11.573 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.732 -3.286 9.229 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.788 -4.591 10.397 1.00 0.00 H new ATOM 578 N GLY A 42 -7.997 -2.832 8.565 1.00 0.00 N ATOM 579 CA GLY A 42 -7.127 -3.166 7.452 1.00 0.00 C ATOM 580 C GLY A 42 -7.638 -2.622 6.133 1.00 0.00 C ATOM 581 O GLY A 42 -6.933 -2.657 5.125 1.00 0.00 O ATOM 0 H GLY A 42 -8.420 -1.905 8.516 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.130 -2.770 7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.031 -4.250 7.382 1.00 0.00 H new ATOM 585 N TRP A 43 -8.868 -2.120 6.139 1.00 0.00 N ATOM 586 CA TRP A 43 -9.474 -1.569 4.932 1.00 0.00 C ATOM 587 C TRP A 43 -8.989 -0.145 4.682 1.00 0.00 C ATOM 588 O TRP A 43 -9.459 0.800 5.314 1.00 0.00 O ATOM 589 CB TRP A 43 -10.999 -1.589 5.048 1.00 0.00 C ATOM 590 CG TRP A 43 -11.596 -2.940 4.797 1.00 0.00 C ATOM 591 CD1 TRP A 43 -12.478 -3.608 5.597 1.00 0.00 C ATOM 592 CD2 TRP A 43 -11.353 -3.788 3.669 1.00 0.00 C ATOM 593 NE1 TRP A 43 -12.798 -4.820 5.035 1.00 0.00 N ATOM 594 CE2 TRP A 43 -12.122 -4.954 3.851 1.00 0.00 C ATOM 595 CE3 TRP A 43 -10.563 -3.675 2.522 1.00 0.00 C ATOM 596 CZ2 TRP A 43 -12.121 -5.998 2.930 1.00 0.00 C ATOM 597 CZ3 TRP A 43 -10.563 -4.712 1.608 1.00 0.00 C ATOM 598 CH2 TRP A 43 -11.338 -5.860 1.816 1.00 0.00 C ATOM 0 H TRP A 43 -9.465 -2.083 6.965 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.173 -2.189 4.088 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -11.285 -1.253 6.045 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -11.420 -0.876 4.339 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.867 -3.238 6.534 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.436 -5.509 5.435 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.963 -2.793 2.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.717 -6.885 3.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.955 -4.636 0.719 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.317 -6.652 1.082 1.00 0.00 H new ATOM 609 N TRP A 44 -8.048 0.000 3.756 1.00 0.00 N ATOM 610 CA TRP A 44 -7.500 1.310 3.422 1.00 0.00 C ATOM 611 C TRP A 44 -8.302 1.967 2.304 1.00 0.00 C ATOM 612 O TRP A 44 -8.799 1.291 1.402 1.00 0.00 O ATOM 613 CB TRP A 44 -6.034 1.181 3.007 1.00 0.00 C ATOM 614 CG TRP A 44 -5.093 1.081 4.169 1.00 0.00 C ATOM 615 CD1 TRP A 44 -5.324 0.447 5.357 1.00 0.00 C ATOM 616 CD2 TRP A 44 -3.775 1.632 4.256 1.00 0.00 C ATOM 617 NE1 TRP A 44 -4.228 0.572 6.177 1.00 0.00 N ATOM 618 CE2 TRP A 44 -3.264 1.294 5.524 1.00 0.00 C ATOM 619 CE3 TRP A 44 -2.976 2.378 3.385 1.00 0.00 C ATOM 620 CZ2 TRP A 44 -1.992 1.677 5.940 1.00 0.00 C ATOM 621 CZ3 TRP A 44 -1.714 2.757 3.799 1.00 0.00 C ATOM 622 CH2 TRP A 44 -1.231 2.406 5.067 1.00 0.00 C ATOM 0 H TRP A 44 -7.649 -0.773 3.223 1.00 0.00 H new ATOM 0 HA TRP A 44 -7.565 1.940 4.309 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.918 0.298 2.378 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.759 2.043 2.399 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.234 -0.075 5.614 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.146 0.189 7.119 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.339 2.653 2.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.619 1.408 6.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.088 3.334 3.134 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.239 2.717 5.361 1.00 0.00 H new ATOM 633 N THR A 45 -8.426 3.289 2.368 1.00 0.00 N ATOM 634 CA THR A 45 -9.169 4.037 1.362 1.00 0.00 C ATOM 635 C THR A 45 -8.226 4.739 0.391 1.00 0.00 C ATOM 636 O THR A 45 -7.548 5.700 0.755 1.00 0.00 O ATOM 637 CB THR A 45 -10.094 5.084 2.009 1.00 0.00 C ATOM 638 OG1 THR A 45 -10.966 4.450 2.953 1.00 0.00 O ATOM 639 CG2 THR A 45 -10.919 5.804 0.953 1.00 0.00 C ATOM 0 H THR A 45 -8.021 3.864 3.107 1.00 0.00 H new ATOM 0 HA THR A 45 -9.776 3.315 0.816 1.00 0.00 H new ATOM 0 HB THR A 45 -9.473 5.817 2.524 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.329 3.628 2.562 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.565 6.539 1.434 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.253 6.309 0.253 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.531 5.081 0.414 1.00 0.00 H new ATOM 647 N VAL A 46 -8.188 4.254 -0.846 1.00 0.00 N ATOM 648 CA VAL A 46 -7.329 4.837 -1.869 1.00 0.00 C ATOM 649 C VAL A 46 -8.141 5.280 -3.081 1.00 0.00 C ATOM 650 O VAL A 46 -9.251 4.798 -3.306 1.00 0.00 O ATOM 651 CB VAL A 46 -6.246 3.842 -2.327 1.00 0.00 C ATOM 652 CG1 VAL A 46 -5.442 3.344 -1.136 1.00 0.00 C ATOM 653 CG2 VAL A 46 -6.875 2.680 -3.080 1.00 0.00 C ATOM 0 H VAL A 46 -8.742 3.459 -1.164 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.847 5.706 -1.420 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.565 4.358 -3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.682 2.642 -1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.961 4.189 -0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.107 2.844 -0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.096 1.987 -3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.578 2.162 -2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.402 3.057 -3.956 1.00 0.00 H new ATOM 663 N GLU A 47 -7.580 6.201 -3.859 1.00 0.00 N ATOM 664 CA GLU A 47 -8.253 6.709 -5.048 1.00 0.00 C ATOM 665 C GLU A 47 -7.669 6.085 -6.312 1.00 0.00 C ATOM 666 O GLU A 47 -6.451 6.045 -6.492 1.00 0.00 O ATOM 667 CB GLU A 47 -8.135 8.233 -5.117 1.00 0.00 C ATOM 668 CG GLU A 47 -9.272 8.898 -5.875 1.00 0.00 C ATOM 669 CD GLU A 47 -8.883 10.250 -6.440 1.00 0.00 C ATOM 670 OE1 GLU A 47 -8.070 10.287 -7.387 1.00 0.00 O ATOM 671 OE2 GLU A 47 -9.393 11.272 -5.935 1.00 0.00 O ATOM 0 H GLU A 47 -6.662 6.610 -3.687 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.306 6.436 -4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.103 8.633 -4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.190 8.495 -5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.592 8.247 -6.688 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.126 9.019 -5.209 1.00 0.00 H new ATOM 678 N ARG A 48 -8.545 5.598 -7.185 1.00 0.00 N ATOM 679 CA ARG A 48 -8.117 4.975 -8.431 1.00 0.00 C ATOM 680 C ARG A 48 -9.128 5.235 -9.545 1.00 0.00 C ATOM 681 O ARG A 48 -10.330 5.050 -9.361 1.00 0.00 O ATOM 682 CB ARG A 48 -7.934 3.469 -8.236 1.00 0.00 C ATOM 683 CG ARG A 48 -7.047 2.822 -9.287 1.00 0.00 C ATOM 684 CD ARG A 48 -6.759 1.366 -8.955 1.00 0.00 C ATOM 685 NE ARG A 48 -7.913 0.508 -9.212 1.00 0.00 N ATOM 686 CZ ARG A 48 -8.298 0.140 -10.429 1.00 0.00 C ATOM 687 NH1 ARG A 48 -7.626 0.553 -11.494 1.00 0.00 N ATOM 688 NH2 ARG A 48 -9.359 -0.643 -10.582 1.00 0.00 N ATOM 0 H ARG A 48 -9.556 5.623 -7.052 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.163 5.416 -8.719 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.506 3.288 -7.250 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.912 2.988 -8.252 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.531 2.885 -10.262 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.109 3.372 -9.361 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.911 1.020 -9.546 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.472 1.283 -7.907 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.452 0.173 -8.414 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.811 1.155 -11.381 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.924 0.269 -12.427 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.879 -0.962 -9.765 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.654 -0.925 -11.517 1.00 0.00 H new ATOM 702 N ASN A 49 -8.630 5.665 -10.700 1.00 0.00 N ATOM 703 CA ASN A 49 -9.490 5.952 -11.842 1.00 0.00 C ATOM 704 C ASN A 49 -10.595 6.931 -11.459 1.00 0.00 C ATOM 705 O ASN A 49 -11.730 6.813 -11.920 1.00 0.00 O ATOM 706 CB ASN A 49 -10.102 4.659 -12.383 1.00 0.00 C ATOM 707 CG ASN A 49 -10.483 4.767 -13.847 1.00 0.00 C ATOM 708 OD1 ASN A 49 -10.882 5.832 -14.319 1.00 0.00 O ATOM 709 ND2 ASN A 49 -10.362 3.662 -14.574 1.00 0.00 N ATOM 0 H ASN A 49 -7.637 5.822 -10.870 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.879 6.410 -12.620 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.391 3.843 -12.255 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.986 4.406 -11.798 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.604 3.674 -15.565 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.027 2.801 -14.141 1.00 0.00 H new ATOM 716 N GLY A 50 -10.255 7.898 -10.613 1.00 0.00 N ATOM 717 CA GLY A 50 -11.230 8.883 -10.182 1.00 0.00 C ATOM 718 C GLY A 50 -12.352 8.271 -9.367 1.00 0.00 C ATOM 719 O GLY A 50 -13.455 8.815 -9.313 1.00 0.00 O ATOM 0 H GLY A 50 -9.322 8.017 -10.218 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.730 9.649 -9.589 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.650 9.381 -11.056 1.00 0.00 H new ATOM 723 N GLN A 51 -12.071 7.137 -8.734 1.00 0.00 N ATOM 724 CA GLN A 51 -13.067 6.450 -7.920 1.00 0.00 C ATOM 725 C GLN A 51 -12.549 6.220 -6.505 1.00 0.00 C ATOM 726 O GLN A 51 -11.384 6.486 -6.209 1.00 0.00 O ATOM 727 CB GLN A 51 -13.447 5.114 -8.561 1.00 0.00 C ATOM 728 CG GLN A 51 -14.329 5.258 -9.791 1.00 0.00 C ATOM 729 CD GLN A 51 -15.132 4.006 -10.082 1.00 0.00 C ATOM 730 OE1 GLN A 51 -14.988 2.989 -9.402 1.00 0.00 O ATOM 731 NE2 GLN A 51 -15.986 4.073 -11.097 1.00 0.00 N ATOM 0 H GLN A 51 -11.163 6.675 -8.769 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.953 7.083 -7.864 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -12.537 4.581 -8.837 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.964 4.501 -7.823 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -15.010 6.097 -9.649 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -13.707 5.495 -10.654 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -16.073 4.936 -11.634 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -16.555 3.262 -11.340 1.00 0.00 H new ATOM 740 N ARG A 52 -13.422 5.724 -5.634 1.00 0.00 N ATOM 741 CA ARG A 52 -13.052 5.460 -4.248 1.00 0.00 C ATOM 742 C ARG A 52 -13.413 4.031 -3.853 1.00 0.00 C ATOM 743 O ARG A 52 -14.561 3.610 -3.985 1.00 0.00 O ATOM 744 CB ARG A 52 -13.750 6.450 -3.314 1.00 0.00 C ATOM 745 CG ARG A 52 -12.975 6.732 -2.037 1.00 0.00 C ATOM 746 CD ARG A 52 -13.761 7.631 -1.095 1.00 0.00 C ATOM 747 NE ARG A 52 -13.520 9.046 -1.362 1.00 0.00 N ATOM 748 CZ ARG A 52 -14.337 10.017 -0.970 1.00 0.00 C ATOM 749 NH1 ARG A 52 -15.443 9.727 -0.297 1.00 0.00 N ATOM 750 NH2 ARG A 52 -14.050 11.282 -1.250 1.00 0.00 N ATOM 0 H ARG A 52 -14.390 5.497 -5.863 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.973 5.583 -4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.910 7.388 -3.846 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.734 6.059 -3.053 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.743 5.792 -1.536 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.024 7.205 -2.284 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.825 7.419 -1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.487 7.405 -0.065 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.678 9.303 -1.878 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.668 8.756 -0.079 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.068 10.475 0.003 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.201 11.510 -1.767 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.679 12.026 -0.948 1.00 0.00 H new ATOM 764 N GLY A 53 -12.422 3.288 -3.367 1.00 0.00 N ATOM 765 CA GLY A 53 -12.655 1.915 -2.961 1.00 0.00 C ATOM 766 C GLY A 53 -11.899 1.547 -1.699 1.00 0.00 C ATOM 767 O GLY A 53 -11.282 2.403 -1.065 1.00 0.00 O ATOM 0 H GLY A 53 -11.463 3.613 -3.248 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.722 1.763 -2.799 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.357 1.245 -3.768 1.00 0.00 H new ATOM 771 N PHE A 54 -11.947 0.271 -1.334 1.00 0.00 N ATOM 772 CA PHE A 54 -11.263 -0.208 -0.138 1.00 0.00 C ATOM 773 C PHE A 54 -10.374 -1.405 -0.462 1.00 0.00 C ATOM 774 O PHE A 54 -10.818 -2.372 -1.082 1.00 0.00 O ATOM 775 CB PHE A 54 -12.281 -0.591 0.939 1.00 0.00 C ATOM 776 CG PHE A 54 -13.186 0.539 1.337 1.00 0.00 C ATOM 777 CD1 PHE A 54 -12.696 1.616 2.058 1.00 0.00 C ATOM 778 CD2 PHE A 54 -14.527 0.525 0.990 1.00 0.00 C ATOM 779 CE1 PHE A 54 -13.527 2.657 2.426 1.00 0.00 C ATOM 780 CE2 PHE A 54 -15.363 1.564 1.355 1.00 0.00 C ATOM 781 CZ PHE A 54 -14.862 2.631 2.073 1.00 0.00 C ATOM 0 H PHE A 54 -12.452 -0.450 -1.849 1.00 0.00 H new ATOM 0 HA PHE A 54 -10.633 0.599 0.237 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.887 -1.421 0.576 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -11.748 -0.947 1.821 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -11.653 1.642 2.336 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -14.924 -0.307 0.428 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.133 3.490 2.989 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.407 1.541 1.079 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.513 3.444 2.358 1.00 0.00 H new ATOM 791 N VAL A 55 -9.116 -1.333 -0.040 1.00 0.00 N ATOM 792 CA VAL A 55 -8.164 -2.409 -0.284 1.00 0.00 C ATOM 793 C VAL A 55 -7.304 -2.673 0.947 1.00 0.00 C ATOM 794 O VAL A 55 -7.042 -1.780 1.754 1.00 0.00 O ATOM 795 CB VAL A 55 -7.246 -2.087 -1.478 1.00 0.00 C ATOM 796 CG1 VAL A 55 -8.072 -1.766 -2.715 1.00 0.00 C ATOM 797 CG2 VAL A 55 -6.313 -0.935 -1.137 1.00 0.00 C ATOM 0 H VAL A 55 -8.732 -0.539 0.473 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.748 -3.301 -0.514 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.638 -2.965 -1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.407 -1.541 -3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.695 -2.624 -2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.707 -0.903 -2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.672 -0.721 -1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.901 -0.050 -0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.697 -1.207 -0.280 1.00 0.00 H new ATOM 807 N PRO A 56 -6.853 -3.927 1.097 1.00 0.00 N ATOM 808 CA PRO A 56 -6.015 -4.337 2.227 1.00 0.00 C ATOM 809 C PRO A 56 -4.614 -3.738 2.157 1.00 0.00 C ATOM 810 O PRO A 56 -4.014 -3.660 1.086 1.00 0.00 O ATOM 811 CB PRO A 56 -5.952 -5.860 2.087 1.00 0.00 C ATOM 812 CG PRO A 56 -6.186 -6.118 0.639 1.00 0.00 C ATOM 813 CD PRO A 56 -7.127 -5.041 0.174 1.00 0.00 C ATOM 0 HA PRO A 56 -6.422 -3.999 3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.984 -6.247 2.407 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.709 -6.346 2.703 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.250 -6.087 0.081 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.617 -7.107 0.483 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.936 -4.761 -0.862 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.167 -5.364 0.231 1.00 0.00 H new ATOM 821 N GLY A 57 -4.098 -3.316 3.308 1.00 0.00 N ATOM 822 CA GLY A 57 -2.772 -2.729 3.355 1.00 0.00 C ATOM 823 C GLY A 57 -1.676 -3.756 3.152 1.00 0.00 C ATOM 824 O GLY A 57 -0.626 -3.450 2.588 1.00 0.00 O ATOM 0 H GLY A 57 -4.575 -3.370 4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.691 -1.959 2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.630 -2.236 4.317 1.00 0.00 H new ATOM 828 N SER A 58 -1.920 -4.978 3.615 1.00 0.00 N ATOM 829 CA SER A 58 -0.943 -6.053 3.487 1.00 0.00 C ATOM 830 C SER A 58 -0.395 -6.123 2.064 1.00 0.00 C ATOM 831 O SER A 58 0.765 -6.475 1.850 1.00 0.00 O ATOM 832 CB SER A 58 -1.574 -7.393 3.869 1.00 0.00 C ATOM 833 OG SER A 58 -1.456 -7.635 5.260 1.00 0.00 O ATOM 0 H SER A 58 -2.786 -5.248 4.082 1.00 0.00 H new ATOM 0 HA SER A 58 -0.117 -5.842 4.166 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.626 -7.397 3.584 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.090 -8.197 3.315 1.00 0.00 H new ATOM 0 HG SER A 58 -1.869 -8.497 5.478 1.00 0.00 H new ATOM 839 N TYR A 59 -1.239 -5.784 1.096 1.00 0.00 N ATOM 840 CA TYR A 59 -0.842 -5.811 -0.307 1.00 0.00 C ATOM 841 C TYR A 59 -0.462 -4.415 -0.792 1.00 0.00 C ATOM 842 O TYR A 59 -0.674 -4.070 -1.955 1.00 0.00 O ATOM 843 CB TYR A 59 -1.975 -6.371 -1.169 1.00 0.00 C ATOM 844 CG TYR A 59 -2.187 -7.858 -0.997 1.00 0.00 C ATOM 845 CD1 TYR A 59 -1.135 -8.753 -1.155 1.00 0.00 C ATOM 846 CD2 TYR A 59 -3.439 -8.369 -0.679 1.00 0.00 C ATOM 847 CE1 TYR A 59 -1.324 -10.112 -1.000 1.00 0.00 C ATOM 848 CE2 TYR A 59 -3.637 -9.727 -0.520 1.00 0.00 C ATOM 849 CZ TYR A 59 -2.577 -10.595 -0.682 1.00 0.00 C ATOM 850 OH TYR A 59 -2.770 -11.948 -0.527 1.00 0.00 O ATOM 0 H TYR A 59 -2.202 -5.488 1.257 1.00 0.00 H new ATOM 0 HA TYR A 59 0.030 -6.459 -0.399 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.900 -5.850 -0.922 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.761 -6.162 -2.217 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.153 -8.379 -1.403 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.272 -7.693 -0.554 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.496 -10.793 -1.127 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.617 -10.107 -0.270 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.708 -12.121 -0.303 1.00 0.00 H new ATOM 860 N LEU A 60 0.101 -3.616 0.108 1.00 0.00 N ATOM 861 CA LEU A 60 0.512 -2.257 -0.226 1.00 0.00 C ATOM 862 C LEU A 60 1.857 -1.923 0.411 1.00 0.00 C ATOM 863 O LEU A 60 2.224 -2.489 1.441 1.00 0.00 O ATOM 864 CB LEU A 60 -0.547 -1.255 0.236 1.00 0.00 C ATOM 865 CG LEU A 60 -1.877 -1.289 -0.517 1.00 0.00 C ATOM 866 CD1 LEU A 60 -2.912 -0.426 0.188 1.00 0.00 C ATOM 867 CD2 LEU A 60 -1.688 -0.831 -1.956 1.00 0.00 C ATOM 0 H LEU A 60 0.283 -3.886 1.075 1.00 0.00 H new ATOM 0 HA LEU A 60 0.617 -2.191 -1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.747 -1.429 1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.130 -0.251 0.152 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.239 -2.317 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.852 -0.463 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.069 -0.800 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.558 0.604 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.645 -0.862 -2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.302 0.188 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.981 -1.491 -2.458 1.00 0.00 H new ATOM 879 N GLU A 61 2.586 -0.999 -0.207 1.00 0.00 N ATOM 880 CA GLU A 61 3.890 -0.589 0.302 1.00 0.00 C ATOM 881 C GLU A 61 3.969 0.929 0.436 1.00 0.00 C ATOM 882 O GLU A 61 3.574 1.665 -0.469 1.00 0.00 O ATOM 883 CB GLU A 61 5.002 -1.089 -0.622 1.00 0.00 C ATOM 884 CG GLU A 61 6.387 -0.604 -0.225 1.00 0.00 C ATOM 885 CD GLU A 61 7.077 -1.541 0.747 1.00 0.00 C ATOM 886 OE1 GLU A 61 6.597 -1.663 1.894 1.00 0.00 O ATOM 887 OE2 GLU A 61 8.096 -2.150 0.362 1.00 0.00 O ATOM 0 H GLU A 61 2.296 -0.521 -1.060 1.00 0.00 H new ATOM 0 HA GLU A 61 4.022 -1.031 1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.996 -2.179 -0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.790 -0.764 -1.641 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.001 -0.498 -1.119 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.306 0.385 0.225 1.00 0.00 H new ATOM 894 N LYS A 62 4.481 1.391 1.571 1.00 0.00 N ATOM 895 CA LYS A 62 4.614 2.821 1.826 1.00 0.00 C ATOM 896 C LYS A 62 5.893 3.368 1.201 1.00 0.00 C ATOM 897 O LYS A 62 6.992 2.896 1.497 1.00 0.00 O ATOM 898 CB LYS A 62 4.611 3.094 3.331 1.00 0.00 C ATOM 899 CG LYS A 62 4.407 4.557 3.684 1.00 0.00 C ATOM 900 CD LYS A 62 5.706 5.339 3.591 1.00 0.00 C ATOM 901 CE LYS A 62 5.697 6.547 4.516 1.00 0.00 C ATOM 902 NZ LYS A 62 5.022 7.718 3.892 1.00 0.00 N ATOM 0 H LYS A 62 4.811 0.795 2.330 1.00 0.00 H new ATOM 0 HA LYS A 62 3.763 3.327 1.370 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.823 2.503 3.797 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.556 2.755 3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.669 4.995 3.012 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.005 4.636 4.694 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.542 4.689 3.848 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.861 5.667 2.563 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.190 6.289 5.446 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.722 6.814 4.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.037 8.520 4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.520 7.981 3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.037 7.472 3.668 1.00 0.00 H new ATOM 916 N LEU A 63 5.745 4.367 0.338 1.00 0.00 N ATOM 917 CA LEU A 63 6.889 4.980 -0.327 1.00 0.00 C ATOM 918 C LEU A 63 7.626 5.924 0.618 1.00 0.00 C ATOM 919 O LEU A 63 7.109 6.978 0.986 1.00 0.00 O ATOM 920 CB LEU A 63 6.432 5.741 -1.573 1.00 0.00 C ATOM 921 CG LEU A 63 6.176 4.894 -2.820 1.00 0.00 C ATOM 922 CD1 LEU A 63 7.489 4.516 -3.488 1.00 0.00 C ATOM 923 CD2 LEU A 63 5.379 3.648 -2.464 1.00 0.00 C ATOM 0 H LEU A 63 4.843 4.770 0.082 1.00 0.00 H new ATOM 0 HA LEU A 63 7.574 4.186 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.516 6.280 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.187 6.489 -1.815 1.00 0.00 H new ATOM 0 HG LEU A 63 5.591 5.486 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.286 3.913 -4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.023 5.421 -3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.100 3.943 -2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.206 3.057 -3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.937 3.053 -1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.422 3.940 -2.032 1.00 0.00 H new