USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 502 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 354 THR OG1 : rot -23:sc= 0.829! USER MOD Set 1.2: A 358 ASN :FLIP amide:sc= 0.952 F(o=-0.096,f=1.8) USER MOD Set 2.1: A 340 LYS NZ :NH3+ -154:sc= -0.109 (180deg=-1.5) USER MOD Set 2.2: A 347 SER OG : rot 65:sc= 0.902 USER MOD Single : A 315 TYR OH : rot 180:sc= 0 USER MOD Single : A 321 ASN : amide:sc= -0.42 K(o=-0.42,f=-2.7!) USER MOD Single : A 324 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 329 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 330 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 334 MET CE :methyl -159:sc= -10.1! (180deg=-11.2!) USER MOD Single : A 338 SER OG : rot 154:sc= 1.03 USER MOD Single : A 339 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 355 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 356 ASN :FLIP amide:sc= -0.392 F(o=-0.96,f=-0.39) USER MOD Single : A 361 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 TYR OH : rot 180:sc= 0 USER MOD Single : A 365 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.2) USER MOD Single : A 366 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 310 6.528 12.720 -3.534 1.00 0.00 N ATOM 2 CA PHE A 310 5.556 11.752 -3.037 1.00 0.00 C ATOM 3 C PHE A 310 5.960 11.224 -1.663 1.00 0.00 C ATOM 4 O PHE A 310 5.763 11.901 -0.653 1.00 0.00 O ATOM 5 CB PHE A 310 5.378 10.596 -4.027 1.00 0.00 C ATOM 6 CG PHE A 310 4.668 10.962 -5.254 1.00 0.00 C ATOM 7 CD1 PHE A 310 5.353 11.454 -6.333 1.00 0.00 C ATOM 8 CD2 PHE A 310 3.316 10.777 -5.335 1.00 0.00 C ATOM 9 CE1 PHE A 310 4.694 11.767 -7.485 1.00 0.00 C ATOM 10 CE2 PHE A 310 2.643 11.080 -6.478 1.00 0.00 C ATOM 11 CZ PHE A 310 3.328 11.581 -7.569 1.00 0.00 C ATOM 0 HA PHE A 310 4.600 12.265 -2.935 1.00 0.00 H new ATOM 0 HB2 PHE A 310 6.360 10.204 -4.292 1.00 0.00 H new ATOM 0 HB3 PHE A 310 4.836 9.790 -3.533 1.00 0.00 H new ATOM 0 HD1 PHE A 310 6.422 11.595 -6.271 1.00 0.00 H new ATOM 0 HD2 PHE A 310 2.777 10.387 -4.484 1.00 0.00 H new ATOM 0 HE1 PHE A 310 5.239 12.160 -8.330 1.00 0.00 H new ATOM 0 HE2 PHE A 310 1.575 10.929 -6.533 1.00 0.00 H new ATOM 0 HZ PHE A 310 2.800 11.825 -8.479 1.00 0.00 H new ATOM 21 N ALA A 311 6.521 10.018 -1.620 1.00 0.00 N ATOM 22 CA ALA A 311 6.935 9.428 -0.357 1.00 0.00 C ATOM 23 C ALA A 311 8.268 8.706 -0.487 1.00 0.00 C ATOM 24 O ALA A 311 8.750 8.449 -1.590 1.00 0.00 O ATOM 25 CB ALA A 311 5.866 8.479 0.159 1.00 0.00 C ATOM 0 H ALA A 311 6.697 9.437 -2.440 1.00 0.00 H new ATOM 0 HA ALA A 311 7.066 10.238 0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 311 6.190 8.045 1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 311 4.936 9.027 0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 311 5.704 7.683 -0.568 1.00 0.00 H new ATOM 31 N ARG A 312 8.856 8.384 0.654 1.00 0.00 N ATOM 32 CA ARG A 312 10.131 7.687 0.695 1.00 0.00 C ATOM 33 C ARG A 312 10.033 6.479 1.614 1.00 0.00 C ATOM 34 O ARG A 312 9.066 6.340 2.361 1.00 0.00 O ATOM 35 CB ARG A 312 11.242 8.624 1.171 1.00 0.00 C ATOM 36 CG ARG A 312 12.611 8.269 0.628 1.00 0.00 C ATOM 37 CD ARG A 312 13.704 8.712 1.574 1.00 0.00 C ATOM 38 NE ARG A 312 14.112 10.094 1.333 1.00 0.00 N ATOM 39 CZ ARG A 312 15.340 10.448 0.963 1.00 0.00 C ATOM 40 NH1 ARG A 312 16.276 9.526 0.787 1.00 0.00 N ATOM 41 NH2 ARG A 312 15.630 11.727 0.767 1.00 0.00 N ATOM 0 H ARG A 312 8.466 8.597 1.572 1.00 0.00 H new ATOM 0 HA ARG A 312 10.375 7.349 -0.312 1.00 0.00 H new ATOM 0 HB2 ARG A 312 10.997 9.644 0.875 1.00 0.00 H new ATOM 0 HB3 ARG A 312 11.277 8.608 2.260 1.00 0.00 H new ATOM 0 HG2 ARG A 312 12.676 7.192 0.472 1.00 0.00 H new ATOM 0 HG3 ARG A 312 12.754 8.741 -0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 312 13.356 8.611 2.602 1.00 0.00 H new ATOM 0 HD3 ARG A 312 14.567 8.055 1.464 1.00 0.00 H new ATOM 0 HE ARG A 312 13.416 10.829 1.455 1.00 0.00 H new ATOM 0 HH11 ARG A 312 16.056 8.541 0.935 1.00 0.00 H new ATOM 0 HH12 ARG A 312 17.216 9.801 0.503 1.00 0.00 H new ATOM 0 HH21 ARG A 312 14.912 12.439 0.900 1.00 0.00 H new ATOM 0 HH22 ARG A 312 16.571 11.999 0.483 1.00 0.00 H new ATOM 55 N ALA A 313 11.023 5.603 1.549 1.00 0.00 N ATOM 56 CA ALA A 313 11.021 4.403 2.381 1.00 0.00 C ATOM 57 C ALA A 313 11.932 4.566 3.592 1.00 0.00 C ATOM 58 O ALA A 313 13.142 4.749 3.460 1.00 0.00 O ATOM 59 CB ALA A 313 11.451 3.193 1.566 1.00 0.00 C ATOM 0 H ALA A 313 11.833 5.696 0.936 1.00 0.00 H new ATOM 0 HA ALA A 313 10.003 4.249 2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 313 11.445 2.306 2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 313 10.760 3.050 0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 313 12.457 3.354 1.178 1.00 0.00 H new ATOM 65 N LEU A 314 11.328 4.492 4.777 1.00 0.00 N ATOM 66 CA LEU A 314 12.059 4.624 6.030 1.00 0.00 C ATOM 67 C LEU A 314 12.893 3.377 6.290 1.00 0.00 C ATOM 68 O LEU A 314 14.105 3.368 6.075 1.00 0.00 O ATOM 69 CB LEU A 314 11.085 4.843 7.189 1.00 0.00 C ATOM 70 CG LEU A 314 11.133 6.228 7.830 1.00 0.00 C ATOM 71 CD1 LEU A 314 9.745 6.650 8.279 1.00 0.00 C ATOM 72 CD2 LEU A 314 12.103 6.240 9.002 1.00 0.00 C ATOM 0 H LEU A 314 10.326 4.340 4.892 1.00 0.00 H new ATOM 0 HA LEU A 314 12.723 5.485 5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 314 10.072 4.662 6.829 1.00 0.00 H new ATOM 0 HB3 LEU A 314 11.288 4.098 7.958 1.00 0.00 H new ATOM 0 HG LEU A 314 11.487 6.942 7.087 1.00 0.00 H new ATOM 0 HD11 LEU A 314 9.795 7.639 8.734 1.00 0.00 H new ATOM 0 HD12 LEU A 314 9.077 6.680 7.418 1.00 0.00 H new ATOM 0 HD13 LEU A 314 9.365 5.934 9.008 1.00 0.00 H new ATOM 0 HD21 LEU A 314 12.124 7.235 9.447 1.00 0.00 H new ATOM 0 HD22 LEU A 314 11.780 5.515 9.749 1.00 0.00 H new ATOM 0 HD23 LEU A 314 13.101 5.978 8.651 1.00 0.00 H new ATOM 84 N TYR A 315 12.225 2.325 6.747 1.00 0.00 N ATOM 85 CA TYR A 315 12.888 1.061 7.029 1.00 0.00 C ATOM 86 C TYR A 315 12.544 0.033 5.959 1.00 0.00 C ATOM 87 O TYR A 315 11.492 0.119 5.324 1.00 0.00 O ATOM 88 CB TYR A 315 12.478 0.534 8.407 1.00 0.00 C ATOM 89 CG TYR A 315 12.364 1.609 9.465 1.00 0.00 C ATOM 90 CD1 TYR A 315 13.463 1.977 10.229 1.00 0.00 C ATOM 91 CD2 TYR A 315 11.156 2.255 9.699 1.00 0.00 C ATOM 92 CE1 TYR A 315 13.363 2.958 11.199 1.00 0.00 C ATOM 93 CE2 TYR A 315 11.048 3.237 10.666 1.00 0.00 C ATOM 94 CZ TYR A 315 12.154 3.585 11.412 1.00 0.00 C ATOM 95 OH TYR A 315 12.049 4.563 12.376 1.00 0.00 O ATOM 0 H TYR A 315 11.222 2.324 6.930 1.00 0.00 H new ATOM 0 HA TYR A 315 13.965 1.231 7.025 1.00 0.00 H new ATOM 0 HB2 TYR A 315 11.520 0.022 8.319 1.00 0.00 H new ATOM 0 HB3 TYR A 315 13.207 -0.207 8.733 1.00 0.00 H new ATOM 0 HD1 TYR A 315 14.412 1.489 10.063 1.00 0.00 H new ATOM 0 HD2 TYR A 315 10.288 1.986 9.116 1.00 0.00 H new ATOM 0 HE1 TYR A 315 14.227 3.231 11.786 1.00 0.00 H new ATOM 0 HE2 TYR A 315 10.102 3.729 10.836 1.00 0.00 H new ATOM 0 HH TYR A 315 11.130 4.904 12.397 1.00 0.00 H new ATOM 105 N ASP A 316 13.428 -0.940 5.764 1.00 0.00 N ATOM 106 CA ASP A 316 13.207 -1.984 4.772 1.00 0.00 C ATOM 107 C ASP A 316 11.850 -2.646 4.993 1.00 0.00 C ATOM 108 O ASP A 316 11.681 -3.424 5.933 1.00 0.00 O ATOM 109 CB ASP A 316 14.320 -3.033 4.852 1.00 0.00 C ATOM 110 CG ASP A 316 14.039 -4.250 3.991 1.00 0.00 C ATOM 111 OD1 ASP A 316 13.284 -5.137 4.443 1.00 0.00 O ATOM 112 OD2 ASP A 316 14.578 -4.318 2.866 1.00 0.00 O ATOM 0 H ASP A 316 14.304 -1.027 6.280 1.00 0.00 H new ATOM 0 HA ASP A 316 13.219 -1.530 3.781 1.00 0.00 H new ATOM 0 HB2 ASP A 316 15.262 -2.582 4.540 1.00 0.00 H new ATOM 0 HB3 ASP A 316 14.444 -3.347 5.888 1.00 0.00 H new ATOM 117 N PHE A 317 10.875 -2.334 4.136 1.00 0.00 N ATOM 118 CA PHE A 317 9.551 -2.907 4.275 1.00 0.00 C ATOM 119 C PHE A 317 9.500 -4.303 3.656 1.00 0.00 C ATOM 120 O PHE A 317 10.357 -4.657 2.845 1.00 0.00 O ATOM 121 CB PHE A 317 8.489 -1.988 3.662 1.00 0.00 C ATOM 122 CG PHE A 317 7.077 -2.385 3.978 1.00 0.00 C ATOM 123 CD1 PHE A 317 6.569 -2.264 5.265 1.00 0.00 C ATOM 124 CD2 PHE A 317 6.256 -2.886 2.984 1.00 0.00 C ATOM 125 CE1 PHE A 317 5.270 -2.638 5.547 1.00 0.00 C ATOM 126 CE2 PHE A 317 4.955 -3.259 3.260 1.00 0.00 C ATOM 127 CZ PHE A 317 4.462 -3.135 4.544 1.00 0.00 C ATOM 0 H PHE A 317 10.983 -1.694 3.349 1.00 0.00 H new ATOM 0 HA PHE A 317 9.330 -3.003 5.338 1.00 0.00 H new ATOM 0 HB2 PHE A 317 8.657 -0.971 4.016 1.00 0.00 H new ATOM 0 HB3 PHE A 317 8.617 -1.974 2.580 1.00 0.00 H new ATOM 0 HD1 PHE A 317 7.196 -1.874 6.053 1.00 0.00 H new ATOM 0 HD2 PHE A 317 6.637 -2.987 1.979 1.00 0.00 H new ATOM 0 HE1 PHE A 317 4.886 -2.542 6.552 1.00 0.00 H new ATOM 0 HE2 PHE A 317 4.325 -3.647 2.473 1.00 0.00 H new ATOM 0 HZ PHE A 317 3.445 -3.427 4.763 1.00 0.00 H new ATOM 137 N VAL A 318 8.505 -5.097 4.049 1.00 0.00 N ATOM 138 CA VAL A 318 8.364 -6.458 3.543 1.00 0.00 C ATOM 139 C VAL A 318 6.905 -6.913 3.610 1.00 0.00 C ATOM 140 O VAL A 318 6.204 -6.620 4.579 1.00 0.00 O ATOM 141 CB VAL A 318 9.251 -7.443 4.345 1.00 0.00 C ATOM 142 CG1 VAL A 318 8.693 -8.861 4.301 1.00 0.00 C ATOM 143 CG2 VAL A 318 10.682 -7.419 3.827 1.00 0.00 C ATOM 0 H VAL A 318 7.785 -4.819 4.716 1.00 0.00 H new ATOM 0 HA VAL A 318 8.690 -6.458 2.503 1.00 0.00 H new ATOM 0 HB VAL A 318 9.249 -7.116 5.385 1.00 0.00 H new ATOM 0 HG11 VAL A 318 9.341 -9.525 4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 318 7.691 -8.871 4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 318 8.648 -9.202 3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 318 11.289 -8.117 4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 318 10.694 -7.709 2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 318 11.089 -6.413 3.930 1.00 0.00 H new ATOM 153 N PRO A 319 6.428 -7.633 2.578 1.00 0.00 N ATOM 154 CA PRO A 319 5.048 -8.123 2.527 1.00 0.00 C ATOM 155 C PRO A 319 4.619 -8.830 3.806 1.00 0.00 C ATOM 156 O PRO A 319 4.980 -9.984 4.037 1.00 0.00 O ATOM 157 CB PRO A 319 5.064 -9.109 1.362 1.00 0.00 C ATOM 158 CG PRO A 319 6.150 -8.623 0.472 1.00 0.00 C ATOM 159 CD PRO A 319 7.194 -8.024 1.375 1.00 0.00 C ATOM 0 HA PRO A 319 4.339 -7.303 2.409 1.00 0.00 H new ATOM 0 HB2 PRO A 319 5.258 -10.125 1.706 1.00 0.00 H new ATOM 0 HB3 PRO A 319 4.105 -9.126 0.844 1.00 0.00 H new ATOM 0 HG2 PRO A 319 6.567 -9.440 -0.116 1.00 0.00 H new ATOM 0 HG3 PRO A 319 5.773 -7.882 -0.233 1.00 0.00 H new ATOM 0 HD2 PRO A 319 7.978 -8.743 1.614 1.00 0.00 H new ATOM 0 HD3 PRO A 319 7.680 -7.165 0.912 1.00 0.00 H new ATOM 167 N GLU A 320 3.832 -8.135 4.624 1.00 0.00 N ATOM 168 CA GLU A 320 3.335 -8.705 5.869 1.00 0.00 C ATOM 169 C GLU A 320 2.667 -10.042 5.589 1.00 0.00 C ATOM 170 O GLU A 320 2.776 -10.983 6.376 1.00 0.00 O ATOM 171 CB GLU A 320 2.344 -7.753 6.535 1.00 0.00 C ATOM 172 CG GLU A 320 3.005 -6.704 7.413 1.00 0.00 C ATOM 173 CD GLU A 320 2.839 -6.994 8.891 1.00 0.00 C ATOM 174 OE1 GLU A 320 3.337 -8.045 9.349 1.00 0.00 O ATOM 175 OE2 GLU A 320 2.212 -6.173 9.592 1.00 0.00 O ATOM 0 H GLU A 320 3.526 -7.178 4.446 1.00 0.00 H new ATOM 0 HA GLU A 320 4.175 -8.857 6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 320 1.759 -7.253 5.763 1.00 0.00 H new ATOM 0 HB3 GLU A 320 1.646 -8.333 7.139 1.00 0.00 H new ATOM 0 HG2 GLU A 320 4.067 -6.652 7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 320 2.579 -5.726 7.188 1.00 0.00 H new ATOM 182 N ASN A 321 1.992 -10.122 4.445 1.00 0.00 N ATOM 183 CA ASN A 321 1.324 -11.346 4.036 1.00 0.00 C ATOM 184 C ASN A 321 1.723 -11.689 2.606 1.00 0.00 C ATOM 185 O ASN A 321 1.751 -10.813 1.741 1.00 0.00 O ATOM 186 CB ASN A 321 -0.195 -11.192 4.137 1.00 0.00 C ATOM 187 CG ASN A 321 -0.880 -12.478 4.556 1.00 0.00 C ATOM 188 OD1 ASN A 321 -1.528 -13.143 3.746 1.00 0.00 O ATOM 189 ND2 ASN A 321 -0.743 -12.835 5.826 1.00 0.00 N ATOM 0 H ASN A 321 1.895 -9.349 3.786 1.00 0.00 H new ATOM 0 HA ASN A 321 1.629 -12.154 4.701 1.00 0.00 H new ATOM 0 HB2 ASN A 321 -0.431 -10.407 4.856 1.00 0.00 H new ATOM 0 HB3 ASN A 321 -0.590 -10.871 3.173 1.00 0.00 H new ATOM 0 HD21 ASN A 321 -1.183 -13.690 6.166 1.00 0.00 H new ATOM 0 HD22 ASN A 321 -0.197 -12.255 6.463 1.00 0.00 H new ATOM 196 N PRO A 322 2.049 -12.963 2.333 1.00 0.00 N ATOM 197 CA PRO A 322 2.450 -13.394 0.994 1.00 0.00 C ATOM 198 C PRO A 322 1.260 -13.489 0.047 1.00 0.00 C ATOM 199 O PRO A 322 1.141 -14.438 -0.729 1.00 0.00 O ATOM 200 CB PRO A 322 3.059 -14.775 1.238 1.00 0.00 C ATOM 201 CG PRO A 322 2.366 -15.284 2.454 1.00 0.00 C ATOM 202 CD PRO A 322 2.058 -14.078 3.302 1.00 0.00 C ATOM 0 HA PRO A 322 3.137 -12.693 0.520 1.00 0.00 H new ATOM 0 HB2 PRO A 322 2.899 -15.435 0.385 1.00 0.00 H new ATOM 0 HB3 PRO A 322 4.136 -14.711 1.393 1.00 0.00 H new ATOM 0 HG2 PRO A 322 1.452 -15.815 2.187 1.00 0.00 H new ATOM 0 HG3 PRO A 322 2.998 -15.989 2.995 1.00 0.00 H new ATOM 0 HD2 PRO A 322 1.097 -14.178 3.807 1.00 0.00 H new ATOM 0 HD3 PRO A 322 2.811 -13.930 4.076 1.00 0.00 H new ATOM 210 N GLU A 323 0.378 -12.496 0.120 1.00 0.00 N ATOM 211 CA GLU A 323 -0.807 -12.464 -0.723 1.00 0.00 C ATOM 212 C GLU A 323 -0.980 -11.095 -1.379 1.00 0.00 C ATOM 213 O GLU A 323 -1.440 -11.005 -2.517 1.00 0.00 O ATOM 214 CB GLU A 323 -2.051 -12.830 0.096 1.00 0.00 C ATOM 215 CG GLU A 323 -2.620 -11.677 0.909 1.00 0.00 C ATOM 216 CD GLU A 323 -3.991 -11.242 0.425 1.00 0.00 C ATOM 217 OE1 GLU A 323 -4.338 -11.550 -0.734 1.00 0.00 O ATOM 218 OE2 GLU A 323 -4.716 -10.591 1.206 1.00 0.00 O ATOM 0 H GLU A 323 0.464 -11.703 0.756 1.00 0.00 H new ATOM 0 HA GLU A 323 -0.680 -13.201 -1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 323 -2.822 -13.199 -0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 323 -1.801 -13.648 0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 323 -2.686 -11.973 1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 323 -1.936 -10.830 0.860 1.00 0.00 H new ATOM 225 N MET A 324 -0.615 -10.028 -0.663 1.00 0.00 N ATOM 226 CA MET A 324 -0.749 -8.681 -1.211 1.00 0.00 C ATOM 227 C MET A 324 0.036 -7.641 -0.413 1.00 0.00 C ATOM 228 O MET A 324 -0.436 -7.154 0.615 1.00 0.00 O ATOM 229 CB MET A 324 -2.220 -8.287 -1.199 1.00 0.00 C ATOM 230 CG MET A 324 -2.563 -7.143 -2.139 1.00 0.00 C ATOM 231 SD MET A 324 -4.325 -7.061 -2.516 1.00 0.00 S ATOM 232 CE MET A 324 -4.435 -5.452 -3.294 1.00 0.00 C ATOM 0 H MET A 324 -0.231 -10.071 0.281 1.00 0.00 H new ATOM 0 HA MET A 324 -0.346 -8.700 -2.224 1.00 0.00 H new ATOM 0 HB2 MET A 324 -2.820 -9.156 -1.468 1.00 0.00 H new ATOM 0 HB3 MET A 324 -2.502 -8.006 -0.184 1.00 0.00 H new ATOM 0 HG2 MET A 324 -2.247 -6.201 -1.690 1.00 0.00 H new ATOM 0 HG3 MET A 324 -2.002 -7.258 -3.066 1.00 0.00 H new ATOM 0 HE1 MET A 324 -5.468 -5.258 -3.584 1.00 0.00 H new ATOM 0 HE2 MET A 324 -4.104 -4.686 -2.593 1.00 0.00 H new ATOM 0 HE3 MET A 324 -3.800 -5.432 -4.180 1.00 0.00 H new ATOM 242 N GLU A 325 1.209 -7.268 -0.915 1.00 0.00 N ATOM 243 CA GLU A 325 2.024 -6.244 -0.270 1.00 0.00 C ATOM 244 C GLU A 325 3.201 -5.835 -1.140 1.00 0.00 C ATOM 245 O GLU A 325 3.513 -6.487 -2.136 1.00 0.00 O ATOM 246 CB GLU A 325 2.501 -6.673 1.110 1.00 0.00 C ATOM 247 CG GLU A 325 2.443 -5.545 2.127 1.00 0.00 C ATOM 248 CD GLU A 325 2.037 -6.024 3.507 1.00 0.00 C ATOM 249 OE1 GLU A 325 1.345 -7.059 3.598 1.00 0.00 O ATOM 250 OE2 GLU A 325 2.412 -5.363 4.497 1.00 0.00 O ATOM 0 H GLU A 325 1.616 -7.659 -1.765 1.00 0.00 H new ATOM 0 HA GLU A 325 1.380 -5.374 -0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 325 1.888 -7.504 1.460 1.00 0.00 H new ATOM 0 HB3 GLU A 325 3.525 -7.040 1.038 1.00 0.00 H new ATOM 0 HG2 GLU A 325 3.419 -5.064 2.186 1.00 0.00 H new ATOM 0 HG3 GLU A 325 1.735 -4.789 1.786 1.00 0.00 H new ATOM 257 N VAL A 326 3.850 -4.748 -0.749 1.00 0.00 N ATOM 258 CA VAL A 326 5.002 -4.234 -1.481 1.00 0.00 C ATOM 259 C VAL A 326 6.286 -4.408 -0.668 1.00 0.00 C ATOM 260 O VAL A 326 6.250 -4.457 0.560 1.00 0.00 O ATOM 261 CB VAL A 326 4.807 -2.744 -1.851 1.00 0.00 C ATOM 262 CG1 VAL A 326 3.912 -2.041 -0.841 1.00 0.00 C ATOM 263 CG2 VAL A 326 6.142 -2.032 -1.968 1.00 0.00 C ATOM 0 H VAL A 326 3.598 -4.202 0.075 1.00 0.00 H new ATOM 0 HA VAL A 326 5.091 -4.810 -2.402 1.00 0.00 H new ATOM 0 HB VAL A 326 4.315 -2.707 -2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 326 3.793 -0.996 -1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 326 2.936 -2.525 -0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 326 4.366 -2.098 0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 326 5.975 -0.987 -2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 326 6.669 -2.089 -1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 326 6.742 -2.508 -2.744 1.00 0.00 H new ATOM 273 N ALA A 327 7.420 -4.498 -1.363 1.00 0.00 N ATOM 274 CA ALA A 327 8.712 -4.658 -0.704 1.00 0.00 C ATOM 275 C ALA A 327 9.501 -3.351 -0.735 1.00 0.00 C ATOM 276 O ALA A 327 9.437 -2.602 -1.710 1.00 0.00 O ATOM 277 CB ALA A 327 9.507 -5.774 -1.364 1.00 0.00 C ATOM 0 H ALA A 327 7.468 -4.463 -2.381 1.00 0.00 H new ATOM 0 HA ALA A 327 8.535 -4.925 0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 327 10.468 -5.882 -0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 327 8.952 -6.709 -1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 327 9.671 -5.532 -2.414 1.00 0.00 H new ATOM 283 N LEU A 328 10.239 -3.081 0.339 1.00 0.00 N ATOM 284 CA LEU A 328 11.033 -1.859 0.434 1.00 0.00 C ATOM 285 C LEU A 328 12.403 -2.129 1.035 1.00 0.00 C ATOM 286 O LEU A 328 12.511 -2.774 2.076 1.00 0.00 O ATOM 287 CB LEU A 328 10.328 -0.831 1.311 1.00 0.00 C ATOM 288 CG LEU A 328 9.116 -0.136 0.689 1.00 0.00 C ATOM 289 CD1 LEU A 328 8.594 0.944 1.623 1.00 0.00 C ATOM 290 CD2 LEU A 328 9.453 0.455 -0.672 1.00 0.00 C ATOM 0 H LEU A 328 10.304 -3.691 1.154 1.00 0.00 H new ATOM 0 HA LEU A 328 11.151 -1.478 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 328 10.007 -1.325 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 328 11.053 -0.068 1.596 1.00 0.00 H new ATOM 0 HG LEU A 328 8.337 -0.884 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 328 7.731 1.432 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 328 8.299 0.494 2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 328 9.377 1.682 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 328 8.570 0.941 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 328 10.253 1.187 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 328 9.778 -0.340 -1.343 1.00 0.00 H new ATOM 302 N LYS A 329 13.439 -1.597 0.394 1.00 0.00 N ATOM 303 CA LYS A 329 14.802 -1.748 0.881 1.00 0.00 C ATOM 304 C LYS A 329 15.261 -0.442 1.520 1.00 0.00 C ATOM 305 O LYS A 329 15.491 0.540 0.816 1.00 0.00 O ATOM 306 CB LYS A 329 15.747 -2.132 -0.261 1.00 0.00 C ATOM 307 CG LYS A 329 15.066 -2.876 -1.399 1.00 0.00 C ATOM 308 CD LYS A 329 16.080 -3.560 -2.302 1.00 0.00 C ATOM 309 CE LYS A 329 15.406 -4.233 -3.487 1.00 0.00 C ATOM 310 NZ LYS A 329 16.392 -4.651 -4.522 1.00 0.00 N ATOM 0 H LYS A 329 13.358 -1.056 -0.467 1.00 0.00 H new ATOM 0 HA LYS A 329 14.823 -2.545 1.624 1.00 0.00 H new ATOM 0 HB2 LYS A 329 16.210 -1.228 -0.656 1.00 0.00 H new ATOM 0 HB3 LYS A 329 16.549 -2.753 0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 329 14.381 -3.619 -0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 329 14.468 -2.178 -1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 329 16.802 -2.827 -2.661 1.00 0.00 H new ATOM 0 HD3 LYS A 329 16.637 -4.302 -1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 329 14.850 -5.105 -3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 329 14.682 -3.549 -3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 15.893 -5.106 -5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 16.905 -3.816 -4.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 17.067 -5.324 -4.106 1.00 0.00 H new ATOM 324 N LYS A 330 15.362 -0.446 2.855 1.00 0.00 N ATOM 325 CA LYS A 330 15.765 0.733 3.633 1.00 0.00 C ATOM 326 C LYS A 330 16.409 1.808 2.772 1.00 0.00 C ATOM 327 O LYS A 330 17.442 1.586 2.140 1.00 0.00 O ATOM 328 CB LYS A 330 16.711 0.338 4.758 1.00 0.00 C ATOM 329 CG LYS A 330 16.158 0.647 6.126 1.00 0.00 C ATOM 330 CD LYS A 330 17.263 0.826 7.155 1.00 0.00 C ATOM 331 CE LYS A 330 16.737 0.666 8.572 1.00 0.00 C ATOM 332 NZ LYS A 330 17.372 -0.482 9.276 1.00 0.00 N ATOM 0 H LYS A 330 15.166 -1.267 3.427 1.00 0.00 H new ATOM 0 HA LYS A 330 14.852 1.153 4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 330 16.923 -0.729 4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 330 17.659 0.860 4.629 1.00 0.00 H new ATOM 0 HG2 LYS A 330 15.556 1.554 6.078 1.00 0.00 H new ATOM 0 HG3 LYS A 330 15.495 -0.159 6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 330 18.052 0.096 6.974 1.00 0.00 H new ATOM 0 HD3 LYS A 330 17.711 1.813 7.041 1.00 0.00 H new ATOM 0 HE2 LYS A 330 16.921 1.582 9.133 1.00 0.00 H new ATOM 0 HE3 LYS A 330 15.657 0.522 8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 330 16.985 -0.556 10.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 330 17.175 -1.360 8.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 330 18.400 -0.333 9.326 1.00 0.00 H new ATOM 346 N GLY A 331 15.772 2.972 2.744 1.00 0.00 N ATOM 347 CA GLY A 331 16.268 4.072 1.948 1.00 0.00 C ATOM 348 C GLY A 331 15.559 4.144 0.614 1.00 0.00 C ATOM 349 O GLY A 331 15.737 5.098 -0.144 1.00 0.00 O ATOM 0 H GLY A 331 14.916 3.172 3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 331 16.128 5.008 2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 331 17.340 3.954 1.788 1.00 0.00 H new ATOM 353 N ASP A 332 14.753 3.121 0.330 1.00 0.00 N ATOM 354 CA ASP A 332 14.016 3.043 -0.895 1.00 0.00 C ATOM 355 C ASP A 332 13.074 4.237 -1.037 1.00 0.00 C ATOM 356 O ASP A 332 13.072 5.132 -0.194 1.00 0.00 O ATOM 357 CB ASP A 332 13.246 1.719 -0.942 1.00 0.00 C ATOM 358 CG ASP A 332 12.770 1.369 -2.339 1.00 0.00 C ATOM 359 OD1 ASP A 332 13.601 0.907 -3.149 1.00 0.00 O ATOM 360 OD2 ASP A 332 11.569 1.559 -2.623 1.00 0.00 O ATOM 0 H ASP A 332 14.604 2.330 0.956 1.00 0.00 H new ATOM 0 HA ASP A 332 14.710 3.075 -1.735 1.00 0.00 H new ATOM 0 HB2 ASP A 332 13.885 0.918 -0.569 1.00 0.00 H new ATOM 0 HB3 ASP A 332 12.387 1.779 -0.274 1.00 0.00 H new ATOM 365 N LEU A 333 12.275 4.251 -2.095 1.00 0.00 N ATOM 366 CA LEU A 333 11.330 5.341 -2.315 1.00 0.00 C ATOM 367 C LEU A 333 9.984 4.787 -2.770 1.00 0.00 C ATOM 368 O LEU A 333 9.916 3.672 -3.287 1.00 0.00 O ATOM 369 CB LEU A 333 11.877 6.324 -3.352 1.00 0.00 C ATOM 370 CG LEU A 333 12.980 7.251 -2.843 1.00 0.00 C ATOM 371 CD1 LEU A 333 14.296 6.946 -3.540 1.00 0.00 C ATOM 372 CD2 LEU A 333 12.588 8.707 -3.047 1.00 0.00 C ATOM 0 H LEU A 333 12.261 3.525 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 333 11.190 5.874 -1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 333 12.262 5.758 -4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 333 11.053 6.934 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 333 13.111 7.078 -1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 333 15.070 7.616 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 333 14.582 5.913 -3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 333 14.181 7.090 -4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 333 13.385 9.353 -2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 333 12.429 8.896 -4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 333 11.669 8.916 -2.500 1.00 0.00 H new ATOM 384 N MET A 334 8.912 5.551 -2.557 1.00 0.00 N ATOM 385 CA MET A 334 7.572 5.097 -2.928 1.00 0.00 C ATOM 386 C MET A 334 6.587 6.259 -3.090 1.00 0.00 C ATOM 387 O MET A 334 6.745 7.318 -2.482 1.00 0.00 O ATOM 388 CB MET A 334 7.060 4.142 -1.857 1.00 0.00 C ATOM 389 CG MET A 334 7.541 2.718 -2.009 1.00 0.00 C ATOM 390 SD MET A 334 6.539 1.557 -1.047 1.00 0.00 S ATOM 391 CE MET A 334 6.008 2.580 0.325 1.00 0.00 C ATOM 0 H MET A 334 8.944 6.478 -2.134 1.00 0.00 H new ATOM 0 HA MET A 334 7.643 4.596 -3.893 1.00 0.00 H new ATOM 0 HB2 MET A 334 7.367 4.514 -0.879 1.00 0.00 H new ATOM 0 HB3 MET A 334 5.970 4.148 -1.873 1.00 0.00 H new ATOM 0 HG2 MET A 334 7.512 2.436 -3.062 1.00 0.00 H new ATOM 0 HG3 MET A 334 8.581 2.651 -1.689 1.00 0.00 H new ATOM 0 HE1 MET A 334 5.716 1.944 1.161 1.00 0.00 H new ATOM 0 HE2 MET A 334 6.827 3.230 0.632 1.00 0.00 H new ATOM 0 HE3 MET A 334 5.157 3.188 0.017 1.00 0.00 H new ATOM 401 N ALA A 335 5.551 6.039 -3.898 1.00 0.00 N ATOM 402 CA ALA A 335 4.518 7.049 -4.119 1.00 0.00 C ATOM 403 C ALA A 335 3.223 6.609 -3.450 1.00 0.00 C ATOM 404 O ALA A 335 2.620 5.620 -3.857 1.00 0.00 O ATOM 405 CB ALA A 335 4.295 7.275 -5.608 1.00 0.00 C ATOM 0 H ALA A 335 5.405 5.169 -4.411 1.00 0.00 H new ATOM 0 HA ALA A 335 4.847 7.991 -3.680 1.00 0.00 H new ATOM 0 HB1 ALA A 335 3.522 8.030 -5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 335 5.223 7.615 -6.067 1.00 0.00 H new ATOM 0 HB3 ALA A 335 3.980 6.342 -6.074 1.00 0.00 H new ATOM 411 N ILE A 336 2.802 7.325 -2.411 1.00 0.00 N ATOM 412 CA ILE A 336 1.592 6.947 -1.688 1.00 0.00 C ATOM 413 C ILE A 336 0.399 7.774 -2.129 1.00 0.00 C ATOM 414 O ILE A 336 0.532 8.944 -2.489 1.00 0.00 O ATOM 415 CB ILE A 336 1.766 7.101 -0.164 1.00 0.00 C ATOM 416 CG1 ILE A 336 2.573 8.360 0.159 1.00 0.00 C ATOM 417 CG2 ILE A 336 2.441 5.870 0.420 1.00 0.00 C ATOM 418 CD1 ILE A 336 1.723 9.593 0.372 1.00 0.00 C ATOM 0 H ILE A 336 3.272 8.157 -2.055 1.00 0.00 H new ATOM 0 HA ILE A 336 1.411 5.898 -1.923 1.00 0.00 H new ATOM 0 HB ILE A 336 0.779 7.200 0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 336 3.166 8.180 1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 336 3.274 8.549 -0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 336 2.556 5.995 1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 336 1.829 4.990 0.220 1.00 0.00 H new ATOM 0 HG23 ILE A 336 3.422 5.741 -0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 336 2.366 10.444 0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 336 1.149 9.800 -0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 336 1.040 9.425 1.205 1.00 0.00 H new ATOM 430 N LEU A 337 -0.764 7.132 -2.135 1.00 0.00 N ATOM 431 CA LEU A 337 -1.989 7.776 -2.576 1.00 0.00 C ATOM 432 C LEU A 337 -3.068 7.775 -1.492 1.00 0.00 C ATOM 433 O LEU A 337 -3.384 8.819 -0.922 1.00 0.00 O ATOM 434 CB LEU A 337 -2.497 7.054 -3.825 1.00 0.00 C ATOM 435 CG LEU A 337 -1.529 7.038 -5.018 1.00 0.00 C ATOM 436 CD1 LEU A 337 -0.860 8.394 -5.199 1.00 0.00 C ATOM 437 CD2 LEU A 337 -0.483 5.945 -4.845 1.00 0.00 C ATOM 0 H LEU A 337 -0.881 6.163 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 337 -1.768 8.820 -2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 337 -2.734 6.024 -3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 337 -3.429 7.523 -4.141 1.00 0.00 H new ATOM 0 HG LEU A 337 -2.107 6.825 -5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 337 -0.180 8.354 -6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 337 -1.621 9.154 -5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 337 -0.299 8.646 -4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 337 0.193 5.950 -5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 337 0.085 6.126 -3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 337 -0.977 4.976 -4.779 1.00 0.00 H new ATOM 449 N SER A 338 -3.645 6.603 -1.230 1.00 0.00 N ATOM 450 CA SER A 338 -4.707 6.470 -0.233 1.00 0.00 C ATOM 451 C SER A 338 -4.291 7.030 1.123 1.00 0.00 C ATOM 452 O SER A 338 -3.109 7.256 1.385 1.00 0.00 O ATOM 453 CB SER A 338 -5.120 5.005 -0.077 1.00 0.00 C ATOM 454 OG SER A 338 -5.198 4.637 1.290 1.00 0.00 O ATOM 0 H SER A 338 -3.395 5.730 -1.695 1.00 0.00 H new ATOM 0 HA SER A 338 -5.556 7.051 -0.593 1.00 0.00 H new ATOM 0 HB2 SER A 338 -6.086 4.844 -0.555 1.00 0.00 H new ATOM 0 HB3 SER A 338 -4.401 4.365 -0.588 1.00 0.00 H new ATOM 0 HG SER A 338 -5.834 3.899 1.394 1.00 0.00 H new ATOM 460 N LYS A 339 -5.285 7.243 1.981 1.00 0.00 N ATOM 461 CA LYS A 339 -5.063 7.767 3.319 1.00 0.00 C ATOM 462 C LYS A 339 -5.525 6.729 4.332 1.00 0.00 C ATOM 463 O LYS A 339 -5.059 5.590 4.300 1.00 0.00 O ATOM 464 CB LYS A 339 -5.851 9.060 3.474 1.00 0.00 C ATOM 465 CG LYS A 339 -5.110 10.295 2.978 1.00 0.00 C ATOM 466 CD LYS A 339 -4.818 10.222 1.485 1.00 0.00 C ATOM 467 CE LYS A 339 -6.045 10.568 0.657 1.00 0.00 C ATOM 468 NZ LYS A 339 -5.685 11.292 -0.594 1.00 0.00 N ATOM 0 H LYS A 339 -6.264 7.057 1.766 1.00 0.00 H new ATOM 0 HA LYS A 339 -4.006 7.976 3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 339 -6.791 8.969 2.930 1.00 0.00 H new ATOM 0 HB3 LYS A 339 -6.103 9.197 4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 339 -5.705 11.184 3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 339 -4.174 10.401 3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 339 -4.007 10.907 1.238 1.00 0.00 H new ATOM 0 HD3 LYS A 339 -4.477 9.219 1.229 1.00 0.00 H new ATOM 0 HE2 LYS A 339 -6.583 9.654 0.405 1.00 0.00 H new ATOM 0 HE3 LYS A 339 -6.722 11.183 1.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 -6.549 11.510 -1.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 -5.194 12.177 -0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 -5.060 10.695 -1.173 1.00 0.00 H new ATOM 482 N LYS A 340 -6.479 7.084 5.195 1.00 0.00 N ATOM 483 CA LYS A 340 -7.004 6.120 6.142 1.00 0.00 C ATOM 484 C LYS A 340 -7.898 5.137 5.387 1.00 0.00 C ATOM 485 O LYS A 340 -8.642 4.363 5.990 1.00 0.00 O ATOM 486 CB LYS A 340 -7.804 6.820 7.243 1.00 0.00 C ATOM 487 CG LYS A 340 -7.669 6.194 8.632 1.00 0.00 C ATOM 488 CD LYS A 340 -7.345 4.705 8.589 1.00 0.00 C ATOM 489 CE LYS A 340 -8.365 3.893 9.371 1.00 0.00 C ATOM 490 NZ LYS A 340 -7.730 3.103 10.461 1.00 0.00 N ATOM 0 H LYS A 340 -6.892 8.015 5.252 1.00 0.00 H new ATOM 0 HA LYS A 340 -6.178 5.589 6.616 1.00 0.00 H new ATOM 0 HB2 LYS A 340 -7.486 7.861 7.297 1.00 0.00 H new ATOM 0 HB3 LYS A 340 -8.857 6.822 6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 340 -6.886 6.714 9.184 1.00 0.00 H new ATOM 0 HG3 LYS A 340 -8.598 6.342 9.182 1.00 0.00 H new ATOM 0 HD2 LYS A 340 -7.324 4.365 7.553 1.00 0.00 H new ATOM 0 HD3 LYS A 340 -6.350 4.535 9.000 1.00 0.00 H new ATOM 0 HE2 LYS A 340 -9.112 4.563 9.796 1.00 0.00 H new ATOM 0 HE3 LYS A 340 -8.889 3.220 8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 340 -8.316 2.270 10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 340 -6.784 2.793 10.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 340 -7.645 3.693 11.313 1.00 0.00 H new ATOM 504 N ASP A 341 -7.819 5.202 4.049 1.00 0.00 N ATOM 505 CA ASP A 341 -8.609 4.350 3.165 1.00 0.00 C ATOM 506 C ASP A 341 -10.056 4.858 3.117 1.00 0.00 C ATOM 507 O ASP A 341 -10.351 5.868 3.753 1.00 0.00 O ATOM 508 CB ASP A 341 -8.541 2.891 3.641 1.00 0.00 C ATOM 509 CG ASP A 341 -7.706 2.017 2.725 1.00 0.00 C ATOM 510 OD1 ASP A 341 -6.905 2.572 1.942 1.00 0.00 O ATOM 511 OD2 ASP A 341 -7.852 0.779 2.788 1.00 0.00 O ATOM 0 H ASP A 341 -7.204 5.849 3.555 1.00 0.00 H new ATOM 0 HA ASP A 341 -8.200 4.390 2.155 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -8.123 2.860 4.647 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -9.551 2.485 3.703 1.00 0.00 H new ATOM 516 N PRO A 342 -10.981 4.190 2.368 1.00 0.00 N ATOM 517 CA PRO A 342 -12.378 4.608 2.268 1.00 0.00 C ATOM 518 C PRO A 342 -12.839 5.393 3.490 1.00 0.00 C ATOM 519 O PRO A 342 -13.428 6.467 3.367 1.00 0.00 O ATOM 520 CB PRO A 342 -13.092 3.268 2.163 1.00 0.00 C ATOM 521 CG PRO A 342 -12.151 2.403 1.379 1.00 0.00 C ATOM 522 CD PRO A 342 -10.758 2.979 1.554 1.00 0.00 C ATOM 0 HA PRO A 342 -12.569 5.285 1.435 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -13.292 2.846 3.148 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -14.053 3.368 1.658 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -12.189 1.373 1.735 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -12.431 2.387 0.326 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -10.094 2.276 2.056 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -10.301 3.220 0.594 1.00 0.00 H new ATOM 530 N LEU A 343 -12.520 4.873 4.670 1.00 0.00 N ATOM 531 CA LEU A 343 -12.851 5.547 5.915 1.00 0.00 C ATOM 532 C LEU A 343 -11.691 6.456 6.298 1.00 0.00 C ATOM 533 O LEU A 343 -10.841 6.078 7.102 1.00 0.00 O ATOM 534 CB LEU A 343 -13.118 4.530 7.027 1.00 0.00 C ATOM 535 CG LEU A 343 -13.751 3.216 6.565 1.00 0.00 C ATOM 536 CD1 LEU A 343 -13.280 2.061 7.434 1.00 0.00 C ATOM 537 CD2 LEU A 343 -15.269 3.320 6.589 1.00 0.00 C ATOM 0 H LEU A 343 -12.032 3.985 4.788 1.00 0.00 H new ATOM 0 HA LEU A 343 -13.757 6.138 5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -12.176 4.306 7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -13.771 4.989 7.769 1.00 0.00 H new ATOM 0 HG LEU A 343 -13.435 3.023 5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -13.741 1.135 7.090 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -12.196 1.973 7.366 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -13.565 2.245 8.470 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -15.704 2.377 6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -15.603 3.537 7.604 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -15.589 4.121 5.923 1.00 0.00 H new ATOM 549 N GLY A 344 -11.645 7.636 5.681 1.00 0.00 N ATOM 550 CA GLY A 344 -10.565 8.580 5.927 1.00 0.00 C ATOM 551 C GLY A 344 -10.526 9.107 7.347 1.00 0.00 C ATOM 552 O GLY A 344 -10.816 10.278 7.592 1.00 0.00 O ATOM 0 H GLY A 344 -12.343 7.957 5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 344 -9.614 8.097 5.702 1.00 0.00 H new ATOM 0 HA3 GLY A 344 -10.666 9.420 5.240 1.00 0.00 H new ATOM 556 N ARG A 345 -10.164 8.240 8.284 1.00 0.00 N ATOM 557 CA ARG A 345 -10.082 8.608 9.679 1.00 0.00 C ATOM 558 C ARG A 345 -8.642 8.801 10.124 1.00 0.00 C ATOM 559 O ARG A 345 -7.759 9.083 9.312 1.00 0.00 O ATOM 560 CB ARG A 345 -10.739 7.530 10.514 1.00 0.00 C ATOM 561 CG ARG A 345 -11.522 8.093 11.679 1.00 0.00 C ATOM 562 CD ARG A 345 -12.609 7.146 12.144 1.00 0.00 C ATOM 563 NE ARG A 345 -13.258 6.458 11.031 1.00 0.00 N ATOM 564 CZ ARG A 345 -13.680 5.198 11.086 1.00 0.00 C ATOM 565 NH1 ARG A 345 -13.515 4.487 12.194 1.00 0.00 N ATOM 566 NH2 ARG A 345 -14.267 4.648 10.032 1.00 0.00 N ATOM 0 H ARG A 345 -9.921 7.268 8.093 1.00 0.00 H new ATOM 0 HA ARG A 345 -10.599 9.558 9.816 1.00 0.00 H new ATOM 0 HB2 ARG A 345 -11.406 6.943 9.883 1.00 0.00 H new ATOM 0 HB3 ARG A 345 -9.974 6.850 10.890 1.00 0.00 H new ATOM 0 HG2 ARG A 345 -10.843 8.299 12.506 1.00 0.00 H new ATOM 0 HG3 ARG A 345 -11.969 9.044 11.389 1.00 0.00 H new ATOM 0 HD2 ARG A 345 -12.180 6.409 12.823 1.00 0.00 H new ATOM 0 HD3 ARG A 345 -13.356 7.703 12.709 1.00 0.00 H new ATOM 0 HE ARG A 345 -13.395 6.973 10.162 1.00 0.00 H new ATOM 0 HH11 ARG A 345 -13.063 4.907 13.007 1.00 0.00 H new ATOM 0 HH12 ARG A 345 -13.840 3.521 12.233 1.00 0.00 H new ATOM 0 HH21 ARG A 345 -14.395 5.191 9.178 1.00 0.00 H new ATOM 0 HH22 ARG A 345 -14.590 3.682 10.075 1.00 0.00 H new ATOM 580 N ASP A 346 -8.413 8.653 11.423 1.00 0.00 N ATOM 581 CA ASP A 346 -7.079 8.814 11.980 1.00 0.00 C ATOM 582 C ASP A 346 -6.387 7.465 12.168 1.00 0.00 C ATOM 583 O ASP A 346 -6.909 6.570 12.832 1.00 0.00 O ATOM 584 CB ASP A 346 -7.153 9.577 13.305 1.00 0.00 C ATOM 585 CG ASP A 346 -6.585 8.797 14.476 1.00 0.00 C ATOM 586 OD1 ASP A 346 -5.366 8.902 14.724 1.00 0.00 O ATOM 587 OD2 ASP A 346 -7.360 8.081 15.143 1.00 0.00 O ATOM 0 H ASP A 346 -9.133 8.422 12.108 1.00 0.00 H new ATOM 0 HA ASP A 346 -6.482 9.391 11.274 1.00 0.00 H new ATOM 0 HB2 ASP A 346 -6.611 10.518 13.206 1.00 0.00 H new ATOM 0 HB3 ASP A 346 -8.193 9.829 13.514 1.00 0.00 H new ATOM 592 N SER A 347 -5.203 7.351 11.567 1.00 0.00 N ATOM 593 CA SER A 347 -4.382 6.139 11.627 1.00 0.00 C ATOM 594 C SER A 347 -3.285 6.225 10.576 1.00 0.00 C ATOM 595 O SER A 347 -3.426 6.954 9.593 1.00 0.00 O ATOM 596 CB SER A 347 -5.219 4.881 11.386 1.00 0.00 C ATOM 597 OG SER A 347 -5.586 4.269 12.610 1.00 0.00 O ATOM 0 H SER A 347 -4.782 8.102 11.020 1.00 0.00 H new ATOM 0 HA SER A 347 -3.948 6.070 12.625 1.00 0.00 H new ATOM 0 HB2 SER A 347 -6.115 5.140 10.822 1.00 0.00 H new ATOM 0 HB3 SER A 347 -4.653 4.175 10.778 1.00 0.00 H new ATOM 0 HG SER A 347 -6.177 4.869 13.111 1.00 0.00 H new ATOM 603 N ASP A 348 -2.192 5.496 10.774 1.00 0.00 N ATOM 604 CA ASP A 348 -1.103 5.538 9.815 1.00 0.00 C ATOM 605 C ASP A 348 -1.045 4.259 8.981 1.00 0.00 C ATOM 606 O ASP A 348 -0.415 3.272 9.363 1.00 0.00 O ATOM 607 CB ASP A 348 0.182 5.717 10.586 1.00 0.00 C ATOM 608 CG ASP A 348 0.123 6.889 11.548 1.00 0.00 C ATOM 609 OD1 ASP A 348 -0.625 7.849 11.267 1.00 0.00 O ATOM 610 OD2 ASP A 348 0.826 6.847 12.578 1.00 0.00 O ATOM 0 H ASP A 348 -2.041 4.882 11.574 1.00 0.00 H new ATOM 0 HA ASP A 348 -1.257 6.365 9.122 1.00 0.00 H new ATOM 0 HB2 ASP A 348 0.398 4.805 11.142 1.00 0.00 H new ATOM 0 HB3 ASP A 348 1.004 5.866 9.886 1.00 0.00 H new ATOM 615 N TRP A 349 -1.667 4.314 7.810 1.00 0.00 N ATOM 616 CA TRP A 349 -1.700 3.183 6.888 1.00 0.00 C ATOM 617 C TRP A 349 -2.151 3.660 5.518 1.00 0.00 C ATOM 618 O TRP A 349 -3.317 4.003 5.328 1.00 0.00 O ATOM 619 CB TRP A 349 -2.670 2.115 7.401 1.00 0.00 C ATOM 620 CG TRP A 349 -2.004 0.853 7.853 1.00 0.00 C ATOM 621 CD1 TRP A 349 -1.969 0.357 9.126 1.00 0.00 C ATOM 622 CD2 TRP A 349 -1.284 -0.079 7.040 1.00 0.00 C ATOM 623 NE1 TRP A 349 -1.272 -0.825 9.152 1.00 0.00 N ATOM 624 CE2 TRP A 349 -0.841 -1.114 7.885 1.00 0.00 C ATOM 625 CE3 TRP A 349 -0.970 -0.142 5.678 1.00 0.00 C ATOM 626 CZ2 TRP A 349 -0.101 -2.196 7.414 1.00 0.00 C ATOM 627 CZ3 TRP A 349 -0.237 -1.212 5.216 1.00 0.00 C ATOM 628 CH2 TRP A 349 0.192 -2.228 6.078 1.00 0.00 C ATOM 0 H TRP A 349 -2.161 5.140 7.472 1.00 0.00 H new ATOM 0 HA TRP A 349 -0.701 2.752 6.817 1.00 0.00 H new ATOM 0 HB2 TRP A 349 -3.243 2.528 8.231 1.00 0.00 H new ATOM 0 HB3 TRP A 349 -3.381 1.875 6.611 1.00 0.00 H new ATOM 0 HD1 TRP A 349 -2.423 0.827 9.986 1.00 0.00 H new ATOM 0 HE1 TRP A 349 -1.103 -1.395 9.980 1.00 0.00 H new ATOM 0 HE3 TRP A 349 -1.296 0.634 5.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 349 0.229 -2.981 8.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 349 0.012 -1.269 4.167 1.00 0.00 H new ATOM 0 HH2 TRP A 349 0.765 -3.053 5.681 1.00 0.00 H new ATOM 639 N TRP A 350 -1.224 3.708 4.577 1.00 0.00 N ATOM 640 CA TRP A 350 -1.531 4.181 3.237 1.00 0.00 C ATOM 641 C TRP A 350 -1.211 3.146 2.172 1.00 0.00 C ATOM 642 O TRP A 350 -0.530 2.158 2.427 1.00 0.00 O ATOM 643 CB TRP A 350 -0.755 5.461 2.940 1.00 0.00 C ATOM 644 CG TRP A 350 -1.041 6.577 3.900 1.00 0.00 C ATOM 645 CD1 TRP A 350 -2.159 6.748 4.669 1.00 0.00 C ATOM 646 CD2 TRP A 350 -0.184 7.678 4.191 1.00 0.00 C ATOM 647 NE1 TRP A 350 -2.041 7.892 5.421 1.00 0.00 N ATOM 648 CE2 TRP A 350 -0.836 8.480 5.144 1.00 0.00 C ATOM 649 CE3 TRP A 350 1.075 8.060 3.735 1.00 0.00 C ATOM 650 CZ2 TRP A 350 -0.266 9.645 5.649 1.00 0.00 C ATOM 651 CZ3 TRP A 350 1.641 9.212 4.233 1.00 0.00 C ATOM 652 CH2 TRP A 350 0.971 9.994 5.183 1.00 0.00 C ATOM 0 H TRP A 350 -0.254 3.426 4.715 1.00 0.00 H new ATOM 0 HA TRP A 350 -2.603 4.374 3.207 1.00 0.00 H new ATOM 0 HB2 TRP A 350 0.312 5.241 2.960 1.00 0.00 H new ATOM 0 HB3 TRP A 350 -0.993 5.793 1.929 1.00 0.00 H new ATOM 0 HD1 TRP A 350 -3.009 6.082 4.683 1.00 0.00 H new ATOM 0 HE1 TRP A 350 -2.737 8.245 6.078 1.00 0.00 H new ATOM 0 HE3 TRP A 350 1.599 7.463 3.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 350 -0.781 10.250 6.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 350 2.617 9.518 3.886 1.00 0.00 H new ATOM 0 HH2 TRP A 350 1.442 10.892 5.555 1.00 0.00 H new ATOM 663 N LYS A 351 -1.686 3.415 0.968 1.00 0.00 N ATOM 664 CA LYS A 351 -1.444 2.554 -0.174 1.00 0.00 C ATOM 665 C LYS A 351 -0.333 3.185 -0.995 1.00 0.00 C ATOM 666 O LYS A 351 -0.128 4.398 -0.919 1.00 0.00 O ATOM 667 CB LYS A 351 -2.717 2.394 -1.009 1.00 0.00 C ATOM 668 CG LYS A 351 -2.926 3.492 -2.041 1.00 0.00 C ATOM 669 CD LYS A 351 -2.438 3.070 -3.416 1.00 0.00 C ATOM 670 CE LYS A 351 -3.477 3.361 -4.486 1.00 0.00 C ATOM 671 NZ LYS A 351 -3.006 2.967 -5.843 1.00 0.00 N ATOM 0 H LYS A 351 -2.251 4.238 0.756 1.00 0.00 H new ATOM 0 HA LYS A 351 -1.150 1.557 0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 351 -2.685 1.432 -1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 351 -3.577 2.371 -0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -3.985 3.746 -2.093 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -2.397 4.392 -1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -1.513 3.595 -3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -2.207 2.005 -3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -4.398 2.826 -4.252 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -3.716 4.424 -4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -3.744 3.182 -6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -2.142 3.496 -6.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -2.802 1.947 -5.857 1.00 0.00 H new ATOM 685 N VAL A 352 0.423 2.386 -1.730 1.00 0.00 N ATOM 686 CA VAL A 352 1.538 2.945 -2.472 1.00 0.00 C ATOM 687 C VAL A 352 1.870 2.211 -3.767 1.00 0.00 C ATOM 688 O VAL A 352 1.557 1.032 -3.946 1.00 0.00 O ATOM 689 CB VAL A 352 2.794 2.934 -1.584 1.00 0.00 C ATOM 690 CG1 VAL A 352 3.294 1.513 -1.388 1.00 0.00 C ATOM 691 CG2 VAL A 352 3.877 3.809 -2.168 1.00 0.00 C ATOM 0 H VAL A 352 0.291 1.379 -1.828 1.00 0.00 H new ATOM 0 HA VAL A 352 1.231 3.954 -2.748 1.00 0.00 H new ATOM 0 HB VAL A 352 2.526 3.341 -0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 352 4.183 1.524 -0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 352 2.517 0.917 -0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 352 3.541 1.077 -2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 352 4.754 3.784 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 352 4.146 3.442 -3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 352 3.514 4.834 -2.247 1.00 0.00 H new ATOM 701 N ARG A 353 2.563 2.941 -4.635 1.00 0.00 N ATOM 702 CA ARG A 353 3.041 2.443 -5.910 1.00 0.00 C ATOM 703 C ARG A 353 4.536 2.743 -5.998 1.00 0.00 C ATOM 704 O ARG A 353 4.941 3.909 -6.035 1.00 0.00 O ATOM 705 CB ARG A 353 2.289 3.115 -7.063 1.00 0.00 C ATOM 706 CG ARG A 353 2.870 2.822 -8.436 1.00 0.00 C ATOM 707 CD ARG A 353 1.827 3.018 -9.526 1.00 0.00 C ATOM 708 NE ARG A 353 2.062 2.150 -10.677 1.00 0.00 N ATOM 709 CZ ARG A 353 1.090 1.545 -11.356 1.00 0.00 C ATOM 710 NH1 ARG A 353 -0.177 1.715 -11.001 1.00 0.00 N ATOM 711 NH2 ARG A 353 1.385 0.770 -12.390 1.00 0.00 N ATOM 0 H ARG A 353 2.811 3.915 -4.463 1.00 0.00 H new ATOM 0 HA ARG A 353 2.867 1.370 -5.986 1.00 0.00 H new ATOM 0 HB2 ARG A 353 1.249 2.789 -7.043 1.00 0.00 H new ATOM 0 HB3 ARG A 353 2.288 4.193 -6.903 1.00 0.00 H new ATOM 0 HG2 ARG A 353 3.721 3.477 -8.621 1.00 0.00 H new ATOM 0 HG3 ARG A 353 3.243 1.798 -8.465 1.00 0.00 H new ATOM 0 HD2 ARG A 353 0.836 2.818 -9.118 1.00 0.00 H new ATOM 0 HD3 ARG A 353 1.834 4.059 -9.850 1.00 0.00 H new ATOM 0 HE ARG A 353 3.025 1.999 -10.977 1.00 0.00 H new ATOM 0 HH11 ARG A 353 -0.408 2.311 -10.206 1.00 0.00 H new ATOM 0 HH12 ARG A 353 -0.920 1.250 -11.523 1.00 0.00 H new ATOM 0 HH21 ARG A 353 2.358 0.637 -12.666 1.00 0.00 H new ATOM 0 HH22 ARG A 353 0.639 0.307 -12.909 1.00 0.00 H new ATOM 725 N THR A 354 5.357 1.698 -5.989 1.00 0.00 N ATOM 726 CA THR A 354 6.808 1.869 -6.030 1.00 0.00 C ATOM 727 C THR A 354 7.362 1.555 -7.405 1.00 0.00 C ATOM 728 O THR A 354 7.096 0.486 -7.960 1.00 0.00 O ATOM 729 CB THR A 354 7.506 0.970 -4.996 1.00 0.00 C ATOM 730 OG1 THR A 354 8.129 -0.145 -5.647 1.00 0.00 O ATOM 731 CG2 THR A 354 6.510 0.469 -3.966 1.00 0.00 C ATOM 0 H THR A 354 5.046 0.727 -5.954 1.00 0.00 H new ATOM 0 HA THR A 354 7.007 2.914 -5.792 1.00 0.00 H new ATOM 0 HB THR A 354 8.269 1.561 -4.490 1.00 0.00 H new ATOM 0 HG1 THR A 354 7.688 -0.310 -6.507 1.00 0.00 H new ATOM 0 HG21 THR A 354 7.022 -0.165 -3.243 1.00 0.00 H new ATOM 0 HG22 THR A 354 6.062 1.318 -3.450 1.00 0.00 H new ATOM 0 HG23 THR A 354 5.730 -0.106 -4.464 1.00 0.00 H new ATOM 739 N LYS A 355 8.132 2.496 -7.951 1.00 0.00 N ATOM 740 CA LYS A 355 8.723 2.329 -9.270 1.00 0.00 C ATOM 741 C LYS A 355 7.657 1.886 -10.262 1.00 0.00 C ATOM 742 O LYS A 355 7.959 1.305 -11.304 1.00 0.00 O ATOM 743 CB LYS A 355 9.857 1.314 -9.204 1.00 0.00 C ATOM 744 CG LYS A 355 10.764 1.534 -8.008 1.00 0.00 C ATOM 745 CD LYS A 355 11.224 0.218 -7.401 1.00 0.00 C ATOM 746 CE LYS A 355 12.578 0.358 -6.727 1.00 0.00 C ATOM 747 NZ LYS A 355 13.698 0.061 -7.663 1.00 0.00 N ATOM 0 H LYS A 355 8.359 3.381 -7.497 1.00 0.00 H new ATOM 0 HA LYS A 355 9.132 3.281 -9.607 1.00 0.00 H new ATOM 0 HB2 LYS A 355 9.438 0.309 -9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 355 10.447 1.373 -10.119 1.00 0.00 H new ATOM 0 HG2 LYS A 355 11.633 2.118 -8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 355 10.236 2.118 -7.254 1.00 0.00 H new ATOM 0 HD2 LYS A 355 10.488 -0.125 -6.674 1.00 0.00 H new ATOM 0 HD3 LYS A 355 11.281 -0.543 -8.180 1.00 0.00 H new ATOM 0 HE2 LYS A 355 12.688 1.371 -6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 355 12.630 -0.317 -5.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 14.605 0.168 -7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 13.608 -0.914 -8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 13.664 0.722 -8.465 1.00 0.00 H new ATOM 761 N ASN A 356 6.402 2.154 -9.905 1.00 0.00 N ATOM 762 CA ASN A 356 5.266 1.776 -10.733 1.00 0.00 C ATOM 763 C ASN A 356 5.302 0.279 -11.011 1.00 0.00 C ATOM 764 O ASN A 356 5.102 -0.167 -12.142 1.00 0.00 O ATOM 765 CB ASN A 356 5.250 2.570 -12.040 1.00 0.00 C ATOM 766 CG ASN A 356 5.908 3.930 -11.900 1.00 0.00 C ATOM 767 OD1 ASN A 356 7.176 4.019 -12.282 1.00 0.00 O flip ATOM 768 ND2 ASN A 356 5.281 4.891 -11.453 1.00 0.00 N flip ATOM 0 H ASN A 356 6.149 2.635 -9.042 1.00 0.00 H new ATOM 0 HA ASN A 356 4.349 2.012 -10.192 1.00 0.00 H new ATOM 0 HB2 ASN A 356 5.763 2.000 -12.814 1.00 0.00 H new ATOM 0 HB3 ASN A 356 4.219 2.701 -12.370 1.00 0.00 H new ATOM 0 HD21 ASN A 356 4.307 4.778 -11.171 1.00 0.00 H new ATOM 0 HD22 ASN A 356 5.735 5.800 -11.365 1.00 0.00 H new ATOM 775 N GLY A 357 5.567 -0.485 -9.957 1.00 0.00 N ATOM 776 CA GLY A 357 5.639 -1.926 -10.069 1.00 0.00 C ATOM 777 C GLY A 357 5.075 -2.626 -8.848 1.00 0.00 C ATOM 778 O GLY A 357 4.348 -3.611 -8.976 1.00 0.00 O ATOM 0 H GLY A 357 5.735 -0.125 -9.018 1.00 0.00 H new ATOM 0 HA2 GLY A 357 5.091 -2.247 -10.955 1.00 0.00 H new ATOM 0 HA3 GLY A 357 6.677 -2.226 -10.210 1.00 0.00 H new ATOM 782 N ASN A 358 5.402 -2.118 -7.658 1.00 0.00 N ATOM 783 CA ASN A 358 4.906 -2.714 -6.422 1.00 0.00 C ATOM 784 C ASN A 358 3.763 -1.887 -5.844 1.00 0.00 C ATOM 785 O ASN A 358 3.987 -0.864 -5.197 1.00 0.00 O ATOM 786 CB ASN A 358 6.031 -2.843 -5.398 1.00 0.00 C ATOM 787 CG ASN A 358 7.252 -3.541 -5.964 1.00 0.00 C ATOM 788 OD1 ASN A 358 7.155 -4.855 -6.133 1.00 0.00 O flip ATOM 789 ND2 ASN A 358 8.269 -2.908 -6.246 1.00 0.00 N flip ATOM 0 H ASN A 358 6.002 -1.304 -7.527 1.00 0.00 H new ATOM 0 HA ASN A 358 4.530 -3.710 -6.655 1.00 0.00 H new ATOM 0 HB2 ASN A 358 6.314 -1.851 -5.046 1.00 0.00 H new ATOM 0 HB3 ASN A 358 5.668 -3.397 -4.532 1.00 0.00 H new ATOM 0 HD21 ASN A 358 8.299 -1.899 -6.099 1.00 0.00 H new ATOM 0 HD22 ASN A 358 9.082 -3.392 -6.626 1.00 0.00 H new ATOM 796 N ILE A 359 2.536 -2.336 -6.087 1.00 0.00 N ATOM 797 CA ILE A 359 1.355 -1.636 -5.595 1.00 0.00 C ATOM 798 C ILE A 359 0.686 -2.407 -4.461 1.00 0.00 C ATOM 799 O ILE A 359 0.548 -3.630 -4.519 1.00 0.00 O ATOM 800 CB ILE A 359 0.331 -1.400 -6.723 1.00 0.00 C ATOM 801 CG1 ILE A 359 0.943 -0.527 -7.821 1.00 0.00 C ATOM 802 CG2 ILE A 359 -0.933 -0.752 -6.173 1.00 0.00 C ATOM 803 CD1 ILE A 359 0.569 -0.964 -9.220 1.00 0.00 C ATOM 0 H ILE A 359 2.334 -3.181 -6.621 1.00 0.00 H new ATOM 0 HA ILE A 359 1.694 -0.671 -5.217 1.00 0.00 H new ATOM 0 HB ILE A 359 0.063 -2.365 -7.153 1.00 0.00 H new ATOM 0 HG12 ILE A 359 0.623 0.505 -7.674 1.00 0.00 H new ATOM 0 HG13 ILE A 359 2.028 -0.542 -7.723 1.00 0.00 H new ATOM 0 HG21 ILE A 359 -1.643 -0.594 -6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 359 -1.379 -1.404 -5.422 1.00 0.00 H new ATOM 0 HG23 ILE A 359 -0.682 0.206 -5.718 1.00 0.00 H new ATOM 0 HD11 ILE A 359 1.038 -0.300 -9.946 1.00 0.00 H new ATOM 0 HD12 ILE A 359 0.913 -1.985 -9.386 1.00 0.00 H new ATOM 0 HD13 ILE A 359 -0.514 -0.922 -9.337 1.00 0.00 H new ATOM 815 N GLY A 360 0.274 -1.676 -3.432 1.00 0.00 N ATOM 816 CA GLY A 360 -0.379 -2.287 -2.288 1.00 0.00 C ATOM 817 C GLY A 360 -0.565 -1.297 -1.159 1.00 0.00 C ATOM 818 O GLY A 360 -0.986 -0.164 -1.390 1.00 0.00 O ATOM 0 H GLY A 360 0.381 -0.664 -3.369 1.00 0.00 H new ATOM 0 HA2 GLY A 360 -1.349 -2.682 -2.590 1.00 0.00 H new ATOM 0 HA3 GLY A 360 0.214 -3.132 -1.938 1.00 0.00 H new ATOM 822 N TYR A 361 -0.241 -1.710 0.061 1.00 0.00 N ATOM 823 CA TYR A 361 -0.365 -0.824 1.213 1.00 0.00 C ATOM 824 C TYR A 361 0.995 -0.615 1.866 1.00 0.00 C ATOM 825 O TYR A 361 1.994 -1.189 1.433 1.00 0.00 O ATOM 826 CB TYR A 361 -1.366 -1.381 2.227 1.00 0.00 C ATOM 827 CG TYR A 361 -2.776 -1.483 1.689 1.00 0.00 C ATOM 828 CD1 TYR A 361 -3.604 -0.369 1.638 1.00 0.00 C ATOM 829 CD2 TYR A 361 -3.276 -2.695 1.232 1.00 0.00 C ATOM 830 CE1 TYR A 361 -4.892 -0.460 1.145 1.00 0.00 C ATOM 831 CE2 TYR A 361 -4.562 -2.794 0.737 1.00 0.00 C ATOM 832 CZ TYR A 361 -5.366 -1.675 0.695 1.00 0.00 C ATOM 833 OH TYR A 361 -6.647 -1.769 0.202 1.00 0.00 O ATOM 0 H TYR A 361 0.107 -2.644 0.277 1.00 0.00 H new ATOM 0 HA TYR A 361 -0.739 0.139 0.865 1.00 0.00 H new ATOM 0 HB2 TYR A 361 -1.035 -2.369 2.547 1.00 0.00 H new ATOM 0 HB3 TYR A 361 -1.368 -0.744 3.111 1.00 0.00 H new ATOM 0 HD1 TYR A 361 -3.235 0.584 1.989 1.00 0.00 H new ATOM 0 HD2 TYR A 361 -2.650 -3.574 1.264 1.00 0.00 H new ATOM 0 HE1 TYR A 361 -5.524 0.415 1.112 1.00 0.00 H new ATOM 0 HE2 TYR A 361 -4.936 -3.744 0.384 1.00 0.00 H new ATOM 0 HH TYR A 361 -6.824 -2.692 -0.074 1.00 0.00 H new ATOM 843 N ILE A 362 1.033 0.216 2.900 1.00 0.00 N ATOM 844 CA ILE A 362 2.277 0.506 3.599 1.00 0.00 C ATOM 845 C ILE A 362 2.039 1.398 4.818 1.00 0.00 C ATOM 846 O ILE A 362 1.573 2.530 4.687 1.00 0.00 O ATOM 847 CB ILE A 362 3.292 1.199 2.663 1.00 0.00 C ATOM 848 CG1 ILE A 362 4.509 1.691 3.452 1.00 0.00 C ATOM 849 CG2 ILE A 362 2.631 2.357 1.927 1.00 0.00 C ATOM 850 CD1 ILE A 362 5.500 0.599 3.779 1.00 0.00 C ATOM 0 H ILE A 362 0.216 0.701 3.273 1.00 0.00 H new ATOM 0 HA ILE A 362 2.682 -0.450 3.930 1.00 0.00 H new ATOM 0 HB ILE A 362 3.633 0.470 1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 362 5.014 2.468 2.878 1.00 0.00 H new ATOM 0 HG13 ILE A 362 4.168 2.151 4.380 1.00 0.00 H new ATOM 0 HG21 ILE A 362 3.359 2.835 1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 362 1.798 1.982 1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 362 2.262 3.084 2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 362 6.335 1.021 4.338 1.00 0.00 H new ATOM 0 HD12 ILE A 362 5.011 -0.168 4.380 1.00 0.00 H new ATOM 0 HD13 ILE A 362 5.870 0.155 2.855 1.00 0.00 H new ATOM 862 N PRO A 363 2.378 0.905 6.024 1.00 0.00 N ATOM 863 CA PRO A 363 2.221 1.672 7.261 1.00 0.00 C ATOM 864 C PRO A 363 2.882 3.037 7.135 1.00 0.00 C ATOM 865 O PRO A 363 3.980 3.141 6.587 1.00 0.00 O ATOM 866 CB PRO A 363 2.940 0.822 8.322 1.00 0.00 C ATOM 867 CG PRO A 363 3.674 -0.246 7.571 1.00 0.00 C ATOM 868 CD PRO A 363 2.955 -0.420 6.268 1.00 0.00 C ATOM 0 HA PRO A 363 1.176 1.858 7.507 1.00 0.00 H new ATOM 0 HB2 PRO A 363 3.629 1.431 8.907 1.00 0.00 H new ATOM 0 HB3 PRO A 363 2.226 0.386 9.021 1.00 0.00 H new ATOM 0 HG2 PRO A 363 4.713 0.040 7.406 1.00 0.00 H new ATOM 0 HG3 PRO A 363 3.686 -1.179 8.135 1.00 0.00 H new ATOM 0 HD2 PRO A 363 3.635 -0.716 5.469 1.00 0.00 H new ATOM 0 HD3 PRO A 363 2.185 -1.189 6.333 1.00 0.00 H new ATOM 876 N TYR A 364 2.224 4.091 7.615 1.00 0.00 N ATOM 877 CA TYR A 364 2.811 5.430 7.498 1.00 0.00 C ATOM 878 C TYR A 364 4.092 5.542 8.327 1.00 0.00 C ATOM 879 O TYR A 364 4.937 6.398 8.066 1.00 0.00 O ATOM 880 CB TYR A 364 1.802 6.515 7.898 1.00 0.00 C ATOM 881 CG TYR A 364 2.418 7.750 8.532 1.00 0.00 C ATOM 882 CD1 TYR A 364 2.652 7.816 9.902 1.00 0.00 C ATOM 883 CD2 TYR A 364 2.761 8.851 7.760 1.00 0.00 C ATOM 884 CE1 TYR A 364 3.210 8.940 10.479 1.00 0.00 C ATOM 885 CE2 TYR A 364 3.320 9.979 8.332 1.00 0.00 C ATOM 886 CZ TYR A 364 3.542 10.018 9.690 1.00 0.00 C ATOM 887 OH TYR A 364 4.097 11.140 10.261 1.00 0.00 O ATOM 0 H TYR A 364 1.314 4.052 8.074 1.00 0.00 H new ATOM 0 HA TYR A 364 3.072 5.587 6.452 1.00 0.00 H new ATOM 0 HB2 TYR A 364 1.244 6.818 7.012 1.00 0.00 H new ATOM 0 HB3 TYR A 364 1.084 6.085 8.596 1.00 0.00 H new ATOM 0 HD1 TYR A 364 2.393 6.973 10.525 1.00 0.00 H new ATOM 0 HD2 TYR A 364 2.588 8.826 6.694 1.00 0.00 H new ATOM 0 HE1 TYR A 364 3.385 8.973 11.544 1.00 0.00 H new ATOM 0 HE2 TYR A 364 3.581 10.826 7.716 1.00 0.00 H new ATOM 0 HH TYR A 364 4.273 11.808 9.566 1.00 0.00 H new ATOM 897 N ASN A 365 4.230 4.675 9.325 1.00 0.00 N ATOM 898 CA ASN A 365 5.407 4.685 10.188 1.00 0.00 C ATOM 899 C ASN A 365 6.618 4.064 9.495 1.00 0.00 C ATOM 900 O ASN A 365 7.654 3.846 10.123 1.00 0.00 O ATOM 901 CB ASN A 365 5.114 3.933 11.488 1.00 0.00 C ATOM 902 CG ASN A 365 4.674 4.857 12.607 1.00 0.00 C ATOM 903 OD1 ASN A 365 5.164 5.979 12.732 1.00 0.00 O ATOM 904 ND2 ASN A 365 3.743 4.387 13.429 1.00 0.00 N ATOM 0 H ASN A 365 3.543 3.958 9.556 1.00 0.00 H new ATOM 0 HA ASN A 365 5.643 5.725 10.413 1.00 0.00 H new ATOM 0 HB2 ASN A 365 4.337 3.191 11.307 1.00 0.00 H new ATOM 0 HB3 ASN A 365 6.007 3.390 11.799 1.00 0.00 H new ATOM 0 HD21 ASN A 365 3.407 4.963 14.201 1.00 0.00 H new ATOM 0 HD22 ASN A 365 3.364 3.450 13.288 1.00 0.00 H new ATOM 911 N TYR A 366 6.485 3.776 8.203 1.00 0.00 N ATOM 912 CA TYR A 366 7.577 3.175 7.443 1.00 0.00 C ATOM 913 C TYR A 366 7.832 3.934 6.142 1.00 0.00 C ATOM 914 O TYR A 366 8.498 3.424 5.239 1.00 0.00 O ATOM 915 CB TYR A 366 7.263 1.710 7.137 1.00 0.00 C ATOM 916 CG TYR A 366 7.498 0.779 8.306 1.00 0.00 C ATOM 917 CD1 TYR A 366 6.662 0.801 9.414 1.00 0.00 C ATOM 918 CD2 TYR A 366 8.554 -0.122 8.299 1.00 0.00 C ATOM 919 CE1 TYR A 366 6.871 -0.049 10.484 1.00 0.00 C ATOM 920 CE2 TYR A 366 8.771 -0.976 9.364 1.00 0.00 C ATOM 921 CZ TYR A 366 7.927 -0.936 10.454 1.00 0.00 C ATOM 922 OH TYR A 366 8.139 -1.784 11.516 1.00 0.00 O ATOM 0 H TYR A 366 5.637 3.948 7.663 1.00 0.00 H new ATOM 0 HA TYR A 366 8.479 3.232 8.052 1.00 0.00 H new ATOM 0 HB2 TYR A 366 6.222 1.629 6.823 1.00 0.00 H new ATOM 0 HB3 TYR A 366 7.876 1.385 6.296 1.00 0.00 H new ATOM 0 HD1 TYR A 366 5.834 1.494 9.441 1.00 0.00 H new ATOM 0 HD2 TYR A 366 9.217 -0.156 7.447 1.00 0.00 H new ATOM 0 HE1 TYR A 366 6.211 -0.019 11.339 1.00 0.00 H new ATOM 0 HE2 TYR A 366 9.597 -1.671 9.343 1.00 0.00 H new ATOM 0 HH TYR A 366 8.922 -2.345 11.336 1.00 0.00 H new ATOM 932 N ILE A 367 7.304 5.150 6.050 1.00 0.00 N ATOM 933 CA ILE A 367 7.483 5.967 4.854 1.00 0.00 C ATOM 934 C ILE A 367 7.640 7.445 5.196 1.00 0.00 C ATOM 935 O ILE A 367 6.886 7.993 6.000 1.00 0.00 O ATOM 936 CB ILE A 367 6.314 5.796 3.866 1.00 0.00 C ATOM 937 CG1 ILE A 367 4.971 5.787 4.605 1.00 0.00 C ATOM 938 CG2 ILE A 367 6.491 4.519 3.061 1.00 0.00 C ATOM 939 CD1 ILE A 367 3.785 6.102 3.713 1.00 0.00 C ATOM 0 H ILE A 367 6.751 5.590 6.785 1.00 0.00 H new ATOM 0 HA ILE A 367 8.400 5.616 4.380 1.00 0.00 H new ATOM 0 HB ILE A 367 6.315 6.644 3.181 1.00 0.00 H new ATOM 0 HG12 ILE A 367 4.823 4.808 5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 367 5.008 6.513 5.417 1.00 0.00 H new ATOM 0 HG21 ILE A 367 5.659 4.409 2.366 1.00 0.00 H new ATOM 0 HG22 ILE A 367 7.426 4.567 2.503 1.00 0.00 H new ATOM 0 HG23 ILE A 367 6.516 3.664 3.736 1.00 0.00 H new ATOM 0 HD11 ILE A 367 2.869 6.078 4.303 1.00 0.00 H new ATOM 0 HD12 ILE A 367 3.910 7.094 3.278 1.00 0.00 H new ATOM 0 HD13 ILE A 367 3.722 5.361 2.916 1.00 0.00 H new ATOM 951 N GLU A 368 8.631 8.083 4.574 1.00 0.00 N ATOM 952 CA GLU A 368 8.899 9.500 4.802 1.00 0.00 C ATOM 953 C GLU A 368 8.238 10.358 3.728 1.00 0.00 C ATOM 954 O GLU A 368 8.610 10.297 2.556 1.00 0.00 O ATOM 955 CB GLU A 368 10.407 9.765 4.813 1.00 0.00 C ATOM 956 CG GLU A 368 11.226 8.623 5.389 1.00 0.00 C ATOM 957 CD GLU A 368 12.629 9.050 5.773 1.00 0.00 C ATOM 958 OE1 GLU A 368 13.477 9.185 4.866 1.00 0.00 O ATOM 959 OE2 GLU A 368 12.879 9.251 6.981 1.00 0.00 O ATOM 0 H GLU A 368 9.262 7.639 3.907 1.00 0.00 H new ATOM 0 HA GLU A 368 8.480 9.767 5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 368 10.740 9.960 3.793 1.00 0.00 H new ATOM 0 HB3 GLU A 368 10.604 10.668 5.391 1.00 0.00 H new ATOM 0 HG2 GLU A 368 10.718 8.223 6.267 1.00 0.00 H new ATOM 0 HG3 GLU A 368 11.283 7.816 4.658 1.00 0.00 H new ATOM 966 N ILE A 369 7.258 11.157 4.133 1.00 0.00 N ATOM 967 CA ILE A 369 6.548 12.027 3.202 1.00 0.00 C ATOM 968 C ILE A 369 7.436 13.181 2.747 1.00 0.00 C ATOM 969 O ILE A 369 8.145 13.786 3.552 1.00 0.00 O ATOM 970 CB ILE A 369 5.259 12.592 3.836 1.00 0.00 C ATOM 971 CG1 ILE A 369 4.247 11.470 4.072 1.00 0.00 C ATOM 972 CG2 ILE A 369 4.653 13.675 2.953 1.00 0.00 C ATOM 973 CD1 ILE A 369 4.559 10.615 5.280 1.00 0.00 C ATOM 0 H ILE A 369 6.937 11.221 5.099 1.00 0.00 H new ATOM 0 HA ILE A 369 6.279 11.421 2.337 1.00 0.00 H new ATOM 0 HB ILE A 369 5.517 13.038 4.796 1.00 0.00 H new ATOM 0 HG12 ILE A 369 3.255 11.906 4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 369 4.210 10.834 3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 369 3.746 14.059 3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 369 5.369 14.487 2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 369 4.410 13.255 1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 369 3.799 9.841 5.384 1.00 0.00 H new ATOM 0 HD12 ILE A 369 5.536 10.149 5.153 1.00 0.00 H new ATOM 0 HD13 ILE A 369 4.567 11.238 6.174 1.00 0.00 H new ATOM 985 N ILE A 370 7.390 13.481 1.451 1.00 0.00 N ATOM 986 CA ILE A 370 8.190 14.563 0.889 1.00 0.00 C ATOM 987 C ILE A 370 7.305 15.705 0.403 1.00 0.00 C ATOM 988 O ILE A 370 6.534 15.489 -0.555 1.00 0.00 O ATOM 989 CB ILE A 370 9.074 14.081 -0.280 1.00 0.00 C ATOM 990 CG1 ILE A 370 8.687 12.647 -0.674 1.00 0.00 C ATOM 991 CG2 ILE A 370 10.546 14.188 0.101 1.00 0.00 C ATOM 992 CD1 ILE A 370 9.856 11.720 -0.955 1.00 0.00 C ATOM 993 OXT ILE A 370 7.389 16.806 0.987 1.00 0.00 O ATOM 0 H ILE A 370 6.808 12.990 0.772 1.00 0.00 H new ATOM 0 HA ILE A 370 8.836 14.918 1.692 1.00 0.00 H new ATOM 0 HB ILE A 370 8.911 14.718 -1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 370 8.086 12.216 0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 370 8.054 12.688 -1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 370 11.163 13.846 -0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 370 10.788 15.226 0.329 1.00 0.00 H new ATOM 0 HG23 ILE A 370 10.741 13.569 0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 370 9.481 10.733 -1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 370 10.448 12.120 -1.778 1.00 0.00 H new ATOM 0 HD13 ILE A 370 10.480 11.641 -0.065 1.00 0.00 H new TER 1005 ILE A 370