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 150:sc= -0.782 USER MOD Set 1.2: A 358 ASN : amide:sc= -0.188 K(o=-0.97,f=-2.1) USER MOD Single : A 315 TYR OH : rot 180:sc= 0 USER MOD Single : A 321 ASN : amide:sc= -1.43 K(o=-1.4,f=-3.2) 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 151:sc= -5.96! (180deg=-9.14!) USER MOD Single : A 338 SER OG : rot -155:sc= -0.652 USER MOD Single : A 339 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 347 SER OG : rot 180:sc= 0 USER MOD Single : A 351 LYS NZ :NH3+ -152:sc= -0.475 (180deg=-1.86!) USER MOD Single : A 355 LYS NZ :NH3+ -158:sc= -0.055 (180deg=-0.333) USER MOD Single : A 356 ASN : amide:sc= 0 X(o=0,f=0) 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 :FLIP amide:sc= -0.123 F(o=-2!,f=-0.12) USER MOD Single : A 366 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 310 6.508 12.742 -3.473 1.00 0.00 N ATOM 2 CA PHE A 310 5.475 11.834 -2.986 1.00 0.00 C ATOM 3 C PHE A 310 5.850 11.254 -1.624 1.00 0.00 C ATOM 4 O PHE A 310 5.625 11.890 -0.590 1.00 0.00 O ATOM 5 CB PHE A 310 5.215 10.709 -3.993 1.00 0.00 C ATOM 6 CG PHE A 310 4.385 11.108 -5.131 1.00 0.00 C ATOM 7 CD1 PHE A 310 4.947 11.705 -6.227 1.00 0.00 C ATOM 8 CD2 PHE A 310 3.042 10.852 -5.111 1.00 0.00 C ATOM 9 CE1 PHE A 310 4.177 12.047 -7.299 1.00 0.00 C ATOM 10 CE2 PHE A 310 2.257 11.190 -6.170 1.00 0.00 C ATOM 11 CZ PHE A 310 2.818 11.792 -7.280 1.00 0.00 C ATOM 0 HA PHE A 310 4.557 12.410 -2.870 1.00 0.00 H new ATOM 0 HB2 PHE A 310 6.171 10.341 -4.365 1.00 0.00 H new ATOM 0 HB3 PHE A 310 4.732 9.879 -3.478 1.00 0.00 H new ATOM 0 HD1 PHE A 310 6.008 11.907 -6.243 1.00 0.00 H new ATOM 0 HD2 PHE A 310 2.600 10.377 -4.247 1.00 0.00 H new ATOM 0 HE1 PHE A 310 4.628 12.516 -8.161 1.00 0.00 H new ATOM 0 HE2 PHE A 310 1.196 10.988 -6.143 1.00 0.00 H new ATOM 0 HZ PHE A 310 2.201 12.061 -8.125 1.00 0.00 H new ATOM 21 N ALA A 311 6.416 10.050 -1.617 1.00 0.00 N ATOM 22 CA ALA A 311 6.806 9.409 -0.369 1.00 0.00 C ATOM 23 C ALA A 311 8.147 8.696 -0.491 1.00 0.00 C ATOM 24 O ALA A 311 8.635 8.431 -1.591 1.00 0.00 O ATOM 25 CB ALA A 311 5.733 8.426 0.076 1.00 0.00 C ATOM 0 H ALA A 311 6.613 9.504 -2.456 1.00 0.00 H new ATOM 0 HA ALA A 311 6.914 10.193 0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 311 6.037 7.954 1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 311 4.793 8.957 0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 311 5.599 7.662 -0.690 1.00 0.00 H new ATOM 31 N ARG A 312 8.729 8.378 0.655 1.00 0.00 N ATOM 32 CA ARG A 312 10.004 7.682 0.700 1.00 0.00 C ATOM 33 C ARG A 312 9.913 6.497 1.643 1.00 0.00 C ATOM 34 O ARG A 312 8.970 6.389 2.425 1.00 0.00 O ATOM 35 CB ARG A 312 11.118 8.620 1.155 1.00 0.00 C ATOM 36 CG ARG A 312 12.451 8.322 0.517 1.00 0.00 C ATOM 37 CD ARG A 312 13.580 8.578 1.495 1.00 0.00 C ATOM 38 NE ARG A 312 13.692 9.990 1.851 1.00 0.00 N ATOM 39 CZ ARG A 312 14.742 10.748 1.549 1.00 0.00 C ATOM 40 NH1 ARG A 312 15.768 10.235 0.882 1.00 0.00 N ATOM 41 NH2 ARG A 312 14.767 12.024 1.913 1.00 0.00 N ATOM 0 H ARG A 312 8.335 8.593 1.571 1.00 0.00 H new ATOM 0 HA ARG A 312 10.238 7.329 -0.304 1.00 0.00 H new ATOM 0 HB2 ARG A 312 10.835 9.647 0.924 1.00 0.00 H new ATOM 0 HB3 ARG A 312 11.219 8.553 2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 312 12.478 7.284 0.186 1.00 0.00 H new ATOM 0 HG3 ARG A 312 12.583 8.943 -0.369 1.00 0.00 H new ATOM 0 HD2 ARG A 312 13.417 7.989 2.398 1.00 0.00 H new ATOM 0 HD3 ARG A 312 14.520 8.239 1.059 1.00 0.00 H new ATOM 0 HE ARG A 312 12.920 10.420 2.361 1.00 0.00 H new ATOM 0 HH11 ARG A 312 15.753 9.255 0.599 1.00 0.00 H new ATOM 0 HH12 ARG A 312 16.571 10.820 0.653 1.00 0.00 H new ATOM 0 HH21 ARG A 312 13.980 12.424 2.425 1.00 0.00 H new ATOM 0 HH22 ARG A 312 15.573 12.605 1.681 1.00 0.00 H new ATOM 55 N ALA A 313 10.886 5.608 1.563 1.00 0.00 N ATOM 56 CA ALA A 313 10.892 4.425 2.421 1.00 0.00 C ATOM 57 C ALA A 313 11.833 4.603 3.608 1.00 0.00 C ATOM 58 O ALA A 313 13.053 4.662 3.450 1.00 0.00 O ATOM 59 CB ALA A 313 11.285 3.189 1.629 1.00 0.00 C ATOM 0 H ALA A 313 11.677 5.676 0.922 1.00 0.00 H new ATOM 0 HA ALA A 313 9.880 4.294 2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 313 11.283 2.320 2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 313 10.572 3.033 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 313 12.283 3.326 1.212 1.00 0.00 H new ATOM 65 N LEU A 314 11.244 4.677 4.802 1.00 0.00 N ATOM 66 CA LEU A 314 12.006 4.836 6.035 1.00 0.00 C ATOM 67 C LEU A 314 12.900 3.625 6.252 1.00 0.00 C ATOM 68 O LEU A 314 14.127 3.728 6.244 1.00 0.00 O ATOM 69 CB LEU A 314 11.061 4.988 7.232 1.00 0.00 C ATOM 70 CG LEU A 314 11.028 6.376 7.877 1.00 0.00 C ATOM 71 CD1 LEU A 314 12.432 6.854 8.214 1.00 0.00 C ATOM 72 CD2 LEU A 314 10.327 7.365 6.961 1.00 0.00 C ATOM 0 H LEU A 314 10.234 4.629 4.939 1.00 0.00 H new ATOM 0 HA LEU A 314 12.619 5.733 5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 314 10.051 4.733 6.910 1.00 0.00 H new ATOM 0 HB3 LEU A 314 11.346 4.261 7.992 1.00 0.00 H new ATOM 0 HG LEU A 314 10.467 6.308 8.809 1.00 0.00 H new ATOM 0 HD11 LEU A 314 12.380 7.842 8.671 1.00 0.00 H new ATOM 0 HD12 LEU A 314 12.897 6.156 8.911 1.00 0.00 H new ATOM 0 HD13 LEU A 314 13.027 6.907 7.302 1.00 0.00 H new ATOM 0 HD21 LEU A 314 10.310 8.348 7.432 1.00 0.00 H new ATOM 0 HD22 LEU A 314 10.862 7.425 6.013 1.00 0.00 H new ATOM 0 HD23 LEU A 314 9.305 7.032 6.780 1.00 0.00 H new ATOM 84 N TYR A 315 12.262 2.476 6.441 1.00 0.00 N ATOM 85 CA TYR A 315 12.973 1.227 6.654 1.00 0.00 C ATOM 86 C TYR A 315 12.477 0.159 5.685 1.00 0.00 C ATOM 87 O TYR A 315 11.370 0.257 5.153 1.00 0.00 O ATOM 88 CB TYR A 315 12.795 0.748 8.097 1.00 0.00 C ATOM 89 CG TYR A 315 12.820 1.863 9.119 1.00 0.00 C ATOM 90 CD1 TYR A 315 14.022 2.410 9.549 1.00 0.00 C ATOM 91 CD2 TYR A 315 11.641 2.367 9.652 1.00 0.00 C ATOM 92 CE1 TYR A 315 14.049 3.429 10.483 1.00 0.00 C ATOM 93 CE2 TYR A 315 11.658 3.386 10.586 1.00 0.00 C ATOM 94 CZ TYR A 315 12.865 3.913 10.999 1.00 0.00 C ATOM 95 OH TYR A 315 12.886 4.925 11.929 1.00 0.00 O ATOM 0 H TYR A 315 11.246 2.387 6.451 1.00 0.00 H new ATOM 0 HA TYR A 315 14.033 1.402 6.471 1.00 0.00 H new ATOM 0 HB2 TYR A 315 11.848 0.215 8.178 1.00 0.00 H new ATOM 0 HB3 TYR A 315 13.584 0.034 8.333 1.00 0.00 H new ATOM 0 HD1 TYR A 315 14.951 2.033 9.147 1.00 0.00 H new ATOM 0 HD2 TYR A 315 10.695 1.956 9.332 1.00 0.00 H new ATOM 0 HE1 TYR A 315 14.992 3.844 10.807 1.00 0.00 H new ATOM 0 HE2 TYR A 315 10.732 3.768 10.990 1.00 0.00 H new ATOM 0 HH TYR A 315 11.968 5.150 12.189 1.00 0.00 H new ATOM 105 N ASP A 316 13.302 -0.857 5.458 1.00 0.00 N ATOM 106 CA ASP A 316 12.955 -1.946 4.550 1.00 0.00 C ATOM 107 C ASP A 316 11.607 -2.563 4.920 1.00 0.00 C ATOM 108 O ASP A 316 11.492 -3.239 5.943 1.00 0.00 O ATOM 109 CB ASP A 316 14.049 -3.020 4.588 1.00 0.00 C ATOM 110 CG ASP A 316 13.586 -4.359 4.044 1.00 0.00 C ATOM 111 OD1 ASP A 316 12.943 -5.117 4.800 1.00 0.00 O ATOM 112 OD2 ASP A 316 13.873 -4.653 2.864 1.00 0.00 O ATOM 0 H ASP A 316 14.220 -0.950 5.892 1.00 0.00 H new ATOM 0 HA ASP A 316 12.877 -1.540 3.542 1.00 0.00 H new ATOM 0 HB2 ASP A 316 14.907 -2.677 4.010 1.00 0.00 H new ATOM 0 HB3 ASP A 316 14.388 -3.149 5.616 1.00 0.00 H new ATOM 117 N PHE A 317 10.589 -2.341 4.084 1.00 0.00 N ATOM 118 CA PHE A 317 9.278 -2.898 4.349 1.00 0.00 C ATOM 119 C PHE A 317 9.133 -4.262 3.675 1.00 0.00 C ATOM 120 O PHE A 317 9.887 -4.587 2.758 1.00 0.00 O ATOM 121 CB PHE A 317 8.165 -1.940 3.903 1.00 0.00 C ATOM 122 CG PHE A 317 6.779 -2.458 4.171 1.00 0.00 C ATOM 123 CD1 PHE A 317 6.307 -2.600 5.469 1.00 0.00 C ATOM 124 CD2 PHE A 317 5.949 -2.809 3.120 1.00 0.00 C ATOM 125 CE1 PHE A 317 5.035 -3.083 5.708 1.00 0.00 C ATOM 126 CE2 PHE A 317 4.678 -3.294 3.356 1.00 0.00 C ATOM 127 CZ PHE A 317 4.220 -3.431 4.650 1.00 0.00 C ATOM 0 H PHE A 317 10.654 -1.786 3.231 1.00 0.00 H new ATOM 0 HA PHE A 317 9.178 -3.035 5.426 1.00 0.00 H new ATOM 0 HB2 PHE A 317 8.292 -0.986 4.415 1.00 0.00 H new ATOM 0 HB3 PHE A 317 8.271 -1.746 2.836 1.00 0.00 H new ATOM 0 HD1 PHE A 317 6.941 -2.330 6.301 1.00 0.00 H new ATOM 0 HD2 PHE A 317 6.300 -2.702 2.104 1.00 0.00 H new ATOM 0 HE1 PHE A 317 4.679 -3.188 6.722 1.00 0.00 H new ATOM 0 HE2 PHE A 317 4.042 -3.566 2.527 1.00 0.00 H new ATOM 0 HZ PHE A 317 3.226 -3.810 4.835 1.00 0.00 H new ATOM 137 N VAL A 318 8.171 -5.064 4.136 1.00 0.00 N ATOM 138 CA VAL A 318 7.949 -6.392 3.577 1.00 0.00 C ATOM 139 C VAL A 318 6.474 -6.773 3.656 1.00 0.00 C ATOM 140 O VAL A 318 5.849 -6.631 4.707 1.00 0.00 O ATOM 141 CB VAL A 318 8.773 -7.471 4.317 1.00 0.00 C ATOM 142 CG1 VAL A 318 8.612 -8.824 3.640 1.00 0.00 C ATOM 143 CG2 VAL A 318 10.242 -7.084 4.393 1.00 0.00 C ATOM 0 H VAL A 318 7.536 -4.814 4.894 1.00 0.00 H new ATOM 0 HA VAL A 318 8.270 -6.350 2.536 1.00 0.00 H new ATOM 0 HB VAL A 318 8.392 -7.544 5.335 1.00 0.00 H new ATOM 0 HG11 VAL A 318 9.199 -9.571 4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 318 7.561 -9.113 3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 318 8.960 -8.759 2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 318 10.796 -7.861 4.919 1.00 0.00 H new ATOM 0 HG22 VAL A 318 10.641 -6.972 3.385 1.00 0.00 H new ATOM 0 HG23 VAL A 318 10.342 -6.141 4.930 1.00 0.00 H new ATOM 153 N PRO A 319 5.896 -7.259 2.540 1.00 0.00 N ATOM 154 CA PRO A 319 4.496 -7.662 2.474 1.00 0.00 C ATOM 155 C PRO A 319 4.014 -8.352 3.744 1.00 0.00 C ATOM 156 O PRO A 319 4.308 -9.527 3.971 1.00 0.00 O ATOM 157 CB PRO A 319 4.450 -8.640 1.292 1.00 0.00 C ATOM 158 CG PRO A 319 5.814 -8.625 0.671 1.00 0.00 C ATOM 159 CD PRO A 319 6.556 -7.452 1.247 1.00 0.00 C ATOM 0 HA PRO A 319 3.843 -6.797 2.358 1.00 0.00 H new ATOM 0 HB2 PRO A 319 4.189 -9.643 1.629 1.00 0.00 H new ATOM 0 HB3 PRO A 319 3.692 -8.339 0.569 1.00 0.00 H new ATOM 0 HG2 PRO A 319 6.342 -9.555 0.882 1.00 0.00 H new ATOM 0 HG3 PRO A 319 5.741 -8.539 -0.413 1.00 0.00 H new ATOM 0 HD2 PRO A 319 7.619 -7.662 1.362 1.00 0.00 H new ATOM 0 HD3 PRO A 319 6.472 -6.569 0.614 1.00 0.00 H new ATOM 167 N GLU A 320 3.264 -7.619 4.566 1.00 0.00 N ATOM 168 CA GLU A 320 2.734 -8.171 5.807 1.00 0.00 C ATOM 169 C GLU A 320 2.013 -9.481 5.526 1.00 0.00 C ATOM 170 O GLU A 320 2.170 -10.458 6.259 1.00 0.00 O ATOM 171 CB GLU A 320 1.783 -7.178 6.479 1.00 0.00 C ATOM 172 CG GLU A 320 1.408 -7.562 7.902 1.00 0.00 C ATOM 173 CD GLU A 320 1.682 -6.452 8.899 1.00 0.00 C ATOM 174 OE1 GLU A 320 2.266 -5.423 8.499 1.00 0.00 O ATOM 175 OE2 GLU A 320 1.312 -6.612 10.081 1.00 0.00 O ATOM 0 H GLU A 320 3.012 -6.646 4.394 1.00 0.00 H new ATOM 0 HA GLU A 320 3.566 -8.360 6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 320 2.248 -6.192 6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 320 0.875 -7.097 5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 320 0.350 -7.823 7.937 1.00 0.00 H new ATOM 0 HG3 GLU A 320 1.966 -8.452 8.193 1.00 0.00 H new ATOM 182 N ASN A 321 1.238 -9.502 4.444 1.00 0.00 N ATOM 183 CA ASN A 321 0.516 -10.699 4.050 1.00 0.00 C ATOM 184 C ASN A 321 0.847 -11.046 2.605 1.00 0.00 C ATOM 185 O ASN A 321 0.926 -10.158 1.756 1.00 0.00 O ATOM 186 CB ASN A 321 -0.992 -10.496 4.208 1.00 0.00 C ATOM 187 CG ASN A 321 -1.759 -11.801 4.152 1.00 0.00 C ATOM 188 OD1 ASN A 321 -2.021 -12.337 3.074 1.00 0.00 O ATOM 189 ND2 ASN A 321 -2.124 -12.324 5.317 1.00 0.00 N ATOM 0 H ASN A 321 1.097 -8.702 3.828 1.00 0.00 H new ATOM 0 HA ASN A 321 0.822 -11.521 4.698 1.00 0.00 H new ATOM 0 HB2 ASN A 321 -1.192 -10.001 5.158 1.00 0.00 H new ATOM 0 HB3 ASN A 321 -1.351 -9.833 3.421 1.00 0.00 H new ATOM 0 HD21 ASN A 321 -2.642 -13.202 5.342 1.00 0.00 H new ATOM 0 HD22 ASN A 321 -1.887 -11.847 6.187 1.00 0.00 H new ATOM 196 N PRO A 322 1.053 -12.340 2.300 1.00 0.00 N ATOM 197 CA PRO A 322 1.374 -12.781 0.941 1.00 0.00 C ATOM 198 C PRO A 322 0.150 -12.739 0.034 1.00 0.00 C ATOM 199 O PRO A 322 -0.128 -13.686 -0.700 1.00 0.00 O ATOM 200 CB PRO A 322 1.848 -14.221 1.145 1.00 0.00 C ATOM 201 CG PRO A 322 1.126 -14.680 2.365 1.00 0.00 C ATOM 202 CD PRO A 322 0.991 -13.469 3.248 1.00 0.00 C ATOM 0 HA PRO A 322 2.114 -12.144 0.457 1.00 0.00 H new ATOM 0 HB2 PRO A 322 1.608 -14.844 0.283 1.00 0.00 H new ATOM 0 HB3 PRO A 322 2.928 -14.268 1.281 1.00 0.00 H new ATOM 0 HG2 PRO A 322 0.148 -15.087 2.109 1.00 0.00 H new ATOM 0 HG3 PRO A 322 1.679 -15.472 2.871 1.00 0.00 H new ATOM 0 HD2 PRO A 322 0.051 -13.478 3.800 1.00 0.00 H new ATOM 0 HD3 PRO A 322 1.793 -13.419 3.985 1.00 0.00 H new ATOM 210 N GLU A 323 -0.583 -11.630 0.101 1.00 0.00 N ATOM 211 CA GLU A 323 -1.783 -11.454 -0.701 1.00 0.00 C ATOM 212 C GLU A 323 -1.792 -10.084 -1.372 1.00 0.00 C ATOM 213 O GLU A 323 -2.108 -9.972 -2.556 1.00 0.00 O ATOM 214 CB GLU A 323 -3.029 -11.623 0.175 1.00 0.00 C ATOM 215 CG GLU A 323 -4.313 -11.139 -0.479 1.00 0.00 C ATOM 216 CD GLU A 323 -5.495 -11.171 0.471 1.00 0.00 C ATOM 217 OE1 GLU A 323 -5.947 -12.282 0.820 1.00 0.00 O ATOM 218 OE2 GLU A 323 -5.967 -10.085 0.868 1.00 0.00 O ATOM 0 H GLU A 323 -0.363 -10.839 0.706 1.00 0.00 H new ATOM 0 HA GLU A 323 -1.790 -12.215 -1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 323 -3.139 -12.676 0.433 1.00 0.00 H new ATOM 0 HB3 GLU A 323 -2.881 -11.080 1.108 1.00 0.00 H new ATOM 0 HG2 GLU A 323 -4.171 -10.121 -0.843 1.00 0.00 H new ATOM 0 HG3 GLU A 323 -4.532 -11.761 -1.347 1.00 0.00 H new ATOM 225 N MET A 324 -1.448 -9.042 -0.614 1.00 0.00 N ATOM 226 CA MET A 324 -1.429 -7.692 -1.167 1.00 0.00 C ATOM 227 C MET A 324 -0.561 -6.741 -0.350 1.00 0.00 C ATOM 228 O MET A 324 -1.003 -6.201 0.665 1.00 0.00 O ATOM 229 CB MET A 324 -2.850 -7.147 -1.192 1.00 0.00 C ATOM 230 CG MET A 324 -3.003 -5.860 -1.987 1.00 0.00 C ATOM 231 SD MET A 324 -2.854 -6.121 -3.766 1.00 0.00 S ATOM 232 CE MET A 324 -4.513 -6.666 -4.170 1.00 0.00 C ATOM 0 H MET A 324 -1.183 -9.106 0.369 1.00 0.00 H new ATOM 0 HA MET A 324 -1.008 -7.755 -2.170 1.00 0.00 H new ATOM 0 HB2 MET A 324 -3.511 -7.904 -1.614 1.00 0.00 H new ATOM 0 HB3 MET A 324 -3.179 -6.971 -0.168 1.00 0.00 H new ATOM 0 HG2 MET A 324 -3.974 -5.416 -1.769 1.00 0.00 H new ATOM 0 HG3 MET A 324 -2.246 -5.146 -1.664 1.00 0.00 H new ATOM 0 HE1 MET A 324 -4.579 -6.868 -5.239 1.00 0.00 H new ATOM 0 HE2 MET A 324 -4.743 -7.575 -3.614 1.00 0.00 H new ATOM 0 HE3 MET A 324 -5.227 -5.887 -3.903 1.00 0.00 H new ATOM 242 N GLU A 325 0.658 -6.503 -0.822 1.00 0.00 N ATOM 243 CA GLU A 325 1.567 -5.576 -0.161 1.00 0.00 C ATOM 244 C GLU A 325 2.803 -5.322 -1.002 1.00 0.00 C ATOM 245 O GLU A 325 3.049 -6.012 -1.992 1.00 0.00 O ATOM 246 CB GLU A 325 1.948 -6.040 1.237 1.00 0.00 C ATOM 247 CG GLU A 325 1.895 -4.917 2.253 1.00 0.00 C ATOM 248 CD GLU A 325 1.375 -5.375 3.603 1.00 0.00 C ATOM 249 OE1 GLU A 325 0.920 -6.534 3.700 1.00 0.00 O ATOM 250 OE2 GLU A 325 1.416 -4.575 4.560 1.00 0.00 O ATOM 0 H GLU A 325 1.039 -6.940 -1.661 1.00 0.00 H new ATOM 0 HA GLU A 325 1.029 -4.634 -0.052 1.00 0.00 H new ATOM 0 HB2 GLU A 325 1.275 -6.839 1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 325 2.954 -6.460 1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 325 2.893 -4.496 2.376 1.00 0.00 H new ATOM 0 HG3 GLU A 325 1.257 -4.119 1.874 1.00 0.00 H new ATOM 257 N VAL A 326 3.578 -4.327 -0.601 1.00 0.00 N ATOM 258 CA VAL A 326 4.797 -3.978 -1.318 1.00 0.00 C ATOM 259 C VAL A 326 6.043 -4.387 -0.533 1.00 0.00 C ATOM 260 O VAL A 326 6.041 -4.397 0.696 1.00 0.00 O ATOM 261 CB VAL A 326 4.857 -2.465 -1.642 1.00 0.00 C ATOM 262 CG1 VAL A 326 3.885 -1.671 -0.786 1.00 0.00 C ATOM 263 CG2 VAL A 326 6.266 -1.935 -1.474 1.00 0.00 C ATOM 0 H VAL A 326 3.386 -3.747 0.216 1.00 0.00 H new ATOM 0 HA VAL A 326 4.777 -4.532 -2.257 1.00 0.00 H new ATOM 0 HB VAL A 326 4.560 -2.342 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 326 3.955 -0.614 -1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 326 2.869 -2.022 -0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 326 4.132 -1.807 0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 326 6.284 -0.870 -1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 326 6.592 -2.087 -0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 326 6.937 -2.466 -2.149 1.00 0.00 H new ATOM 273 N ALA A 327 7.111 -4.703 -1.262 1.00 0.00 N ATOM 274 CA ALA A 327 8.378 -5.087 -0.652 1.00 0.00 C ATOM 275 C ALA A 327 9.361 -3.927 -0.756 1.00 0.00 C ATOM 276 O ALA A 327 9.850 -3.613 -1.842 1.00 0.00 O ATOM 277 CB ALA A 327 8.940 -6.327 -1.329 1.00 0.00 C ATOM 0 H ALA A 327 7.122 -4.700 -2.282 1.00 0.00 H new ATOM 0 HA ALA A 327 8.214 -5.323 0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 327 9.886 -6.600 -0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 327 8.233 -7.150 -1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 327 9.104 -6.121 -2.387 1.00 0.00 H new ATOM 283 N LEU A 328 9.619 -3.266 0.368 1.00 0.00 N ATOM 284 CA LEU A 328 10.509 -2.110 0.382 1.00 0.00 C ATOM 285 C LEU A 328 11.876 -2.417 0.970 1.00 0.00 C ATOM 286 O LEU A 328 11.988 -3.076 2.000 1.00 0.00 O ATOM 287 CB LEU A 328 9.880 -0.979 1.188 1.00 0.00 C ATOM 288 CG LEU A 328 8.710 -0.268 0.511 1.00 0.00 C ATOM 289 CD1 LEU A 328 8.307 0.967 1.301 1.00 0.00 C ATOM 290 CD2 LEU A 328 9.052 0.101 -0.924 1.00 0.00 C ATOM 0 H LEU A 328 9.226 -3.509 1.277 1.00 0.00 H new ATOM 0 HA LEU A 328 10.650 -1.820 -0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 328 9.537 -1.381 2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 328 10.651 -0.242 1.412 1.00 0.00 H new ATOM 0 HG LEU A 328 7.864 -0.955 0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 328 7.472 1.461 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 328 8.008 0.674 2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 328 9.152 1.653 1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 328 8.202 0.606 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 328 9.916 0.765 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 328 9.284 -0.803 -1.487 1.00 0.00 H new ATOM 302 N LYS A 329 12.906 -1.878 0.325 1.00 0.00 N ATOM 303 CA LYS A 329 14.279 -2.029 0.784 1.00 0.00 C ATOM 304 C LYS A 329 14.763 -0.689 1.326 1.00 0.00 C ATOM 305 O LYS A 329 14.795 0.296 0.592 1.00 0.00 O ATOM 306 CB LYS A 329 15.186 -2.498 -0.356 1.00 0.00 C ATOM 307 CG LYS A 329 14.880 -1.835 -1.691 1.00 0.00 C ATOM 308 CD LYS A 329 16.111 -1.778 -2.582 1.00 0.00 C ATOM 309 CE LYS A 329 15.821 -2.331 -3.968 1.00 0.00 C ATOM 310 NZ LYS A 329 16.886 -1.973 -4.945 1.00 0.00 N ATOM 0 H LYS A 329 12.811 -1.326 -0.528 1.00 0.00 H new ATOM 0 HA LYS A 329 14.316 -2.783 1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 329 16.224 -2.297 -0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 329 15.089 -3.578 -0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 329 14.088 -2.386 -2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 329 14.507 -0.825 -1.520 1.00 0.00 H new ATOM 0 HD2 LYS A 329 16.454 -0.747 -2.665 1.00 0.00 H new ATOM 0 HD3 LYS A 329 16.920 -2.347 -2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 329 15.729 -3.416 -3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 329 14.863 -1.947 -4.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 16.650 -2.369 -5.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 16.957 -0.938 -5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 17.796 -2.361 -4.624 1.00 0.00 H new ATOM 324 N LYS A 330 15.098 -0.656 2.616 1.00 0.00 N ATOM 325 CA LYS A 330 15.544 0.570 3.288 1.00 0.00 C ATOM 326 C LYS A 330 16.132 1.593 2.327 1.00 0.00 C ATOM 327 O LYS A 330 16.998 1.279 1.510 1.00 0.00 O ATOM 328 CB LYS A 330 16.552 0.255 4.380 1.00 0.00 C ATOM 329 CG LYS A 330 16.237 0.947 5.687 1.00 0.00 C ATOM 330 CD LYS A 330 17.497 1.448 6.376 1.00 0.00 C ATOM 331 CE LYS A 330 17.191 2.026 7.750 1.00 0.00 C ATOM 332 NZ LYS A 330 17.432 3.495 7.803 1.00 0.00 N ATOM 0 H LYS A 330 15.069 -1.474 3.225 1.00 0.00 H new ATOM 0 HA LYS A 330 14.652 1.013 3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 330 16.580 -0.822 4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 330 17.546 0.553 4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 330 15.565 1.785 5.502 1.00 0.00 H new ATOM 0 HG3 LYS A 330 15.711 0.257 6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 330 18.209 0.628 6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 330 17.972 2.209 5.758 1.00 0.00 H new ATOM 0 HE2 LYS A 330 16.152 1.819 8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 330 17.809 1.530 8.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 330 17.212 3.849 8.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 330 18.429 3.691 7.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 330 16.824 3.972 7.107 1.00 0.00 H new ATOM 346 N GLY A 331 15.642 2.823 2.436 1.00 0.00 N ATOM 347 CA GLY A 331 16.107 3.891 1.578 1.00 0.00 C ATOM 348 C GLY A 331 15.306 3.970 0.300 1.00 0.00 C ATOM 349 O GLY A 331 15.462 4.909 -0.483 1.00 0.00 O ATOM 0 H GLY A 331 14.926 3.098 3.109 1.00 0.00 H new ATOM 0 HA2 GLY A 331 16.039 4.840 2.109 1.00 0.00 H new ATOM 0 HA3 GLY A 331 17.159 3.734 1.339 1.00 0.00 H new ATOM 353 N ASP A 332 14.443 2.978 0.083 1.00 0.00 N ATOM 354 CA ASP A 332 13.622 2.927 -1.087 1.00 0.00 C ATOM 355 C ASP A 332 12.756 4.180 -1.187 1.00 0.00 C ATOM 356 O ASP A 332 12.722 4.985 -0.260 1.00 0.00 O ATOM 357 CB ASP A 332 12.768 1.653 -1.062 1.00 0.00 C ATOM 358 CG ASP A 332 12.160 1.332 -2.415 1.00 0.00 C ATOM 359 OD1 ASP A 332 11.040 1.808 -2.692 1.00 0.00 O ATOM 360 OD2 ASP A 332 12.805 0.602 -3.197 1.00 0.00 O ATOM 0 H ASP A 332 14.307 2.196 0.724 1.00 0.00 H new ATOM 0 HA ASP A 332 14.256 2.897 -1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 332 13.383 0.814 -0.736 1.00 0.00 H new ATOM 0 HB3 ASP A 332 11.971 1.769 -0.328 1.00 0.00 H new ATOM 365 N LEU A 333 12.061 4.349 -2.303 1.00 0.00 N ATOM 366 CA LEU A 333 11.196 5.511 -2.493 1.00 0.00 C ATOM 367 C LEU A 333 9.885 5.072 -3.147 1.00 0.00 C ATOM 368 O LEU A 333 9.890 4.206 -4.021 1.00 0.00 O ATOM 369 CB LEU A 333 11.887 6.557 -3.370 1.00 0.00 C ATOM 370 CG LEU A 333 13.031 7.317 -2.699 1.00 0.00 C ATOM 371 CD1 LEU A 333 14.371 6.704 -3.072 1.00 0.00 C ATOM 372 CD2 LEU A 333 12.989 8.788 -3.088 1.00 0.00 C ATOM 0 H LEU A 333 12.077 3.700 -3.090 1.00 0.00 H new ATOM 0 HA LEU A 333 10.988 5.956 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 333 12.274 6.062 -4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 333 11.141 7.277 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 333 12.910 7.241 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 333 15.173 7.259 -2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 333 14.399 5.664 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 333 14.503 6.749 -4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 333 13.810 9.316 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 333 13.087 8.881 -4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 333 12.040 9.221 -2.771 1.00 0.00 H new ATOM 384 N MET A 334 8.758 5.638 -2.707 1.00 0.00 N ATOM 385 CA MET A 334 7.454 5.246 -3.251 1.00 0.00 C ATOM 386 C MET A 334 6.465 6.413 -3.300 1.00 0.00 C ATOM 387 O MET A 334 6.665 7.446 -2.667 1.00 0.00 O ATOM 388 CB MET A 334 6.865 4.114 -2.413 1.00 0.00 C ATOM 389 CG MET A 334 7.790 2.929 -2.204 1.00 0.00 C ATOM 390 SD MET A 334 9.104 3.257 -1.009 1.00 0.00 S ATOM 391 CE MET A 334 8.221 4.199 0.232 1.00 0.00 C ATOM 0 H MET A 334 8.720 6.359 -1.986 1.00 0.00 H new ATOM 0 HA MET A 334 7.619 4.913 -4.276 1.00 0.00 H new ATOM 0 HB2 MET A 334 6.581 4.512 -1.439 1.00 0.00 H new ATOM 0 HB3 MET A 334 5.951 3.763 -2.893 1.00 0.00 H new ATOM 0 HG2 MET A 334 7.205 2.074 -1.866 1.00 0.00 H new ATOM 0 HG3 MET A 334 8.237 2.652 -3.159 1.00 0.00 H new ATOM 0 HE1 MET A 334 8.684 4.041 1.206 1.00 0.00 H new ATOM 0 HE2 MET A 334 8.259 5.259 -0.020 1.00 0.00 H new ATOM 0 HE3 MET A 334 7.182 3.871 0.266 1.00 0.00 H new ATOM 401 N ALA A 335 5.380 6.222 -4.051 1.00 0.00 N ATOM 402 CA ALA A 335 4.334 7.235 -4.180 1.00 0.00 C ATOM 403 C ALA A 335 3.112 6.823 -3.369 1.00 0.00 C ATOM 404 O ALA A 335 2.689 5.671 -3.426 1.00 0.00 O ATOM 405 CB ALA A 335 3.963 7.432 -5.643 1.00 0.00 C ATOM 0 H ALA A 335 5.203 5.369 -4.582 1.00 0.00 H new ATOM 0 HA ALA A 335 4.709 8.182 -3.793 1.00 0.00 H new ATOM 0 HB1 ALA A 335 3.183 8.189 -5.722 1.00 0.00 H new ATOM 0 HB2 ALA A 335 4.842 7.757 -6.201 1.00 0.00 H new ATOM 0 HB3 ALA A 335 3.598 6.491 -6.056 1.00 0.00 H new ATOM 411 N ILE A 336 2.546 7.756 -2.608 1.00 0.00 N ATOM 412 CA ILE A 336 1.388 7.445 -1.773 1.00 0.00 C ATOM 413 C ILE A 336 0.097 7.891 -2.433 1.00 0.00 C ATOM 414 O ILE A 336 0.007 8.991 -2.978 1.00 0.00 O ATOM 415 CB ILE A 336 1.501 8.110 -0.389 1.00 0.00 C ATOM 416 CG1 ILE A 336 2.017 9.545 -0.526 1.00 0.00 C ATOM 417 CG2 ILE A 336 2.415 7.294 0.513 1.00 0.00 C ATOM 418 CD1 ILE A 336 1.925 10.348 0.754 1.00 0.00 C ATOM 0 H ILE A 336 2.865 8.723 -2.552 1.00 0.00 H new ATOM 0 HA ILE A 336 1.371 6.362 -1.649 1.00 0.00 H new ATOM 0 HB ILE A 336 0.510 8.146 0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 336 3.056 9.519 -0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 336 1.449 10.053 -1.305 1.00 0.00 H new ATOM 0 HG21 ILE A 336 2.487 7.775 1.489 1.00 0.00 H new ATOM 0 HG22 ILE A 336 2.007 6.290 0.632 1.00 0.00 H new ATOM 0 HG23 ILE A 336 3.407 7.232 0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 336 2.308 11.354 0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 336 0.884 10.406 1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 336 2.516 9.863 1.531 1.00 0.00 H new ATOM 430 N LEU A 337 -0.890 7.000 -2.411 1.00 0.00 N ATOM 431 CA LEU A 337 -2.170 7.262 -3.042 1.00 0.00 C ATOM 432 C LEU A 337 -3.354 6.920 -2.131 1.00 0.00 C ATOM 433 O LEU A 337 -4.508 7.029 -2.547 1.00 0.00 O ATOM 434 CB LEU A 337 -2.255 6.447 -4.334 1.00 0.00 C ATOM 435 CG LEU A 337 -1.430 6.985 -5.512 1.00 0.00 C ATOM 436 CD1 LEU A 337 -1.563 8.496 -5.629 1.00 0.00 C ATOM 437 CD2 LEU A 337 0.033 6.586 -5.365 1.00 0.00 C ATOM 0 H LEU A 337 -0.823 6.088 -1.960 1.00 0.00 H new ATOM 0 HA LEU A 337 -2.232 8.330 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 337 -1.931 5.428 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 337 -3.300 6.392 -4.640 1.00 0.00 H new ATOM 0 HG LEU A 337 -1.821 6.542 -6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 337 -0.968 8.849 -6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 337 -2.609 8.758 -5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 337 -1.207 8.965 -4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 337 0.603 6.976 -6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 337 0.431 6.997 -4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 337 0.113 5.499 -5.344 1.00 0.00 H new ATOM 449 N SER A 338 -3.075 6.506 -0.895 1.00 0.00 N ATOM 450 CA SER A 338 -4.146 6.156 0.041 1.00 0.00 C ATOM 451 C SER A 338 -4.109 7.030 1.288 1.00 0.00 C ATOM 452 O SER A 338 -3.147 7.760 1.524 1.00 0.00 O ATOM 453 CB SER A 338 -4.057 4.686 0.447 1.00 0.00 C ATOM 454 OG SER A 338 -5.344 4.146 0.697 1.00 0.00 O ATOM 0 H SER A 338 -2.131 6.405 -0.521 1.00 0.00 H new ATOM 0 HA SER A 338 -5.090 6.329 -0.476 1.00 0.00 H new ATOM 0 HB2 SER A 338 -3.568 4.116 -0.343 1.00 0.00 H new ATOM 0 HB3 SER A 338 -3.439 4.589 1.340 1.00 0.00 H new ATOM 0 HG SER A 338 -5.266 3.386 1.311 1.00 0.00 H new ATOM 460 N LYS A 339 -5.176 6.948 2.078 1.00 0.00 N ATOM 461 CA LYS A 339 -5.300 7.718 3.300 1.00 0.00 C ATOM 462 C LYS A 339 -5.742 6.774 4.405 1.00 0.00 C ATOM 463 O LYS A 339 -5.081 5.766 4.652 1.00 0.00 O ATOM 464 CB LYS A 339 -6.340 8.793 3.060 1.00 0.00 C ATOM 465 CG LYS A 339 -5.844 9.938 2.193 1.00 0.00 C ATOM 466 CD LYS A 339 -5.970 9.608 0.712 1.00 0.00 C ATOM 467 CE LYS A 339 -5.744 10.835 -0.154 1.00 0.00 C ATOM 468 NZ LYS A 339 -4.310 11.233 -0.193 1.00 0.00 N ATOM 0 H LYS A 339 -5.975 6.345 1.884 1.00 0.00 H new ATOM 0 HA LYS A 339 -4.359 8.185 3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 339 -7.213 8.343 2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 339 -6.667 9.191 4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 339 -6.415 10.839 2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 339 -4.802 10.153 2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 339 -5.247 8.837 0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 339 -6.960 9.198 0.513 1.00 0.00 H new ATOM 0 HE2 LYS A 339 -6.092 10.633 -1.167 1.00 0.00 H new ATOM 0 HE3 LYS A 339 -6.340 11.664 0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 -4.199 12.074 -0.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 -3.984 11.451 0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 -3.744 10.452 -0.582 1.00 0.00 H new ATOM 482 N LYS A 340 -6.903 7.036 5.008 1.00 0.00 N ATOM 483 CA LYS A 340 -7.429 6.110 5.995 1.00 0.00 C ATOM 484 C LYS A 340 -7.584 4.787 5.261 1.00 0.00 C ATOM 485 O LYS A 340 -7.615 3.711 5.859 1.00 0.00 O ATOM 486 CB LYS A 340 -8.782 6.582 6.532 1.00 0.00 C ATOM 487 CG LYS A 340 -8.960 6.396 8.033 1.00 0.00 C ATOM 488 CD LYS A 340 -8.702 4.959 8.464 1.00 0.00 C ATOM 489 CE LYS A 340 -9.993 4.158 8.528 1.00 0.00 C ATOM 490 NZ LYS A 340 -10.194 3.531 9.864 1.00 0.00 N ATOM 0 H LYS A 340 -7.479 7.860 4.833 1.00 0.00 H new ATOM 0 HA LYS A 340 -6.767 6.029 6.857 1.00 0.00 H new ATOM 0 HB2 LYS A 340 -8.907 7.638 6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 340 -9.574 6.041 6.014 1.00 0.00 H new ATOM 0 HG2 LYS A 340 -8.279 7.062 8.564 1.00 0.00 H new ATOM 0 HG3 LYS A 340 -9.973 6.683 8.316 1.00 0.00 H new ATOM 0 HD2 LYS A 340 -8.013 4.486 7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 340 -8.219 4.952 9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 340 -10.836 4.811 8.303 1.00 0.00 H new ATOM 0 HE3 LYS A 340 -9.977 3.383 7.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 340 -11.085 2.994 9.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 340 -9.402 2.888 10.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 340 -10.235 4.272 10.593 1.00 0.00 H new ATOM 504 N ASP A 341 -7.644 4.947 3.926 1.00 0.00 N ATOM 505 CA ASP A 341 -7.756 3.878 2.933 1.00 0.00 C ATOM 506 C ASP A 341 -9.150 3.848 2.287 1.00 0.00 C ATOM 507 O ASP A 341 -9.264 4.014 1.073 1.00 0.00 O ATOM 508 CB ASP A 341 -7.386 2.498 3.496 1.00 0.00 C ATOM 509 CG ASP A 341 -5.890 2.328 3.672 1.00 0.00 C ATOM 510 OD1 ASP A 341 -5.228 1.868 2.718 1.00 0.00 O ATOM 511 OD2 ASP A 341 -5.380 2.653 4.765 1.00 0.00 O ATOM 0 H ASP A 341 -7.614 5.872 3.496 1.00 0.00 H new ATOM 0 HA ASP A 341 -7.025 4.111 2.159 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -7.881 2.356 4.457 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -7.761 1.723 2.827 1.00 0.00 H new ATOM 516 N PRO A 342 -10.237 3.636 3.068 1.00 0.00 N ATOM 517 CA PRO A 342 -11.593 3.591 2.531 1.00 0.00 C ATOM 518 C PRO A 342 -12.226 4.979 2.437 1.00 0.00 C ATOM 519 O PRO A 342 -12.521 5.464 1.346 1.00 0.00 O ATOM 520 CB PRO A 342 -12.356 2.724 3.547 1.00 0.00 C ATOM 521 CG PRO A 342 -11.409 2.472 4.684 1.00 0.00 C ATOM 522 CD PRO A 342 -10.254 3.421 4.513 1.00 0.00 C ATOM 0 HA PRO A 342 -11.613 3.197 1.515 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -13.254 3.234 3.895 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -12.677 1.786 3.094 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -11.904 2.635 5.641 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -11.063 1.438 4.676 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -10.408 4.351 5.060 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -9.318 2.991 4.871 1.00 0.00 H new ATOM 530 N LEU A 343 -12.433 5.607 3.592 1.00 0.00 N ATOM 531 CA LEU A 343 -13.033 6.938 3.644 1.00 0.00 C ATOM 532 C LEU A 343 -11.960 8.021 3.684 1.00 0.00 C ATOM 533 O LEU A 343 -11.711 8.701 2.688 1.00 0.00 O ATOM 534 CB LEU A 343 -13.936 7.065 4.873 1.00 0.00 C ATOM 535 CG LEU A 343 -15.231 6.253 4.820 1.00 0.00 C ATOM 536 CD1 LEU A 343 -15.629 5.795 6.216 1.00 0.00 C ATOM 537 CD2 LEU A 343 -16.344 7.072 4.188 1.00 0.00 C ATOM 0 H LEU A 343 -12.194 5.216 4.504 1.00 0.00 H new ATOM 0 HA LEU A 343 -13.629 7.072 2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -13.370 6.758 5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -14.191 8.116 5.009 1.00 0.00 H new ATOM 0 HG LEU A 343 -15.062 5.370 4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -16.552 5.219 6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -14.838 5.173 6.634 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -15.782 6.665 6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -17.259 6.480 4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -16.514 7.972 4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -16.059 7.352 3.174 1.00 0.00 H new ATOM 549 N GLY A 344 -11.336 8.178 4.846 1.00 0.00 N ATOM 550 CA GLY A 344 -10.302 9.183 5.011 1.00 0.00 C ATOM 551 C GLY A 344 -10.261 9.729 6.425 1.00 0.00 C ATOM 552 O GLY A 344 -9.960 10.904 6.638 1.00 0.00 O ATOM 0 H GLY A 344 -11.529 7.624 5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 344 -9.333 8.751 4.761 1.00 0.00 H new ATOM 0 HA3 GLY A 344 -10.476 10.001 4.312 1.00 0.00 H new ATOM 556 N ARG A 345 -10.573 8.872 7.392 1.00 0.00 N ATOM 557 CA ARG A 345 -10.584 9.263 8.798 1.00 0.00 C ATOM 558 C ARG A 345 -9.163 9.386 9.359 1.00 0.00 C ATOM 559 O ARG A 345 -8.358 10.166 8.850 1.00 0.00 O ATOM 560 CB ARG A 345 -11.398 8.259 9.617 1.00 0.00 C ATOM 561 CG ARG A 345 -12.242 8.906 10.703 1.00 0.00 C ATOM 562 CD ARG A 345 -12.695 7.890 11.735 1.00 0.00 C ATOM 563 NE ARG A 345 -12.791 8.472 13.070 1.00 0.00 N ATOM 564 CZ ARG A 345 -13.515 7.947 14.056 1.00 0.00 C ATOM 565 NH1 ARG A 345 -14.197 6.826 13.859 1.00 0.00 N ATOM 566 NH2 ARG A 345 -13.557 8.543 15.239 1.00 0.00 N ATOM 0 H ARG A 345 -10.823 7.897 7.227 1.00 0.00 H new ATOM 0 HA ARG A 345 -11.052 10.245 8.870 1.00 0.00 H new ATOM 0 HB2 ARG A 345 -12.050 7.699 8.947 1.00 0.00 H new ATOM 0 HB3 ARG A 345 -10.719 7.540 10.075 1.00 0.00 H new ATOM 0 HG2 ARG A 345 -11.667 9.692 11.193 1.00 0.00 H new ATOM 0 HG3 ARG A 345 -13.113 9.382 10.253 1.00 0.00 H new ATOM 0 HD2 ARG A 345 -13.665 7.486 11.445 1.00 0.00 H new ATOM 0 HD3 ARG A 345 -11.995 7.055 11.753 1.00 0.00 H new ATOM 0 HE ARG A 345 -12.273 9.331 13.258 1.00 0.00 H new ATOM 0 HH11 ARG A 345 -14.167 6.364 12.950 1.00 0.00 H new ATOM 0 HH12 ARG A 345 -14.751 6.426 14.617 1.00 0.00 H new ATOM 0 HH21 ARG A 345 -13.034 9.405 15.395 1.00 0.00 H new ATOM 0 HH22 ARG A 345 -14.112 8.140 15.994 1.00 0.00 H new ATOM 580 N ASP A 346 -8.869 8.641 10.428 1.00 0.00 N ATOM 581 CA ASP A 346 -7.561 8.704 11.067 1.00 0.00 C ATOM 582 C ASP A 346 -6.693 7.475 10.764 1.00 0.00 C ATOM 583 O ASP A 346 -6.717 6.947 9.657 1.00 0.00 O ATOM 584 CB ASP A 346 -7.758 8.866 12.572 1.00 0.00 C ATOM 585 CG ASP A 346 -7.011 10.060 13.130 1.00 0.00 C ATOM 586 OD1 ASP A 346 -7.123 11.158 12.545 1.00 0.00 O ATOM 587 OD2 ASP A 346 -6.315 9.899 14.155 1.00 0.00 O ATOM 0 H ASP A 346 -9.521 7.990 10.865 1.00 0.00 H new ATOM 0 HA ASP A 346 -7.025 9.562 10.660 1.00 0.00 H new ATOM 0 HB2 ASP A 346 -8.821 8.974 12.786 1.00 0.00 H new ATOM 0 HB3 ASP A 346 -7.421 7.962 13.079 1.00 0.00 H new ATOM 592 N SER A 347 -5.899 7.049 11.753 1.00 0.00 N ATOM 593 CA SER A 347 -4.999 5.908 11.595 1.00 0.00 C ATOM 594 C SER A 347 -3.919 6.228 10.570 1.00 0.00 C ATOM 595 O SER A 347 -4.135 7.032 9.664 1.00 0.00 O ATOM 596 CB SER A 347 -5.767 4.655 11.172 1.00 0.00 C ATOM 597 OG SER A 347 -6.613 4.196 12.212 1.00 0.00 O ATOM 0 H SER A 347 -5.864 7.483 12.676 1.00 0.00 H new ATOM 0 HA SER A 347 -4.531 5.712 12.559 1.00 0.00 H new ATOM 0 HB2 SER A 347 -6.362 4.872 10.285 1.00 0.00 H new ATOM 0 HB3 SER A 347 -5.063 3.869 10.899 1.00 0.00 H new ATOM 0 HG SER A 347 -7.093 3.395 11.914 1.00 0.00 H new ATOM 603 N ASP A 348 -2.751 5.608 10.710 1.00 0.00 N ATOM 604 CA ASP A 348 -1.669 5.867 9.775 1.00 0.00 C ATOM 605 C ASP A 348 -1.308 4.615 8.970 1.00 0.00 C ATOM 606 O ASP A 348 -0.519 3.765 9.401 1.00 0.00 O ATOM 607 CB ASP A 348 -0.470 6.377 10.550 1.00 0.00 C ATOM 608 CG ASP A 348 -0.421 7.892 10.612 1.00 0.00 C ATOM 609 OD1 ASP A 348 -0.421 8.532 9.539 1.00 0.00 O ATOM 610 OD2 ASP A 348 -0.383 8.439 11.734 1.00 0.00 O ATOM 0 H ASP A 348 -2.535 4.937 11.447 1.00 0.00 H new ATOM 0 HA ASP A 348 -1.991 6.620 9.056 1.00 0.00 H new ATOM 0 HB2 ASP A 348 -0.499 5.976 11.563 1.00 0.00 H new ATOM 0 HB3 ASP A 348 0.444 6.006 10.086 1.00 0.00 H new ATOM 615 N TRP A 349 -1.875 4.543 7.773 1.00 0.00 N ATOM 616 CA TRP A 349 -1.650 3.430 6.861 1.00 0.00 C ATOM 617 C TRP A 349 -2.003 3.852 5.446 1.00 0.00 C ATOM 618 O TRP A 349 -3.149 4.197 5.167 1.00 0.00 O ATOM 619 CB TRP A 349 -2.522 2.239 7.267 1.00 0.00 C ATOM 620 CG TRP A 349 -1.746 1.074 7.793 1.00 0.00 C ATOM 621 CD1 TRP A 349 -1.564 0.738 9.103 1.00 0.00 C ATOM 622 CD2 TRP A 349 -1.051 0.088 7.023 1.00 0.00 C ATOM 623 NE1 TRP A 349 -0.798 -0.398 9.196 1.00 0.00 N ATOM 624 CE2 TRP A 349 -0.469 -0.816 7.934 1.00 0.00 C ATOM 625 CE3 TRP A 349 -0.861 -0.123 5.653 1.00 0.00 C ATOM 626 CZ2 TRP A 349 0.286 -1.908 7.518 1.00 0.00 C ATOM 627 CZ3 TRP A 349 -0.113 -1.202 5.247 1.00 0.00 C ATOM 628 CH2 TRP A 349 0.455 -2.085 6.173 1.00 0.00 C ATOM 0 H TRP A 349 -2.505 5.256 7.407 1.00 0.00 H new ATOM 0 HA TRP A 349 -0.600 3.140 6.906 1.00 0.00 H new ATOM 0 HB2 TRP A 349 -3.232 2.563 8.027 1.00 0.00 H new ATOM 0 HB3 TRP A 349 -3.104 1.916 6.404 1.00 0.00 H new ATOM 0 HD1 TRP A 349 -1.964 1.285 9.944 1.00 0.00 H new ATOM 0 HE1 TRP A 349 -0.519 -0.856 10.064 1.00 0.00 H new ATOM 0 HE3 TRP A 349 -1.294 0.550 4.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 349 0.723 -2.591 8.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 349 0.040 -1.372 4.192 1.00 0.00 H new ATOM 0 HH2 TRP A 349 1.038 -2.922 5.818 1.00 0.00 H new ATOM 639 N TRP A 350 -1.025 3.838 4.555 1.00 0.00 N ATOM 640 CA TRP A 350 -1.266 4.243 3.180 1.00 0.00 C ATOM 641 C TRP A 350 -0.833 3.172 2.193 1.00 0.00 C ATOM 642 O TRP A 350 -0.083 2.262 2.529 1.00 0.00 O ATOM 643 CB TRP A 350 -0.515 5.542 2.865 1.00 0.00 C ATOM 644 CG TRP A 350 -0.776 6.656 3.831 1.00 0.00 C ATOM 645 CD1 TRP A 350 -1.937 6.926 4.498 1.00 0.00 C ATOM 646 CD2 TRP A 350 0.157 7.663 4.226 1.00 0.00 C ATOM 647 NE1 TRP A 350 -1.776 8.037 5.292 1.00 0.00 N ATOM 648 CE2 TRP A 350 -0.498 8.507 5.140 1.00 0.00 C ATOM 649 CE3 TRP A 350 1.488 7.928 3.896 1.00 0.00 C ATOM 650 CZ2 TRP A 350 0.137 9.600 5.728 1.00 0.00 C ATOM 651 CZ3 TRP A 350 2.115 9.009 4.476 1.00 0.00 C ATOM 652 CH2 TRP A 350 1.441 9.836 5.383 1.00 0.00 C ATOM 0 H TRP A 350 -0.066 3.554 4.756 1.00 0.00 H new ATOM 0 HA TRP A 350 -2.340 4.399 3.076 1.00 0.00 H new ATOM 0 HB2 TRP A 350 0.555 5.334 2.849 1.00 0.00 H new ATOM 0 HB3 TRP A 350 -0.791 5.873 1.864 1.00 0.00 H new ATOM 0 HD1 TRP A 350 -2.848 6.351 4.414 1.00 0.00 H new ATOM 0 HE1 TRP A 350 -2.491 8.444 5.895 1.00 0.00 H new ATOM 0 HE3 TRP A 350 2.017 7.296 3.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 350 -0.381 10.237 6.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 350 3.144 9.222 4.227 1.00 0.00 H new ATOM 0 HH2 TRP A 350 1.960 10.677 5.819 1.00 0.00 H new ATOM 663 N LYS A 351 -1.285 3.331 0.961 1.00 0.00 N ATOM 664 CA LYS A 351 -0.936 2.435 -0.119 1.00 0.00 C ATOM 665 C LYS A 351 0.097 3.138 -0.979 1.00 0.00 C ATOM 666 O LYS A 351 -0.054 4.317 -1.301 1.00 0.00 O ATOM 667 CB LYS A 351 -2.175 2.054 -0.940 1.00 0.00 C ATOM 668 CG LYS A 351 -2.557 3.065 -2.013 1.00 0.00 C ATOM 669 CD LYS A 351 -1.934 2.722 -3.358 1.00 0.00 C ATOM 670 CE LYS A 351 -2.904 2.974 -4.500 1.00 0.00 C ATOM 671 NZ LYS A 351 -4.249 2.399 -4.222 1.00 0.00 N ATOM 0 H LYS A 351 -1.907 4.090 0.684 1.00 0.00 H new ATOM 0 HA LYS A 351 -0.526 1.506 0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 351 -1.998 1.089 -1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 351 -3.019 1.926 -0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -3.642 3.097 -2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -2.235 4.060 -1.706 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -1.033 3.318 -3.506 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -1.628 1.676 -3.363 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -2.996 4.047 -4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -2.506 2.540 -5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -4.716 2.158 -5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -4.147 1.541 -3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -4.825 3.096 -3.709 1.00 0.00 H new ATOM 685 N VAL A 352 1.170 2.445 -1.301 1.00 0.00 N ATOM 686 CA VAL A 352 2.233 3.058 -2.066 1.00 0.00 C ATOM 687 C VAL A 352 2.617 2.241 -3.292 1.00 0.00 C ATOM 688 O VAL A 352 2.375 1.036 -3.362 1.00 0.00 O ATOM 689 CB VAL A 352 3.476 3.258 -1.171 1.00 0.00 C ATOM 690 CG1 VAL A 352 4.518 2.183 -1.424 1.00 0.00 C ATOM 691 CG2 VAL A 352 4.058 4.648 -1.338 1.00 0.00 C ATOM 0 H VAL A 352 1.327 1.469 -1.048 1.00 0.00 H new ATOM 0 HA VAL A 352 1.860 4.020 -2.417 1.00 0.00 H new ATOM 0 HB VAL A 352 3.154 3.162 -0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 352 5.380 2.353 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 352 4.090 1.204 -1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 352 4.833 2.220 -2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 352 4.931 4.757 -0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 352 4.352 4.797 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 352 3.310 5.391 -1.062 1.00 0.00 H new ATOM 701 N ARG A 353 3.248 2.920 -4.238 1.00 0.00 N ATOM 702 CA ARG A 353 3.720 2.294 -5.460 1.00 0.00 C ATOM 703 C ARG A 353 5.219 2.529 -5.590 1.00 0.00 C ATOM 704 O ARG A 353 5.673 3.673 -5.605 1.00 0.00 O ATOM 705 CB ARG A 353 2.990 2.864 -6.673 1.00 0.00 C ATOM 706 CG ARG A 353 1.505 2.582 -6.671 1.00 0.00 C ATOM 707 CD ARG A 353 0.780 3.382 -7.741 1.00 0.00 C ATOM 708 NE ARG A 353 -0.656 3.114 -7.747 1.00 0.00 N ATOM 709 CZ ARG A 353 -1.504 3.659 -8.614 1.00 0.00 C ATOM 710 NH1 ARG A 353 -1.067 4.518 -9.525 1.00 0.00 N ATOM 711 NH2 ARG A 353 -2.792 3.349 -8.566 1.00 0.00 N ATOM 0 H ARG A 353 3.446 3.919 -4.179 1.00 0.00 H new ATOM 0 HA ARG A 353 3.518 1.224 -5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 353 3.147 3.942 -6.708 1.00 0.00 H new ATOM 0 HB3 ARG A 353 3.429 2.448 -7.580 1.00 0.00 H new ATOM 0 HG2 ARG A 353 1.336 1.518 -6.835 1.00 0.00 H new ATOM 0 HG3 ARG A 353 1.090 2.823 -5.692 1.00 0.00 H new ATOM 0 HD2 ARG A 353 0.949 4.446 -7.575 1.00 0.00 H new ATOM 0 HD3 ARG A 353 1.198 3.141 -8.719 1.00 0.00 H new ATOM 0 HE ARG A 353 -1.029 2.473 -7.047 1.00 0.00 H new ATOM 0 HH11 ARG A 353 -0.077 4.763 -9.562 1.00 0.00 H new ATOM 0 HH12 ARG A 353 -1.720 4.934 -10.189 1.00 0.00 H new ATOM 0 HH21 ARG A 353 -3.133 2.692 -7.864 1.00 0.00 H new ATOM 0 HH22 ARG A 353 -3.442 3.767 -9.231 1.00 0.00 H new ATOM 725 N THR A 354 5.985 1.451 -5.662 1.00 0.00 N ATOM 726 CA THR A 354 7.436 1.564 -5.765 1.00 0.00 C ATOM 727 C THR A 354 7.909 1.289 -7.182 1.00 0.00 C ATOM 728 O THR A 354 7.439 0.357 -7.830 1.00 0.00 O ATOM 729 CB THR A 354 8.148 0.599 -4.798 1.00 0.00 C ATOM 730 OG1 THR A 354 8.642 -0.540 -5.510 1.00 0.00 O ATOM 731 CG2 THR A 354 7.206 0.145 -3.697 1.00 0.00 C ATOM 0 H THR A 354 5.632 0.494 -5.651 1.00 0.00 H new ATOM 0 HA THR A 354 7.692 2.588 -5.493 1.00 0.00 H new ATOM 0 HB THR A 354 8.984 1.130 -4.344 1.00 0.00 H new ATOM 0 HG1 THR A 354 9.447 -0.879 -5.066 1.00 0.00 H new ATOM 0 HG21 THR A 354 7.731 -0.536 -3.027 1.00 0.00 H new ATOM 0 HG22 THR A 354 6.859 1.012 -3.135 1.00 0.00 H new ATOM 0 HG23 THR A 354 6.351 -0.368 -4.138 1.00 0.00 H new ATOM 739 N LYS A 355 8.849 2.108 -7.650 1.00 0.00 N ATOM 740 CA LYS A 355 9.399 1.968 -8.985 1.00 0.00 C ATOM 741 C LYS A 355 8.318 1.670 -10.014 1.00 0.00 C ATOM 742 O LYS A 355 8.549 0.963 -10.995 1.00 0.00 O ATOM 743 CB LYS A 355 10.456 0.902 -8.976 1.00 0.00 C ATOM 744 CG LYS A 355 11.537 1.271 -8.005 1.00 0.00 C ATOM 745 CD LYS A 355 12.916 1.026 -8.583 1.00 0.00 C ATOM 746 CE LYS A 355 13.949 1.962 -7.979 1.00 0.00 C ATOM 747 NZ LYS A 355 13.734 3.373 -8.404 1.00 0.00 N ATOM 0 H LYS A 355 9.245 2.880 -7.114 1.00 0.00 H new ATOM 0 HA LYS A 355 9.850 2.916 -9.278 1.00 0.00 H new ATOM 0 HB2 LYS A 355 10.017 -0.057 -8.699 1.00 0.00 H new ATOM 0 HB3 LYS A 355 10.876 0.784 -9.975 1.00 0.00 H new ATOM 0 HG2 LYS A 355 11.438 2.322 -7.732 1.00 0.00 H new ATOM 0 HG3 LYS A 355 11.418 0.691 -7.090 1.00 0.00 H new ATOM 0 HD2 LYS A 355 13.210 -0.008 -8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 355 12.888 1.163 -9.664 1.00 0.00 H new ATOM 0 HE2 LYS A 355 13.904 1.899 -6.892 1.00 0.00 H new ATOM 0 HE3 LYS A 355 14.948 1.641 -8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 14.621 3.906 -8.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 13.432 3.394 -9.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 12.998 3.806 -7.810 1.00 0.00 H new ATOM 761 N ASN A 356 7.133 2.216 -9.767 1.00 0.00 N ATOM 762 CA ASN A 356 5.991 2.019 -10.649 1.00 0.00 C ATOM 763 C ASN A 356 5.744 0.533 -10.883 1.00 0.00 C ATOM 764 O ASN A 356 5.586 0.091 -12.022 1.00 0.00 O ATOM 765 CB ASN A 356 6.222 2.729 -11.984 1.00 0.00 C ATOM 766 CG ASN A 356 5.598 4.110 -12.017 1.00 0.00 C ATOM 767 OD1 ASN A 356 5.771 4.905 -11.093 1.00 0.00 O ATOM 768 ND2 ASN A 356 4.866 4.404 -13.086 1.00 0.00 N ATOM 0 H ASN A 356 6.938 2.803 -8.956 1.00 0.00 H new ATOM 0 HA ASN A 356 5.110 2.447 -10.170 1.00 0.00 H new ATOM 0 HB2 ASN A 356 7.293 2.812 -12.168 1.00 0.00 H new ATOM 0 HB3 ASN A 356 5.806 2.125 -12.791 1.00 0.00 H new ATOM 0 HD21 ASN A 356 4.421 5.319 -13.164 1.00 0.00 H new ATOM 0 HD22 ASN A 356 4.749 3.715 -13.829 1.00 0.00 H new ATOM 775 N GLY A 357 5.715 -0.238 -9.798 1.00 0.00 N ATOM 776 CA GLY A 357 5.492 -1.662 -9.923 1.00 0.00 C ATOM 777 C GLY A 357 5.028 -2.324 -8.641 1.00 0.00 C ATOM 778 O GLY A 357 4.096 -3.128 -8.669 1.00 0.00 O ATOM 0 H GLY A 357 5.841 0.098 -8.843 1.00 0.00 H new ATOM 0 HA2 GLY A 357 4.749 -1.837 -10.701 1.00 0.00 H new ATOM 0 HA3 GLY A 357 6.416 -2.137 -10.252 1.00 0.00 H new ATOM 782 N ASN A 358 5.658 -2.001 -7.512 1.00 0.00 N ATOM 783 CA ASN A 358 5.253 -2.600 -6.249 1.00 0.00 C ATOM 784 C ASN A 358 4.107 -1.805 -5.647 1.00 0.00 C ATOM 785 O ASN A 358 4.309 -0.940 -4.793 1.00 0.00 O ATOM 786 CB ASN A 358 6.427 -2.676 -5.280 1.00 0.00 C ATOM 787 CG ASN A 358 7.618 -3.414 -5.862 1.00 0.00 C ATOM 788 OD1 ASN A 358 7.533 -4.005 -6.939 1.00 0.00 O ATOM 789 ND2 ASN A 358 8.737 -3.385 -5.148 1.00 0.00 N ATOM 0 H ASN A 358 6.434 -1.342 -7.449 1.00 0.00 H new ATOM 0 HA ASN A 358 4.914 -3.619 -6.438 1.00 0.00 H new ATOM 0 HB2 ASN A 358 6.730 -1.666 -5.003 1.00 0.00 H new ATOM 0 HB3 ASN A 358 6.107 -3.175 -4.366 1.00 0.00 H new ATOM 0 HD21 ASN A 358 9.571 -3.865 -5.487 1.00 0.00 H new ATOM 0 HD22 ASN A 358 8.763 -2.883 -4.261 1.00 0.00 H new ATOM 796 N ILE A 359 2.902 -2.092 -6.127 1.00 0.00 N ATOM 797 CA ILE A 359 1.706 -1.402 -5.671 1.00 0.00 C ATOM 798 C ILE A 359 0.977 -2.190 -4.589 1.00 0.00 C ATOM 799 O ILE A 359 0.314 -3.190 -4.869 1.00 0.00 O ATOM 800 CB ILE A 359 0.743 -1.138 -6.843 1.00 0.00 C ATOM 801 CG1 ILE A 359 1.520 -0.643 -8.065 1.00 0.00 C ATOM 802 CG2 ILE A 359 -0.313 -0.123 -6.440 1.00 0.00 C ATOM 803 CD1 ILE A 359 0.749 -0.762 -9.363 1.00 0.00 C ATOM 0 H ILE A 359 2.730 -2.804 -6.837 1.00 0.00 H new ATOM 0 HA ILE A 359 2.032 -0.452 -5.248 1.00 0.00 H new ATOM 0 HB ILE A 359 0.244 -2.072 -7.103 1.00 0.00 H new ATOM 0 HG12 ILE A 359 1.797 0.400 -7.911 1.00 0.00 H new ATOM 0 HG13 ILE A 359 2.447 -1.210 -8.150 1.00 0.00 H new ATOM 0 HG21 ILE A 359 -0.987 0.054 -7.279 1.00 0.00 H new ATOM 0 HG22 ILE A 359 -0.881 -0.506 -5.592 1.00 0.00 H new ATOM 0 HG23 ILE A 359 0.170 0.813 -6.159 1.00 0.00 H new ATOM 0 HD11 ILE A 359 1.362 -0.393 -10.185 1.00 0.00 H new ATOM 0 HD12 ILE A 359 0.495 -1.807 -9.541 1.00 0.00 H new ATOM 0 HD13 ILE A 359 -0.165 -0.172 -9.298 1.00 0.00 H new ATOM 815 N GLY A 360 1.099 -1.719 -3.354 1.00 0.00 N ATOM 816 CA GLY A 360 0.445 -2.365 -2.232 1.00 0.00 C ATOM 817 C GLY A 360 0.207 -1.388 -1.101 1.00 0.00 C ATOM 818 O GLY A 360 0.090 -0.187 -1.338 1.00 0.00 O ATOM 0 H GLY A 360 1.645 -0.893 -3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 360 -0.506 -2.789 -2.556 1.00 0.00 H new ATOM 0 HA3 GLY A 360 1.059 -3.193 -1.878 1.00 0.00 H new ATOM 822 N TYR A 361 0.151 -1.886 0.130 1.00 0.00 N ATOM 823 CA TYR A 361 -0.057 -1.010 1.276 1.00 0.00 C ATOM 824 C TYR A 361 1.254 -0.804 2.022 1.00 0.00 C ATOM 825 O TYR A 361 2.253 -1.460 1.732 1.00 0.00 O ATOM 826 CB TYR A 361 -1.116 -1.574 2.223 1.00 0.00 C ATOM 827 CG TYR A 361 -2.442 -1.863 1.555 1.00 0.00 C ATOM 828 CD1 TYR A 361 -3.401 -0.869 1.405 1.00 0.00 C ATOM 829 CD2 TYR A 361 -2.735 -3.133 1.075 1.00 0.00 C ATOM 830 CE1 TYR A 361 -4.613 -1.133 0.795 1.00 0.00 C ATOM 831 CE2 TYR A 361 -3.943 -3.405 0.464 1.00 0.00 C ATOM 832 CZ TYR A 361 -4.879 -2.403 0.327 1.00 0.00 C ATOM 833 OH TYR A 361 -6.085 -2.670 -0.280 1.00 0.00 O ATOM 0 H TYR A 361 0.245 -2.876 0.357 1.00 0.00 H new ATOM 0 HA TYR A 361 -0.415 -0.050 0.904 1.00 0.00 H new ATOM 0 HB2 TYR A 361 -0.737 -2.493 2.670 1.00 0.00 H new ATOM 0 HB3 TYR A 361 -1.276 -0.866 3.036 1.00 0.00 H new ATOM 0 HD1 TYR A 361 -3.196 0.126 1.771 1.00 0.00 H new ATOM 0 HD2 TYR A 361 -2.005 -3.922 1.182 1.00 0.00 H new ATOM 0 HE1 TYR A 361 -5.348 -0.349 0.685 1.00 0.00 H new ATOM 0 HE2 TYR A 361 -4.153 -4.398 0.095 1.00 0.00 H new ATOM 0 HH TYR A 361 -6.113 -3.611 -0.553 1.00 0.00 H new ATOM 843 N ILE A 362 1.245 0.108 2.984 1.00 0.00 N ATOM 844 CA ILE A 362 2.437 0.395 3.767 1.00 0.00 C ATOM 845 C ILE A 362 2.099 1.218 5.008 1.00 0.00 C ATOM 846 O ILE A 362 1.374 2.210 4.932 1.00 0.00 O ATOM 847 CB ILE A 362 3.497 1.145 2.929 1.00 0.00 C ATOM 848 CG1 ILE A 362 4.634 1.645 3.822 1.00 0.00 C ATOM 849 CG2 ILE A 362 2.862 2.304 2.177 1.00 0.00 C ATOM 850 CD1 ILE A 362 5.876 0.784 3.762 1.00 0.00 C ATOM 0 H ILE A 362 0.427 0.661 3.240 1.00 0.00 H new ATOM 0 HA ILE A 362 2.849 -0.565 4.078 1.00 0.00 H new ATOM 0 HB ILE A 362 3.913 0.449 2.201 1.00 0.00 H new ATOM 0 HG12 ILE A 362 4.893 2.663 3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 362 4.282 1.689 4.853 1.00 0.00 H new ATOM 0 HG21 ILE A 362 3.624 2.820 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 362 2.088 1.924 1.510 1.00 0.00 H new ATOM 0 HG23 ILE A 362 2.418 3.000 2.889 1.00 0.00 H new ATOM 0 HD11 ILE A 362 6.639 1.200 4.420 1.00 0.00 H new ATOM 0 HD12 ILE A 362 5.632 -0.229 4.083 1.00 0.00 H new ATOM 0 HD13 ILE A 362 6.253 0.760 2.740 1.00 0.00 H new ATOM 862 N PRO A 363 2.643 0.820 6.170 1.00 0.00 N ATOM 863 CA PRO A 363 2.422 1.525 7.433 1.00 0.00 C ATOM 864 C PRO A 363 3.059 2.906 7.389 1.00 0.00 C ATOM 865 O PRO A 363 4.179 3.051 6.901 1.00 0.00 O ATOM 866 CB PRO A 363 3.123 0.641 8.480 1.00 0.00 C ATOM 867 CG PRO A 363 3.420 -0.651 7.789 1.00 0.00 C ATOM 868 CD PRO A 363 3.535 -0.330 6.333 1.00 0.00 C ATOM 0 HA PRO A 363 1.365 1.678 7.651 1.00 0.00 H new ATOM 0 HB2 PRO A 363 4.038 1.112 8.839 1.00 0.00 H new ATOM 0 HB3 PRO A 363 2.484 0.482 9.349 1.00 0.00 H new ATOM 0 HG2 PRO A 363 4.344 -1.090 8.165 1.00 0.00 H new ATOM 0 HG3 PRO A 363 2.627 -1.378 7.966 1.00 0.00 H new ATOM 0 HD2 PRO A 363 4.560 -0.086 6.055 1.00 0.00 H new ATOM 0 HD3 PRO A 363 3.227 -1.170 5.710 1.00 0.00 H new ATOM 876 N TYR A 364 2.356 3.925 7.875 1.00 0.00 N ATOM 877 CA TYR A 364 2.909 5.278 7.842 1.00 0.00 C ATOM 878 C TYR A 364 4.220 5.363 8.624 1.00 0.00 C ATOM 879 O TYR A 364 5.066 6.214 8.346 1.00 0.00 O ATOM 880 CB TYR A 364 1.895 6.281 8.388 1.00 0.00 C ATOM 881 CG TYR A 364 2.510 7.528 8.988 1.00 0.00 C ATOM 882 CD1 TYR A 364 2.826 8.619 8.191 1.00 0.00 C ATOM 883 CD2 TYR A 364 2.771 7.612 10.351 1.00 0.00 C ATOM 884 CE1 TYR A 364 3.383 9.761 8.735 1.00 0.00 C ATOM 885 CE2 TYR A 364 3.329 8.749 10.902 1.00 0.00 C ATOM 886 CZ TYR A 364 3.633 9.821 10.090 1.00 0.00 C ATOM 887 OH TYR A 364 4.188 10.956 10.634 1.00 0.00 O ATOM 0 H TYR A 364 1.426 3.846 8.287 1.00 0.00 H new ATOM 0 HA TYR A 364 3.124 5.526 6.803 1.00 0.00 H new ATOM 0 HB2 TYR A 364 1.222 6.574 7.582 1.00 0.00 H new ATOM 0 HB3 TYR A 364 1.288 5.789 9.147 1.00 0.00 H new ATOM 0 HD1 TYR A 364 2.634 8.575 7.129 1.00 0.00 H new ATOM 0 HD2 TYR A 364 2.533 6.774 10.990 1.00 0.00 H new ATOM 0 HE1 TYR A 364 3.621 10.603 8.102 1.00 0.00 H new ATOM 0 HE2 TYR A 364 3.526 8.798 11.963 1.00 0.00 H new ATOM 0 HH TYR A 364 4.298 10.835 11.600 1.00 0.00 H new ATOM 897 N ASN A 365 4.380 4.485 9.607 1.00 0.00 N ATOM 898 CA ASN A 365 5.581 4.474 10.436 1.00 0.00 C ATOM 899 C ASN A 365 6.782 3.882 9.698 1.00 0.00 C ATOM 900 O ASN A 365 7.859 3.738 10.276 1.00 0.00 O ATOM 901 CB ASN A 365 5.327 3.686 11.721 1.00 0.00 C ATOM 902 CG ASN A 365 4.177 4.254 12.531 1.00 0.00 C ATOM 903 OD1 ASN A 365 2.961 4.112 12.014 1.00 0.00 O flip ATOM 904 ND2 ASN A 365 4.377 4.812 13.609 1.00 0.00 N flip ATOM 0 H ASN A 365 3.693 3.771 9.850 1.00 0.00 H new ATOM 0 HA ASN A 365 5.817 5.510 10.679 1.00 0.00 H new ATOM 0 HB2 ASN A 365 5.113 2.647 11.470 1.00 0.00 H new ATOM 0 HB3 ASN A 365 6.231 3.687 12.329 1.00 0.00 H new ATOM 0 HD21 ASN A 365 5.327 4.899 13.969 1.00 0.00 H new ATOM 0 HD22 ASN A 365 3.593 5.187 14.142 1.00 0.00 H new ATOM 911 N TYR A 366 6.599 3.541 8.424 1.00 0.00 N ATOM 912 CA TYR A 366 7.684 2.964 7.632 1.00 0.00 C ATOM 913 C TYR A 366 7.948 3.771 6.362 1.00 0.00 C ATOM 914 O TYR A 366 8.719 3.343 5.501 1.00 0.00 O ATOM 915 CB TYR A 366 7.367 1.512 7.258 1.00 0.00 C ATOM 916 CG TYR A 366 7.434 0.530 8.412 1.00 0.00 C ATOM 917 CD1 TYR A 366 8.159 0.809 9.568 1.00 0.00 C ATOM 918 CD2 TYR A 366 6.767 -0.685 8.339 1.00 0.00 C ATOM 919 CE1 TYR A 366 8.210 -0.094 10.614 1.00 0.00 C ATOM 920 CE2 TYR A 366 6.815 -1.592 9.379 1.00 0.00 C ATOM 921 CZ TYR A 366 7.536 -1.292 10.514 1.00 0.00 C ATOM 922 OH TYR A 366 7.582 -2.192 11.552 1.00 0.00 O ATOM 0 H TYR A 366 5.718 3.653 7.921 1.00 0.00 H new ATOM 0 HA TYR A 366 8.582 2.992 8.249 1.00 0.00 H new ATOM 0 HB2 TYR A 366 6.368 1.473 6.823 1.00 0.00 H new ATOM 0 HB3 TYR A 366 8.064 1.190 6.484 1.00 0.00 H new ATOM 0 HD1 TYR A 366 8.690 1.746 9.649 1.00 0.00 H new ATOM 0 HD2 TYR A 366 6.200 -0.926 7.452 1.00 0.00 H new ATOM 0 HE1 TYR A 366 8.775 0.138 11.505 1.00 0.00 H new ATOM 0 HE2 TYR A 366 6.290 -2.533 9.303 1.00 0.00 H new ATOM 0 HH TYR A 366 7.053 -2.984 11.322 1.00 0.00 H new ATOM 932 N ILE A 367 7.313 4.934 6.242 1.00 0.00 N ATOM 933 CA ILE A 367 7.502 5.778 5.065 1.00 0.00 C ATOM 934 C ILE A 367 7.484 7.259 5.419 1.00 0.00 C ATOM 935 O ILE A 367 6.760 7.687 6.319 1.00 0.00 O ATOM 936 CB ILE A 367 6.434 5.509 3.992 1.00 0.00 C ATOM 937 CG1 ILE A 367 5.044 5.400 4.623 1.00 0.00 C ATOM 938 CG2 ILE A 367 6.773 4.245 3.218 1.00 0.00 C ATOM 939 CD1 ILE A 367 3.918 5.535 3.621 1.00 0.00 C ATOM 0 H ILE A 367 6.669 5.311 6.938 1.00 0.00 H new ATOM 0 HA ILE A 367 8.483 5.520 4.665 1.00 0.00 H new ATOM 0 HB ILE A 367 6.423 6.349 3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 367 4.957 4.439 5.129 1.00 0.00 H new ATOM 0 HG13 ILE A 367 4.937 6.172 5.385 1.00 0.00 H new ATOM 0 HG21 ILE A 367 6.009 4.066 2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 367 7.742 4.364 2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 367 6.811 3.398 3.903 1.00 0.00 H new ATOM 0 HD11 ILE A 367 2.961 5.448 4.135 1.00 0.00 H new ATOM 0 HD12 ILE A 367 3.980 6.507 3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 367 4.001 4.747 2.873 1.00 0.00 H new ATOM 951 N GLU A 368 8.291 8.034 4.701 1.00 0.00 N ATOM 952 CA GLU A 368 8.379 9.470 4.925 1.00 0.00 C ATOM 953 C GLU A 368 7.513 10.229 3.925 1.00 0.00 C ATOM 954 O GLU A 368 7.123 9.684 2.891 1.00 0.00 O ATOM 955 CB GLU A 368 9.831 9.940 4.811 1.00 0.00 C ATOM 956 CG GLU A 368 10.129 11.192 5.618 1.00 0.00 C ATOM 957 CD GLU A 368 11.173 10.960 6.693 1.00 0.00 C ATOM 958 OE1 GLU A 368 10.801 10.497 7.791 1.00 0.00 O ATOM 959 OE2 GLU A 368 12.362 11.239 6.434 1.00 0.00 O ATOM 0 H GLU A 368 8.895 7.688 3.956 1.00 0.00 H new ATOM 0 HA GLU A 368 8.014 9.677 5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 368 10.491 9.138 5.143 1.00 0.00 H new ATOM 0 HB3 GLU A 368 10.062 10.130 3.763 1.00 0.00 H new ATOM 0 HG2 GLU A 368 10.473 11.979 4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 368 9.209 11.548 6.081 1.00 0.00 H new ATOM 966 N ILE A 369 7.223 11.488 4.235 1.00 0.00 N ATOM 967 CA ILE A 369 6.410 12.326 3.360 1.00 0.00 C ATOM 968 C ILE A 369 7.245 13.462 2.781 1.00 0.00 C ATOM 969 O ILE A 369 7.909 14.192 3.518 1.00 0.00 O ATOM 970 CB ILE A 369 5.202 12.919 4.113 1.00 0.00 C ATOM 971 CG1 ILE A 369 4.316 11.801 4.661 1.00 0.00 C ATOM 972 CG2 ILE A 369 4.399 13.835 3.200 1.00 0.00 C ATOM 973 CD1 ILE A 369 4.744 11.306 6.025 1.00 0.00 C ATOM 0 H ILE A 369 7.539 11.951 5.087 1.00 0.00 H new ATOM 0 HA ILE A 369 6.043 11.692 2.552 1.00 0.00 H new ATOM 0 HB ILE A 369 5.574 13.510 4.950 1.00 0.00 H new ATOM 0 HG12 ILE A 369 3.288 12.158 4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 369 4.324 10.966 3.961 1.00 0.00 H new ATOM 0 HG21 ILE A 369 3.551 14.244 3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 369 5.034 14.650 2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 369 4.037 13.268 2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 369 4.071 10.513 6.352 1.00 0.00 H new ATOM 0 HD12 ILE A 369 5.761 10.918 5.969 1.00 0.00 H new ATOM 0 HD13 ILE A 369 4.709 12.129 6.738 1.00 0.00 H new ATOM 985 N ILE A 370 7.214 13.606 1.460 1.00 0.00 N ATOM 986 CA ILE A 370 7.980 14.654 0.796 1.00 0.00 C ATOM 987 C ILE A 370 7.066 15.663 0.112 1.00 0.00 C ATOM 988 O ILE A 370 6.519 15.333 -0.962 1.00 0.00 O ATOM 989 CB ILE A 370 8.958 14.076 -0.241 1.00 0.00 C ATOM 990 CG1 ILE A 370 8.570 12.633 -0.562 1.00 0.00 C ATOM 991 CG2 ILE A 370 10.386 14.166 0.283 1.00 0.00 C ATOM 992 CD1 ILE A 370 9.679 11.803 -1.179 1.00 0.00 C ATOM 993 OXT ILE A 370 6.903 16.776 0.655 1.00 0.00 O ATOM 0 H ILE A 370 6.670 13.014 0.832 1.00 0.00 H new ATOM 0 HA ILE A 370 8.551 15.159 1.575 1.00 0.00 H new ATOM 0 HB ILE A 370 8.904 14.657 -1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 370 8.238 12.147 0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 370 7.719 12.642 -1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 370 11.072 13.755 -0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 370 10.639 15.209 0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 370 10.470 13.599 1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 370 9.314 10.794 -1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 370 9.997 12.260 -2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 370 10.524 11.757 -0.492 1.00 0.00 H new TER 1005 ILE A 370