USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 329 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 299 THR OG1 : rot 180:sc= 0.345 USER MOD Set 1.2: A 336 TYR OH : rot -142:sc= 0.378 USER MOD Set 2.1: A 296 HIS : no HD1:sc= -0.0859 X(o=-2.5,f=-2.3) USER MOD Set 2.2: A 302 ASN : amide:sc= -2.4! C(o=-2.5!,f=-6.4!) USER MOD Single : A 283 SER OG : rot -30:sc= 0.152 USER MOD Single : A 285 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 290 LYS NZ :NH3+ 173:sc= 1.61 (180deg=1.45) USER MOD Single : A 294 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 310 THR OG1 : rot 180:sc= 0 USER MOD Single : A 314 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 315 HIS : no HD1:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 321 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 323 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 325 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.2) USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 347 LYS NZ :NH3+ 177:sc= 1.29 (180deg=1.26) USER MOD ----------------------------------------------------------------- ATOM 7 N SER A 283 -9.754 -7.092 -2.292 1.00 0.00 N ATOM 8 CA SER A 283 -9.218 -6.194 -1.298 1.00 0.00 C ATOM 9 C SER A 283 -8.659 -6.972 -0.118 1.00 0.00 C ATOM 10 O SER A 283 -9.261 -7.954 0.340 1.00 0.00 O ATOM 11 CB SER A 283 -10.287 -5.192 -0.838 1.00 0.00 C ATOM 12 OG SER A 283 -11.483 -5.851 -0.451 1.00 0.00 O ATOM 0 HA SER A 283 -8.401 -5.631 -1.750 1.00 0.00 H new ATOM 0 HB2 SER A 283 -9.904 -4.608 -0.001 1.00 0.00 H new ATOM 0 HB3 SER A 283 -10.501 -4.490 -1.644 1.00 0.00 H new ATOM 0 HG SER A 283 -11.587 -6.674 -0.973 1.00 0.00 H new ATOM 18 N LEU A 284 -7.507 -6.554 0.350 1.00 0.00 N ATOM 19 CA LEU A 284 -6.852 -7.188 1.472 1.00 0.00 C ATOM 20 C LEU A 284 -6.615 -6.169 2.565 1.00 0.00 C ATOM 21 O LEU A 284 -6.878 -4.982 2.382 1.00 0.00 O ATOM 22 CB LEU A 284 -5.519 -7.805 1.035 1.00 0.00 C ATOM 23 CG LEU A 284 -5.607 -8.919 -0.011 1.00 0.00 C ATOM 24 CD1 LEU A 284 -4.219 -9.347 -0.445 1.00 0.00 C ATOM 25 CD2 LEU A 284 -6.374 -10.110 0.538 1.00 0.00 C ATOM 0 H LEU A 284 -6.995 -5.762 -0.037 1.00 0.00 H new ATOM 0 HA LEU A 284 -7.494 -7.983 1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 284 -4.886 -7.011 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 284 -5.018 -8.201 1.918 1.00 0.00 H new ATOM 0 HG LEU A 284 -6.142 -8.532 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 284 -4.299 -10.140 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 284 -3.694 -8.495 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 284 -3.665 -9.714 0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 284 -6.425 -10.891 -0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 284 -5.864 -10.495 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 284 -7.383 -9.800 0.808 1.00 0.00 H new ATOM 37 N LYS A 285 -6.111 -6.620 3.685 1.00 0.00 N ATOM 38 CA LYS A 285 -5.841 -5.743 4.797 1.00 0.00 C ATOM 39 C LYS A 285 -4.587 -6.185 5.531 1.00 0.00 C ATOM 40 O LYS A 285 -4.395 -7.371 5.807 1.00 0.00 O ATOM 41 CB LYS A 285 -7.045 -5.699 5.748 1.00 0.00 C ATOM 42 CG LYS A 285 -7.511 -7.067 6.222 1.00 0.00 C ATOM 43 CD LYS A 285 -8.804 -6.977 7.011 1.00 0.00 C ATOM 44 CE LYS A 285 -9.295 -8.355 7.412 1.00 0.00 C ATOM 45 NZ LYS A 285 -10.615 -8.302 8.090 1.00 0.00 N ATOM 0 H LYS A 285 -5.877 -7.599 3.852 1.00 0.00 H new ATOM 0 HA LYS A 285 -5.672 -4.737 4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 285 -6.786 -5.094 6.617 1.00 0.00 H new ATOM 0 HB3 LYS A 285 -7.873 -5.199 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 285 -7.654 -7.721 5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 285 -6.737 -7.520 6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 285 -8.648 -6.369 7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 285 -9.565 -6.476 6.413 1.00 0.00 H new ATOM 0 HE2 LYS A 285 -9.368 -8.985 6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 285 -8.566 -8.821 8.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 285 -10.912 -9.265 8.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 285 -10.540 -7.722 8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 285 -11.318 -7.882 7.449 1.00 0.00 H new ATOM 48 N VAL A 286 -3.734 -5.233 5.825 1.00 0.00 N ATOM 49 CA VAL A 286 -2.498 -5.495 6.537 1.00 0.00 C ATOM 50 C VAL A 286 -2.321 -4.471 7.637 1.00 0.00 C ATOM 51 O VAL A 286 -3.049 -3.476 7.684 1.00 0.00 O ATOM 52 CB VAL A 286 -1.262 -5.427 5.595 1.00 0.00 C ATOM 53 CG1 VAL A 286 -1.351 -6.474 4.494 1.00 0.00 C ATOM 54 CG2 VAL A 286 -1.114 -4.031 4.997 1.00 0.00 C ATOM 0 H VAL A 286 -3.874 -4.253 5.579 1.00 0.00 H new ATOM 0 HA VAL A 286 -2.564 -6.502 6.950 1.00 0.00 H new ATOM 0 HB VAL A 286 -0.376 -5.642 6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 286 -0.473 -6.402 3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 286 -1.394 -7.468 4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 286 -2.250 -6.303 3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 286 -0.243 -4.006 4.342 1.00 0.00 H new ATOM 0 HG22 VAL A 286 -2.007 -3.784 4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 286 -0.985 -3.304 5.799 1.00 0.00 H new ATOM 64 N ARG A 287 -1.377 -4.707 8.518 1.00 0.00 N ATOM 65 CA ARG A 287 -1.081 -3.758 9.568 1.00 0.00 C ATOM 66 C ARG A 287 0.384 -3.379 9.520 1.00 0.00 C ATOM 67 O ARG A 287 1.255 -4.242 9.372 1.00 0.00 O ATOM 68 CB ARG A 287 -1.472 -4.295 10.947 1.00 0.00 C ATOM 69 CG ARG A 287 -2.950 -4.628 11.064 1.00 0.00 C ATOM 70 CD ARG A 287 -3.468 -4.424 12.480 1.00 0.00 C ATOM 71 NE ARG A 287 -2.825 -5.306 13.451 1.00 0.00 N ATOM 72 CZ ARG A 287 -2.537 -4.957 14.706 1.00 0.00 C ATOM 73 NH1 ARG A 287 -2.773 -3.718 15.128 1.00 0.00 N ATOM 74 NH2 ARG A 287 -2.002 -5.839 15.529 1.00 0.00 N ATOM 0 H ARG A 287 -0.800 -5.548 8.529 1.00 0.00 H new ATOM 0 HA ARG A 287 -1.681 -2.864 9.399 1.00 0.00 H new ATOM 0 HB2 ARG A 287 -0.887 -5.190 11.160 1.00 0.00 H new ATOM 0 HB3 ARG A 287 -1.212 -3.556 11.705 1.00 0.00 H new ATOM 0 HG2 ARG A 287 -3.519 -4.002 10.376 1.00 0.00 H new ATOM 0 HG3 ARG A 287 -3.114 -5.663 10.763 1.00 0.00 H new ATOM 0 HD2 ARG A 287 -3.306 -3.387 12.775 1.00 0.00 H new ATOM 0 HD3 ARG A 287 -4.544 -4.596 12.497 1.00 0.00 H new ATOM 0 HE ARG A 287 -2.581 -6.249 13.150 1.00 0.00 H new ATOM 0 HH11 ARG A 287 -3.176 -3.030 14.491 1.00 0.00 H new ATOM 0 HH12 ARG A 287 -2.551 -3.455 16.088 1.00 0.00 H new ATOM 0 HH21 ARG A 287 -1.809 -6.787 15.205 1.00 0.00 H new ATOM 0 HH22 ARG A 287 -1.782 -5.573 16.489 1.00 0.00 H new ATOM 77 N ALA A 288 0.651 -2.096 9.627 1.00 0.00 N ATOM 78 CA ALA A 288 2.006 -1.582 9.521 1.00 0.00 C ATOM 79 C ALA A 288 2.803 -1.796 10.795 1.00 0.00 C ATOM 80 O ALA A 288 2.295 -1.600 11.903 1.00 0.00 O ATOM 81 CB ALA A 288 1.982 -0.106 9.149 1.00 0.00 C ATOM 0 H ALA A 288 -0.058 -1.380 9.789 1.00 0.00 H new ATOM 0 HA ALA A 288 2.506 -2.143 8.732 1.00 0.00 H new ATOM 0 HB1 ALA A 288 3.003 0.267 9.073 1.00 0.00 H new ATOM 0 HB2 ALA A 288 1.478 0.020 8.191 1.00 0.00 H new ATOM 0 HB3 ALA A 288 1.448 0.454 9.917 1.00 0.00 H new ATOM 87 N LEU A 289 4.048 -2.214 10.626 1.00 0.00 N ATOM 88 CA LEU A 289 4.968 -2.393 11.743 1.00 0.00 C ATOM 89 C LEU A 289 5.667 -1.087 12.035 1.00 0.00 C ATOM 90 O LEU A 289 6.056 -0.809 13.168 1.00 0.00 O ATOM 91 CB LEU A 289 6.018 -3.473 11.429 1.00 0.00 C ATOM 92 CG LEU A 289 5.619 -4.928 11.704 1.00 0.00 C ATOM 93 CD1 LEU A 289 5.323 -5.138 13.180 1.00 0.00 C ATOM 94 CD2 LEU A 289 4.433 -5.340 10.851 1.00 0.00 C ATOM 0 H LEU A 289 4.450 -2.438 9.716 1.00 0.00 H new ATOM 0 HA LEU A 289 4.393 -2.713 12.612 1.00 0.00 H new ATOM 0 HB2 LEU A 289 6.288 -3.388 10.376 1.00 0.00 H new ATOM 0 HB3 LEU A 289 6.915 -3.252 12.007 1.00 0.00 H new ATOM 0 HG LEU A 289 6.462 -5.563 11.433 1.00 0.00 H new ATOM 0 HD11 LEU A 289 5.042 -6.177 13.351 1.00 0.00 H new ATOM 0 HD12 LEU A 289 6.211 -4.901 13.766 1.00 0.00 H new ATOM 0 HD13 LEU A 289 4.503 -4.486 13.483 1.00 0.00 H new ATOM 0 HD21 LEU A 289 4.172 -6.376 11.067 1.00 0.00 H new ATOM 0 HD22 LEU A 289 3.582 -4.697 11.076 1.00 0.00 H new ATOM 0 HD23 LEU A 289 4.692 -5.243 9.797 1.00 0.00 H new ATOM 106 N LYS A 290 5.819 -0.286 11.005 1.00 0.00 N ATOM 107 CA LYS A 290 6.456 0.994 11.136 1.00 0.00 C ATOM 108 C LYS A 290 5.584 2.070 10.522 1.00 0.00 C ATOM 109 O LYS A 290 4.875 1.825 9.547 1.00 0.00 O ATOM 110 CB LYS A 290 7.837 0.979 10.462 1.00 0.00 C ATOM 111 CG LYS A 290 8.560 2.316 10.510 1.00 0.00 C ATOM 112 CD LYS A 290 8.898 2.711 11.934 1.00 0.00 C ATOM 113 CE LYS A 290 9.443 4.126 12.004 1.00 0.00 C ATOM 114 NZ LYS A 290 8.409 5.143 11.662 1.00 0.00 N ATOM 0 H LYS A 290 5.505 -0.506 10.060 1.00 0.00 H new ATOM 0 HA LYS A 290 6.593 1.210 12.196 1.00 0.00 H new ATOM 0 HB2 LYS A 290 8.458 0.224 10.944 1.00 0.00 H new ATOM 0 HB3 LYS A 290 7.719 0.678 9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 290 9.475 2.258 9.920 1.00 0.00 H new ATOM 0 HG3 LYS A 290 7.936 3.085 10.056 1.00 0.00 H new ATOM 0 HD2 LYS A 290 8.006 2.632 12.556 1.00 0.00 H new ATOM 0 HD3 LYS A 290 9.633 2.016 12.341 1.00 0.00 H new ATOM 0 HE2 LYS A 290 9.822 4.319 13.008 1.00 0.00 H new ATOM 0 HE3 LYS A 290 10.286 4.223 11.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 290 8.788 6.096 11.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 290 8.151 5.052 10.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 290 7.566 4.993 12.252 1.00 0.00 H new ATOM 117 N ASP A 291 5.635 3.248 11.104 1.00 0.00 N ATOM 118 CA ASP A 291 4.884 4.386 10.612 1.00 0.00 C ATOM 119 C ASP A 291 5.492 4.883 9.326 1.00 0.00 C ATOM 120 O ASP A 291 6.723 4.958 9.203 1.00 0.00 O ATOM 121 CB ASP A 291 4.924 5.538 11.623 1.00 0.00 C ATOM 122 CG ASP A 291 5.135 5.075 13.038 1.00 0.00 C ATOM 123 OD1 ASP A 291 6.284 4.690 13.365 1.00 0.00 O ATOM 124 OD2 ASP A 291 4.169 5.093 13.829 1.00 0.00 O ATOM 0 H ASP A 291 6.198 3.446 11.932 1.00 0.00 H new ATOM 0 HA ASP A 291 3.855 4.064 10.454 1.00 0.00 H new ATOM 0 HB2 ASP A 291 5.724 6.226 11.349 1.00 0.00 H new ATOM 0 HB3 ASP A 291 3.990 6.096 11.565 1.00 0.00 H new ATOM 127 N PHE A 292 4.653 5.215 8.381 1.00 0.00 N ATOM 128 CA PHE A 292 5.107 5.801 7.153 1.00 0.00 C ATOM 129 C PHE A 292 4.833 7.287 7.251 1.00 0.00 C ATOM 130 O PHE A 292 3.675 7.715 7.236 1.00 0.00 O ATOM 131 CB PHE A 292 4.345 5.199 5.964 1.00 0.00 C ATOM 132 CG PHE A 292 4.996 5.428 4.622 1.00 0.00 C ATOM 133 CD1 PHE A 292 5.001 6.684 4.033 1.00 0.00 C ATOM 134 CD2 PHE A 292 5.598 4.380 3.949 1.00 0.00 C ATOM 135 CE1 PHE A 292 5.594 6.886 2.802 1.00 0.00 C ATOM 136 CE2 PHE A 292 6.191 4.575 2.719 1.00 0.00 C ATOM 137 CZ PHE A 292 6.190 5.829 2.145 1.00 0.00 C ATOM 0 H PHE A 292 3.643 5.087 8.442 1.00 0.00 H new ATOM 0 HA PHE A 292 6.168 5.608 6.997 1.00 0.00 H new ATOM 0 HB2 PHE A 292 4.238 4.126 6.123 1.00 0.00 H new ATOM 0 HB3 PHE A 292 3.340 5.620 5.942 1.00 0.00 H new ATOM 0 HD1 PHE A 292 4.535 7.514 4.543 1.00 0.00 H new ATOM 0 HD2 PHE A 292 5.604 3.395 4.393 1.00 0.00 H new ATOM 0 HE1 PHE A 292 5.591 7.869 2.355 1.00 0.00 H new ATOM 0 HE2 PHE A 292 6.656 3.746 2.206 1.00 0.00 H new ATOM 0 HZ PHE A 292 6.655 5.984 1.183 1.00 0.00 H new ATOM 143 N TRP A 293 5.880 8.072 7.355 1.00 0.00 N ATOM 144 CA TRP A 293 5.718 9.491 7.537 1.00 0.00 C ATOM 145 C TRP A 293 6.896 10.242 6.951 1.00 0.00 C ATOM 146 O TRP A 293 8.040 10.048 7.360 1.00 0.00 O ATOM 147 CB TRP A 293 5.576 9.805 9.038 1.00 0.00 C ATOM 148 CG TRP A 293 5.170 11.222 9.356 1.00 0.00 C ATOM 149 CD1 TRP A 293 4.990 12.253 8.476 1.00 0.00 C ATOM 150 CD2 TRP A 293 4.890 11.755 10.655 1.00 0.00 C ATOM 151 NE1 TRP A 293 4.623 13.388 9.149 1.00 0.00 N ATOM 152 CE2 TRP A 293 4.553 13.109 10.489 1.00 0.00 C ATOM 153 CE3 TRP A 293 4.895 11.215 11.945 1.00 0.00 C ATOM 154 CZ2 TRP A 293 4.222 13.932 11.563 1.00 0.00 C ATOM 155 CZ3 TRP A 293 4.565 12.032 13.008 1.00 0.00 C ATOM 156 CH2 TRP A 293 4.234 13.378 12.811 1.00 0.00 C ATOM 0 H TRP A 293 6.848 7.752 7.317 1.00 0.00 H new ATOM 0 HA TRP A 293 4.817 9.814 7.016 1.00 0.00 H new ATOM 0 HB2 TRP A 293 4.839 9.127 9.468 1.00 0.00 H new ATOM 0 HB3 TRP A 293 6.526 9.596 9.529 1.00 0.00 H new ATOM 0 HD1 TRP A 293 5.119 12.183 7.406 1.00 0.00 H new ATOM 0 HE1 TRP A 293 4.433 14.294 8.722 1.00 0.00 H new ATOM 0 HE3 TRP A 293 5.152 10.179 12.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 293 3.965 14.970 11.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 293 4.562 11.626 14.009 1.00 0.00 H new ATOM 0 HH2 TRP A 293 3.983 13.991 13.664 1.00 0.00 H new ATOM 162 N ASN A 294 6.606 11.090 5.992 1.00 0.00 N ATOM 163 CA ASN A 294 7.614 11.926 5.369 1.00 0.00 C ATOM 164 C ASN A 294 6.970 13.204 4.876 1.00 0.00 C ATOM 165 O ASN A 294 7.503 14.290 5.058 1.00 0.00 O ATOM 166 CB ASN A 294 8.307 11.192 4.214 1.00 0.00 C ATOM 167 CG ASN A 294 9.385 12.033 3.549 1.00 0.00 C ATOM 168 OD1 ASN A 294 9.134 12.718 2.556 1.00 0.00 O ATOM 169 ND2 ASN A 294 10.583 12.004 4.100 1.00 0.00 N ATOM 0 H ASN A 294 5.666 11.222 5.619 1.00 0.00 H new ATOM 0 HA ASN A 294 8.377 12.166 6.109 1.00 0.00 H new ATOM 0 HB2 ASN A 294 8.751 10.270 4.589 1.00 0.00 H new ATOM 0 HB3 ASN A 294 7.563 10.908 3.470 1.00 0.00 H new ATOM 0 HD21 ASN A 294 11.340 12.561 3.704 1.00 0.00 H new ATOM 0 HD22 ASN A 294 10.752 11.424 4.922 1.00 0.00 H new ATOM 176 N LEU A 295 5.810 13.060 4.260 1.00 0.00 N ATOM 177 CA LEU A 295 5.041 14.189 3.764 1.00 0.00 C ATOM 178 C LEU A 295 3.568 13.865 3.777 1.00 0.00 C ATOM 179 O LEU A 295 3.165 12.785 3.354 1.00 0.00 O ATOM 180 CB LEU A 295 5.470 14.557 2.342 1.00 0.00 C ATOM 181 CG LEU A 295 6.665 15.491 2.235 1.00 0.00 C ATOM 182 CD1 LEU A 295 7.248 15.451 0.832 1.00 0.00 C ATOM 183 CD2 LEU A 295 6.258 16.912 2.593 1.00 0.00 C ATOM 0 H LEU A 295 5.373 12.154 4.089 1.00 0.00 H new ATOM 0 HA LEU A 295 5.230 15.039 4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 295 5.701 13.638 1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 295 4.623 15.020 1.835 1.00 0.00 H new ATOM 0 HG LEU A 295 7.428 15.157 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 295 8.102 16.125 0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 295 7.571 14.436 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 295 6.490 15.763 0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 295 7.123 17.570 2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 295 5.480 17.251 1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 295 5.879 16.935 3.615 1.00 0.00 H new ATOM 195 N HIS A 296 2.770 14.789 4.270 1.00 0.00 N ATOM 196 CA HIS A 296 1.327 14.604 4.273 1.00 0.00 C ATOM 197 C HIS A 296 0.765 15.022 2.936 1.00 0.00 C ATOM 198 O HIS A 296 0.345 16.165 2.748 1.00 0.00 O ATOM 199 CB HIS A 296 0.646 15.387 5.403 1.00 0.00 C ATOM 200 CG HIS A 296 0.896 14.836 6.772 1.00 0.00 C ATOM 201 ND1 HIS A 296 1.624 15.501 7.729 1.00 0.00 N ATOM 202 CD2 HIS A 296 0.484 13.685 7.352 1.00 0.00 C ATOM 203 CE1 HIS A 296 1.650 14.786 8.836 1.00 0.00 C ATOM 204 NE2 HIS A 296 0.966 13.682 8.632 1.00 0.00 N ATOM 0 H HIS A 296 3.089 15.671 4.672 1.00 0.00 H new ATOM 0 HA HIS A 296 1.124 13.547 4.448 1.00 0.00 H new ATOM 0 HB2 HIS A 296 0.990 16.421 5.372 1.00 0.00 H new ATOM 0 HB3 HIS A 296 -0.429 15.403 5.221 1.00 0.00 H new ATOM 0 HD2 HIS A 296 -0.114 12.913 6.890 1.00 0.00 H new ATOM 0 HE1 HIS A 296 2.148 15.060 9.754 1.00 0.00 H new ATOM 0 HE2 HIS A 296 0.818 12.942 9.318 1.00 0.00 H new ATOM 209 N ASP A 297 0.799 14.109 1.996 1.00 0.00 N ATOM 210 CA ASP A 297 0.344 14.381 0.649 1.00 0.00 C ATOM 211 C ASP A 297 -0.267 13.117 0.061 1.00 0.00 C ATOM 212 O ASP A 297 0.172 12.019 0.391 1.00 0.00 O ATOM 213 CB ASP A 297 1.540 14.840 -0.202 1.00 0.00 C ATOM 214 CG ASP A 297 1.129 15.494 -1.499 1.00 0.00 C ATOM 215 OD1 ASP A 297 0.921 16.726 -1.501 1.00 0.00 O ATOM 216 OD2 ASP A 297 1.015 14.789 -2.521 1.00 0.00 O ATOM 0 H ASP A 297 1.141 13.159 2.140 1.00 0.00 H new ATOM 0 HA ASP A 297 -0.411 15.168 0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 297 2.142 15.541 0.376 1.00 0.00 H new ATOM 0 HB3 ASP A 297 2.174 13.980 -0.420 1.00 0.00 H new ATOM 219 N PRO A 298 -1.300 13.251 -0.804 1.00 0.00 N ATOM 220 CA PRO A 298 -1.967 12.098 -1.451 1.00 0.00 C ATOM 221 C PRO A 298 -1.011 11.212 -2.274 1.00 0.00 C ATOM 222 O PRO A 298 -1.402 10.157 -2.763 1.00 0.00 O ATOM 223 CB PRO A 298 -3.000 12.743 -2.377 1.00 0.00 C ATOM 224 CG PRO A 298 -3.207 14.118 -1.844 1.00 0.00 C ATOM 225 CD PRO A 298 -1.924 14.528 -1.189 1.00 0.00 C ATOM 0 HA PRO A 298 -2.389 11.430 -0.701 1.00 0.00 H new ATOM 0 HB2 PRO A 298 -2.642 12.771 -3.406 1.00 0.00 H new ATOM 0 HB3 PRO A 298 -3.932 12.178 -2.379 1.00 0.00 H new ATOM 0 HG2 PRO A 298 -3.469 14.808 -2.646 1.00 0.00 H new ATOM 0 HG3 PRO A 298 -4.029 14.135 -1.128 1.00 0.00 H new ATOM 0 HD2 PRO A 298 -1.289 15.093 -1.872 1.00 0.00 H new ATOM 0 HD3 PRO A 298 -2.103 15.163 -0.321 1.00 0.00 H new ATOM 233 N THR A 299 0.220 11.656 -2.451 1.00 0.00 N ATOM 234 CA THR A 299 1.204 10.858 -3.162 1.00 0.00 C ATOM 235 C THR A 299 1.925 9.907 -2.191 1.00 0.00 C ATOM 236 O THR A 299 2.621 8.982 -2.609 1.00 0.00 O ATOM 237 CB THR A 299 2.244 11.748 -3.905 1.00 0.00 C ATOM 238 OG1 THR A 299 3.004 10.957 -4.839 1.00 0.00 O ATOM 239 CG2 THR A 299 3.197 12.419 -2.922 1.00 0.00 C ATOM 0 H THR A 299 0.561 12.557 -2.116 1.00 0.00 H new ATOM 0 HA THR A 299 0.670 10.273 -3.911 1.00 0.00 H new ATOM 0 HB THR A 299 1.694 12.520 -4.442 1.00 0.00 H new ATOM 0 HG1 THR A 299 3.653 11.529 -5.300 1.00 0.00 H new ATOM 0 HG21 THR A 299 3.911 13.034 -3.470 1.00 0.00 H new ATOM 0 HG22 THR A 299 2.629 13.047 -2.236 1.00 0.00 H new ATOM 0 HG23 THR A 299 3.733 11.657 -2.357 1.00 0.00 H new ATOM 246 N ALA A 300 1.730 10.130 -0.898 1.00 0.00 N ATOM 247 CA ALA A 300 2.373 9.328 0.123 1.00 0.00 C ATOM 248 C ALA A 300 1.340 8.670 1.027 1.00 0.00 C ATOM 249 O ALA A 300 0.249 9.198 1.229 1.00 0.00 O ATOM 250 CB ALA A 300 3.329 10.185 0.944 1.00 0.00 C ATOM 0 H ALA A 300 1.126 10.867 -0.534 1.00 0.00 H new ATOM 0 HA ALA A 300 2.943 8.541 -0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 300 3.805 9.570 1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 300 4.092 10.607 0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 300 2.774 10.992 1.423 1.00 0.00 H new ATOM 256 N LEU A 301 1.684 7.518 1.563 1.00 0.00 N ATOM 257 CA LEU A 301 0.786 6.796 2.441 1.00 0.00 C ATOM 258 C LEU A 301 0.976 7.243 3.888 1.00 0.00 C ATOM 259 O LEU A 301 1.948 6.874 4.534 1.00 0.00 O ATOM 260 CB LEU A 301 1.019 5.291 2.324 1.00 0.00 C ATOM 261 CG LEU A 301 0.093 4.421 3.164 1.00 0.00 C ATOM 262 CD1 LEU A 301 -1.314 4.421 2.588 1.00 0.00 C ATOM 263 CD2 LEU A 301 0.636 3.014 3.267 1.00 0.00 C ATOM 0 H LEU A 301 2.582 7.060 1.406 1.00 0.00 H new ATOM 0 HA LEU A 301 -0.237 7.017 2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 301 0.911 5.004 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 301 2.049 5.076 2.608 1.00 0.00 H new ATOM 0 HG LEU A 301 0.044 4.840 4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 301 -1.959 3.794 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 301 -1.702 5.439 2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 301 -1.291 4.030 1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 301 -0.039 2.407 3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 301 0.719 2.582 2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 301 1.620 3.037 3.735 1.00 0.00 H new ATOM 275 N ASN A 302 0.052 8.041 4.380 1.00 0.00 N ATOM 276 CA ASN A 302 0.125 8.541 5.750 1.00 0.00 C ATOM 277 C ASN A 302 -0.458 7.517 6.719 1.00 0.00 C ATOM 278 O ASN A 302 -1.670 7.482 6.943 1.00 0.00 O ATOM 279 CB ASN A 302 -0.624 9.878 5.882 1.00 0.00 C ATOM 280 CG ASN A 302 -0.150 10.920 4.884 1.00 0.00 C ATOM 281 OD1 ASN A 302 0.805 11.650 5.137 1.00 0.00 O ATOM 282 ND2 ASN A 302 -0.830 11.012 3.751 1.00 0.00 N ATOM 0 H ASN A 302 -0.762 8.362 3.856 1.00 0.00 H new ATOM 0 HA ASN A 302 1.174 8.706 5.998 1.00 0.00 H new ATOM 0 HB2 ASN A 302 -1.691 9.707 5.742 1.00 0.00 H new ATOM 0 HB3 ASN A 302 -0.493 10.264 6.893 1.00 0.00 H new ATOM 0 HD21 ASN A 302 -0.566 11.707 3.053 1.00 0.00 H new ATOM 0 HD22 ASN A 302 -1.618 10.388 3.577 1.00 0.00 H new ATOM 289 N VAL A 303 0.399 6.679 7.283 1.00 0.00 N ATOM 290 CA VAL A 303 -0.046 5.629 8.186 1.00 0.00 C ATOM 291 C VAL A 303 0.923 5.476 9.358 1.00 0.00 C ATOM 292 O VAL A 303 2.124 5.672 9.207 1.00 0.00 O ATOM 293 CB VAL A 303 -0.197 4.271 7.435 1.00 0.00 C ATOM 294 CG1 VAL A 303 1.146 3.769 6.926 1.00 0.00 C ATOM 295 CG2 VAL A 303 -0.869 3.227 8.313 1.00 0.00 C ATOM 0 H VAL A 303 1.407 6.706 7.131 1.00 0.00 H new ATOM 0 HA VAL A 303 -1.023 5.918 8.575 1.00 0.00 H new ATOM 0 HB VAL A 303 -0.838 4.445 6.571 1.00 0.00 H new ATOM 0 HG11 VAL A 303 1.007 2.821 6.407 1.00 0.00 H new ATOM 0 HG12 VAL A 303 1.571 4.500 6.238 1.00 0.00 H new ATOM 0 HG13 VAL A 303 1.824 3.626 7.768 1.00 0.00 H new ATOM 0 HG21 VAL A 303 -0.960 2.291 7.761 1.00 0.00 H new ATOM 0 HG22 VAL A 303 -0.269 3.063 9.208 1.00 0.00 H new ATOM 0 HG23 VAL A 303 -1.861 3.577 8.600 1.00 0.00 H new ATOM 305 N ARG A 304 0.397 5.140 10.521 1.00 0.00 N ATOM 306 CA ARG A 304 1.225 4.970 11.701 1.00 0.00 C ATOM 307 C ARG A 304 1.329 3.500 12.088 1.00 0.00 C ATOM 308 O ARG A 304 0.511 2.676 11.668 1.00 0.00 O ATOM 309 CB ARG A 304 0.690 5.809 12.863 1.00 0.00 C ATOM 310 CG ARG A 304 0.764 7.309 12.607 1.00 0.00 C ATOM 311 CD ARG A 304 0.278 8.114 13.801 1.00 0.00 C ATOM 312 NE ARG A 304 -1.133 7.866 14.104 1.00 0.00 N ATOM 313 CZ ARG A 304 -1.864 8.610 14.934 1.00 0.00 C ATOM 314 NH1 ARG A 304 -1.336 9.679 15.508 1.00 0.00 N ATOM 315 NH2 ARG A 304 -3.134 8.289 15.172 1.00 0.00 N ATOM 0 H ARG A 304 -0.599 4.979 10.674 1.00 0.00 H new ATOM 0 HA ARG A 304 2.229 5.323 11.465 1.00 0.00 H new ATOM 0 HB2 ARG A 304 -0.346 5.531 13.056 1.00 0.00 H new ATOM 0 HB3 ARG A 304 1.256 5.573 13.764 1.00 0.00 H new ATOM 0 HG2 ARG A 304 1.792 7.587 12.376 1.00 0.00 H new ATOM 0 HG3 ARG A 304 0.163 7.558 11.733 1.00 0.00 H new ATOM 0 HD2 ARG A 304 0.883 7.867 14.673 1.00 0.00 H new ATOM 0 HD3 ARG A 304 0.423 9.176 13.603 1.00 0.00 H new ATOM 0 HE ARG A 304 -1.586 7.072 13.651 1.00 0.00 H new ATOM 0 HH11 ARG A 304 -0.368 9.935 15.316 1.00 0.00 H new ATOM 0 HH12 ARG A 304 -1.897 10.247 16.143 1.00 0.00 H new ATOM 0 HH21 ARG A 304 -3.547 7.474 14.719 1.00 0.00 H new ATOM 0 HH22 ARG A 304 -3.693 8.858 15.807 1.00 0.00 H new ATOM 318 N ALA A 305 2.338 3.177 12.887 1.00 0.00 N ATOM 319 CA ALA A 305 2.587 1.805 13.300 1.00 0.00 C ATOM 320 C ALA A 305 1.399 1.220 14.056 1.00 0.00 C ATOM 321 O ALA A 305 0.896 1.815 15.015 1.00 0.00 O ATOM 322 CB ALA A 305 3.848 1.732 14.146 1.00 0.00 C ATOM 0 H ALA A 305 3.001 3.854 13.264 1.00 0.00 H new ATOM 0 HA ALA A 305 2.728 1.206 12.400 1.00 0.00 H new ATOM 0 HB1 ALA A 305 4.024 0.700 14.449 1.00 0.00 H new ATOM 0 HB2 ALA A 305 4.698 2.089 13.564 1.00 0.00 H new ATOM 0 HB3 ALA A 305 3.728 2.355 15.032 1.00 0.00 H new ATOM 328 N GLY A 306 0.950 0.058 13.614 1.00 0.00 N ATOM 329 CA GLY A 306 -0.165 -0.600 14.252 1.00 0.00 C ATOM 330 C GLY A 306 -1.475 -0.361 13.536 1.00 0.00 C ATOM 331 O GLY A 306 -2.469 -1.047 13.803 1.00 0.00 O ATOM 0 H GLY A 306 1.343 -0.444 12.818 1.00 0.00 H new ATOM 0 HA2 GLY A 306 0.029 -1.672 14.297 1.00 0.00 H new ATOM 0 HA3 GLY A 306 -0.249 -0.248 15.280 1.00 0.00 H new ATOM 335 N ASP A 307 -1.485 0.602 12.625 1.00 0.00 N ATOM 336 CA ASP A 307 -2.701 0.941 11.893 1.00 0.00 C ATOM 337 C ASP A 307 -2.925 -0.036 10.736 1.00 0.00 C ATOM 338 O ASP A 307 -1.991 -0.732 10.304 1.00 0.00 O ATOM 339 CB ASP A 307 -2.638 2.390 11.386 1.00 0.00 C ATOM 340 CG ASP A 307 -3.968 2.897 10.856 1.00 0.00 C ATOM 341 OD1 ASP A 307 -5.025 2.344 11.248 1.00 0.00 O ATOM 342 OD2 ASP A 307 -3.967 3.860 10.062 1.00 0.00 O ATOM 0 H ASP A 307 -0.670 1.161 12.375 1.00 0.00 H new ATOM 0 HA ASP A 307 -3.549 0.857 12.573 1.00 0.00 H new ATOM 0 HB2 ASP A 307 -2.307 3.038 12.198 1.00 0.00 H new ATOM 0 HB3 ASP A 307 -1.889 2.460 10.597 1.00 0.00 H new ATOM 345 N VAL A 308 -4.156 -0.086 10.244 1.00 0.00 N ATOM 346 CA VAL A 308 -4.534 -1.010 9.189 1.00 0.00 C ATOM 347 C VAL A 308 -4.519 -0.338 7.819 1.00 0.00 C ATOM 348 O VAL A 308 -4.847 0.844 7.683 1.00 0.00 O ATOM 349 CB VAL A 308 -5.938 -1.624 9.441 1.00 0.00 C ATOM 350 CG1 VAL A 308 -5.974 -2.349 10.776 1.00 0.00 C ATOM 351 CG2 VAL A 308 -7.022 -0.554 9.387 1.00 0.00 C ATOM 0 H VAL A 308 -4.917 0.512 10.566 1.00 0.00 H new ATOM 0 HA VAL A 308 -3.791 -1.808 9.200 1.00 0.00 H new ATOM 0 HB VAL A 308 -6.135 -2.346 8.649 1.00 0.00 H new ATOM 0 HG11 VAL A 308 -6.966 -2.772 10.934 1.00 0.00 H new ATOM 0 HG12 VAL A 308 -5.234 -3.149 10.775 1.00 0.00 H new ATOM 0 HG13 VAL A 308 -5.748 -1.646 11.578 1.00 0.00 H new ATOM 0 HG21 VAL A 308 -7.995 -1.012 9.567 1.00 0.00 H new ATOM 0 HG22 VAL A 308 -6.829 0.199 10.151 1.00 0.00 H new ATOM 0 HG23 VAL A 308 -7.019 -0.082 8.404 1.00 0.00 H new ATOM 361 N ILE A 309 -4.131 -1.097 6.814 1.00 0.00 N ATOM 362 CA ILE A 309 -4.077 -0.605 5.452 1.00 0.00 C ATOM 363 C ILE A 309 -4.819 -1.564 4.528 1.00 0.00 C ATOM 364 O ILE A 309 -4.583 -2.775 4.564 1.00 0.00 O ATOM 365 CB ILE A 309 -2.615 -0.480 4.957 1.00 0.00 C ATOM 366 CG1 ILE A 309 -1.765 0.309 5.962 1.00 0.00 C ATOM 367 CG2 ILE A 309 -2.575 0.190 3.586 1.00 0.00 C ATOM 368 CD1 ILE A 309 -0.280 0.254 5.678 1.00 0.00 C ATOM 0 H ILE A 309 -3.845 -2.070 6.918 1.00 0.00 H new ATOM 0 HA ILE A 309 -4.543 0.380 5.436 1.00 0.00 H new ATOM 0 HB ILE A 309 -2.197 -1.483 4.869 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -2.088 1.350 5.959 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -1.949 -0.079 6.964 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -1.541 0.271 3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -3.142 -0.408 2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -3.013 1.186 3.655 1.00 0.00 H new ATOM 0 HD11 ILE A 309 0.256 0.834 6.429 1.00 0.00 H new ATOM 0 HD12 ILE A 309 0.058 -0.782 5.710 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -0.083 0.670 4.690 1.00 0.00 H new ATOM 379 N THR A 310 -5.717 -1.036 3.720 1.00 0.00 N ATOM 380 CA THR A 310 -6.448 -1.843 2.772 1.00 0.00 C ATOM 381 C THR A 310 -5.646 -1.966 1.478 1.00 0.00 C ATOM 382 O THR A 310 -5.502 -0.999 0.729 1.00 0.00 O ATOM 383 CB THR A 310 -7.829 -1.231 2.472 1.00 0.00 C ATOM 384 OG1 THR A 310 -8.503 -0.943 3.709 1.00 0.00 O ATOM 385 CG2 THR A 310 -8.676 -2.190 1.647 1.00 0.00 C ATOM 0 H THR A 310 -5.957 -0.045 3.704 1.00 0.00 H new ATOM 0 HA THR A 310 -6.600 -2.831 3.207 1.00 0.00 H new ATOM 0 HB THR A 310 -7.686 -0.313 1.902 1.00 0.00 H new ATOM 0 HG1 THR A 310 -9.381 -0.552 3.520 1.00 0.00 H new ATOM 0 HG21 THR A 310 -9.647 -1.737 1.447 1.00 0.00 H new ATOM 0 HG22 THR A 310 -8.172 -2.401 0.704 1.00 0.00 H new ATOM 0 HG23 THR A 310 -8.816 -3.119 2.199 1.00 0.00 H new ATOM 392 N VAL A 311 -5.119 -3.148 1.235 1.00 0.00 N ATOM 393 CA VAL A 311 -4.293 -3.400 0.066 1.00 0.00 C ATOM 394 C VAL A 311 -5.157 -3.875 -1.091 1.00 0.00 C ATOM 395 O VAL A 311 -6.183 -4.520 -0.879 1.00 0.00 O ATOM 396 CB VAL A 311 -3.219 -4.479 0.366 1.00 0.00 C ATOM 397 CG1 VAL A 311 -2.166 -4.534 -0.734 1.00 0.00 C ATOM 398 CG2 VAL A 311 -2.574 -4.236 1.720 1.00 0.00 C ATOM 0 H VAL A 311 -5.249 -3.960 1.838 1.00 0.00 H new ATOM 0 HA VAL A 311 -3.796 -2.467 -0.199 1.00 0.00 H new ATOM 0 HB VAL A 311 -3.719 -5.447 0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 311 -1.428 -5.300 -0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 311 -2.644 -4.776 -1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 311 -1.671 -3.566 -0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 311 -1.824 -5.004 1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 311 -2.098 -3.256 1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 311 -3.336 -4.273 2.498 1.00 0.00 H new ATOM 408 N LEU A 312 -4.757 -3.540 -2.306 1.00 0.00 N ATOM 409 CA LEU A 312 -5.479 -3.976 -3.487 1.00 0.00 C ATOM 410 C LEU A 312 -5.387 -5.499 -3.632 1.00 0.00 C ATOM 411 O LEU A 312 -6.404 -6.188 -3.700 1.00 0.00 O ATOM 412 CB LEU A 312 -4.918 -3.287 -4.732 1.00 0.00 C ATOM 413 CG LEU A 312 -5.651 -3.574 -6.044 1.00 0.00 C ATOM 414 CD1 LEU A 312 -7.084 -3.066 -5.984 1.00 0.00 C ATOM 415 CD2 LEU A 312 -4.911 -2.946 -7.210 1.00 0.00 C ATOM 0 H LEU A 312 -3.936 -2.967 -2.499 1.00 0.00 H new ATOM 0 HA LEU A 312 -6.528 -3.700 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 312 -4.926 -2.210 -4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 312 -3.876 -3.583 -4.849 1.00 0.00 H new ATOM 0 HG LEU A 312 -5.680 -4.654 -6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 312 -7.586 -3.281 -6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 312 -7.612 -3.563 -5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 312 -7.082 -1.990 -5.811 1.00 0.00 H new ATOM 0 HD21 LEU A 312 -5.444 -3.159 -8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 312 -4.852 -1.867 -7.065 1.00 0.00 H new ATOM 0 HD23 LEU A 312 -3.904 -3.360 -7.268 1.00 0.00 H new ATOM 427 N GLU A 313 -4.156 -6.009 -3.673 1.00 0.00 N ATOM 428 CA GLU A 313 -3.905 -7.444 -3.772 1.00 0.00 C ATOM 429 C GLU A 313 -2.411 -7.727 -3.716 1.00 0.00 C ATOM 430 O GLU A 313 -1.604 -6.944 -4.219 1.00 0.00 O ATOM 431 CB GLU A 313 -4.496 -8.027 -5.067 1.00 0.00 C ATOM 432 CG GLU A 313 -3.973 -7.384 -6.342 1.00 0.00 C ATOM 433 CD GLU A 313 -4.532 -8.034 -7.580 1.00 0.00 C ATOM 434 OE1 GLU A 313 -3.974 -9.051 -8.020 1.00 0.00 O ATOM 435 OE2 GLU A 313 -5.548 -7.542 -8.115 1.00 0.00 O ATOM 0 H GLU A 313 -3.310 -5.441 -3.639 1.00 0.00 H new ATOM 0 HA GLU A 313 -4.394 -7.924 -2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 313 -4.283 -9.096 -5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 313 -5.580 -7.918 -5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 313 -4.229 -6.324 -6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 313 -2.885 -7.449 -6.360 1.00 0.00 H new ATOM 438 N GLN A 314 -2.042 -8.836 -3.095 1.00 0.00 N ATOM 439 CA GLN A 314 -0.650 -9.216 -3.020 1.00 0.00 C ATOM 440 C GLN A 314 -0.280 -10.130 -4.181 1.00 0.00 C ATOM 441 O GLN A 314 -0.235 -11.355 -4.053 1.00 0.00 O ATOM 442 CB GLN A 314 -0.295 -9.851 -1.661 1.00 0.00 C ATOM 443 CG GLN A 314 -1.157 -11.037 -1.261 1.00 0.00 C ATOM 444 CD GLN A 314 -0.680 -11.691 0.019 1.00 0.00 C ATOM 445 OE1 GLN A 314 0.513 -11.677 0.331 1.00 0.00 O ATOM 446 NE2 GLN A 314 -1.599 -12.269 0.761 1.00 0.00 N ATOM 0 H GLN A 314 -2.687 -9.482 -2.640 1.00 0.00 H new ATOM 0 HA GLN A 314 -0.055 -8.307 -3.102 1.00 0.00 H new ATOM 0 HB2 GLN A 314 0.747 -10.171 -1.688 1.00 0.00 H new ATOM 0 HB3 GLN A 314 -0.374 -9.087 -0.888 1.00 0.00 H new ATOM 0 HG2 GLN A 314 -2.188 -10.707 -1.135 1.00 0.00 H new ATOM 0 HG3 GLN A 314 -1.154 -11.773 -2.065 1.00 0.00 H new ATOM 0 HE21 GLN A 314 -2.575 -12.257 0.465 1.00 0.00 H new ATOM 0 HE22 GLN A 314 -1.336 -12.729 1.632 1.00 0.00 H new ATOM 455 N HIS A 315 -0.063 -9.523 -5.323 1.00 0.00 N ATOM 456 CA HIS A 315 0.306 -10.252 -6.518 1.00 0.00 C ATOM 457 C HIS A 315 1.433 -9.520 -7.259 1.00 0.00 C ATOM 458 O HIS A 315 2.472 -10.116 -7.534 1.00 0.00 O ATOM 459 CB HIS A 315 -0.915 -10.476 -7.429 1.00 0.00 C ATOM 460 CG HIS A 315 -0.868 -11.763 -8.192 1.00 0.00 C ATOM 461 ND1 HIS A 315 -1.082 -11.848 -9.548 1.00 0.00 N ATOM 462 CD2 HIS A 315 -0.658 -13.027 -7.769 1.00 0.00 C ATOM 463 CE1 HIS A 315 -1.005 -13.111 -9.924 1.00 0.00 C ATOM 464 NE2 HIS A 315 -0.747 -13.846 -8.861 1.00 0.00 N ATOM 0 H HIS A 315 -0.136 -8.514 -5.453 1.00 0.00 H new ATOM 0 HA HIS A 315 0.675 -11.235 -6.225 1.00 0.00 H new ATOM 0 HB2 HIS A 315 -1.819 -10.457 -6.821 1.00 0.00 H new ATOM 0 HB3 HIS A 315 -0.988 -9.648 -8.134 1.00 0.00 H new ATOM 0 HD2 HIS A 315 -0.456 -13.336 -6.754 1.00 0.00 H new ATOM 0 HE1 HIS A 315 -1.132 -13.479 -10.931 1.00 0.00 H new ATOM 0 HE2 HIS A 315 -0.632 -14.860 -8.854 1.00 0.00 H new ATOM 469 N PRO A 316 1.261 -8.203 -7.586 1.00 0.00 N ATOM 470 CA PRO A 316 2.304 -7.423 -8.226 1.00 0.00 C ATOM 471 C PRO A 316 3.281 -6.885 -7.188 1.00 0.00 C ATOM 472 O PRO A 316 2.989 -5.907 -6.494 1.00 0.00 O ATOM 473 CB PRO A 316 1.540 -6.267 -8.909 1.00 0.00 C ATOM 474 CG PRO A 316 0.090 -6.469 -8.559 1.00 0.00 C ATOM 475 CD PRO A 316 0.067 -7.379 -7.370 1.00 0.00 C ATOM 0 HA PRO A 316 2.896 -8.007 -8.930 1.00 0.00 H new ATOM 0 HB2 PRO A 316 1.896 -5.300 -8.555 1.00 0.00 H new ATOM 0 HB3 PRO A 316 1.688 -6.285 -9.989 1.00 0.00 H new ATOM 0 HG2 PRO A 316 -0.391 -5.518 -8.330 1.00 0.00 H new ATOM 0 HG3 PRO A 316 -0.454 -6.908 -9.395 1.00 0.00 H new ATOM 0 HD2 PRO A 316 0.119 -6.825 -6.433 1.00 0.00 H new ATOM 0 HD3 PRO A 316 -0.842 -7.980 -7.335 1.00 0.00 H new ATOM 483 N ASP A 317 4.420 -7.541 -7.072 1.00 0.00 N ATOM 484 CA ASP A 317 5.433 -7.187 -6.088 1.00 0.00 C ATOM 485 C ASP A 317 5.963 -5.778 -6.304 1.00 0.00 C ATOM 486 O ASP A 317 6.051 -5.297 -7.439 1.00 0.00 O ATOM 487 CB ASP A 317 6.580 -8.193 -6.128 1.00 0.00 C ATOM 488 CG ASP A 317 7.644 -7.912 -5.095 1.00 0.00 C ATOM 489 OD1 ASP A 317 7.379 -8.121 -3.894 1.00 0.00 O ATOM 490 OD2 ASP A 317 8.755 -7.486 -5.476 1.00 0.00 O ATOM 0 H ASP A 317 4.672 -8.337 -7.658 1.00 0.00 H new ATOM 0 HA ASP A 317 4.962 -7.215 -5.105 1.00 0.00 H new ATOM 0 HB2 ASP A 317 6.183 -9.196 -5.970 1.00 0.00 H new ATOM 0 HB3 ASP A 317 7.032 -8.182 -7.120 1.00 0.00 H new ATOM 493 N GLY A 318 6.298 -5.128 -5.216 1.00 0.00 N ATOM 494 CA GLY A 318 6.806 -3.780 -5.264 1.00 0.00 C ATOM 495 C GLY A 318 6.016 -2.875 -4.358 1.00 0.00 C ATOM 496 O GLY A 318 5.360 -3.348 -3.428 1.00 0.00 O ATOM 0 H GLY A 318 6.226 -5.517 -4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 318 7.855 -3.772 -4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 318 6.761 -3.406 -6.287 1.00 0.00 H new ATOM 500 N ARG A 319 6.069 -1.586 -4.612 1.00 0.00 N ATOM 501 CA ARG A 319 5.307 -0.639 -3.825 1.00 0.00 C ATOM 502 C ARG A 319 3.858 -0.612 -4.317 1.00 0.00 C ATOM 503 O ARG A 319 3.537 0.021 -5.325 1.00 0.00 O ATOM 504 CB ARG A 319 5.943 0.770 -3.873 1.00 0.00 C ATOM 505 CG ARG A 319 6.037 1.378 -5.270 1.00 0.00 C ATOM 506 CD ARG A 319 6.584 2.788 -5.231 1.00 0.00 C ATOM 507 NE ARG A 319 6.417 3.477 -6.512 1.00 0.00 N ATOM 508 CZ ARG A 319 6.966 4.653 -6.815 1.00 0.00 C ATOM 509 NH1 ARG A 319 7.753 5.274 -5.939 1.00 0.00 N ATOM 510 NH2 ARG A 319 6.728 5.205 -7.996 1.00 0.00 N ATOM 0 H ARG A 319 6.630 -1.169 -5.355 1.00 0.00 H new ATOM 0 HA ARG A 319 5.318 -0.958 -2.783 1.00 0.00 H new ATOM 0 HB2 ARG A 319 5.361 1.439 -3.239 1.00 0.00 H new ATOM 0 HB3 ARG A 319 6.945 0.717 -3.446 1.00 0.00 H new ATOM 0 HG2 ARG A 319 6.678 0.756 -5.895 1.00 0.00 H new ATOM 0 HG3 ARG A 319 5.050 1.383 -5.732 1.00 0.00 H new ATOM 0 HD2 ARG A 319 6.078 3.352 -4.448 1.00 0.00 H new ATOM 0 HD3 ARG A 319 7.642 2.759 -4.970 1.00 0.00 H new ATOM 0 HE ARG A 319 5.840 3.026 -7.222 1.00 0.00 H new ATOM 0 HH11 ARG A 319 7.939 4.850 -5.030 1.00 0.00 H new ATOM 0 HH12 ARG A 319 8.170 6.174 -6.177 1.00 0.00 H new ATOM 0 HH21 ARG A 319 6.127 4.730 -8.669 1.00 0.00 H new ATOM 0 HH22 ARG A 319 7.146 6.105 -8.232 1.00 0.00 H new ATOM 513 N TRP A 320 2.994 -1.323 -3.632 1.00 0.00 N ATOM 514 CA TRP A 320 1.606 -1.400 -4.056 1.00 0.00 C ATOM 515 C TRP A 320 0.765 -0.294 -3.445 1.00 0.00 C ATOM 516 O TRP A 320 1.134 0.296 -2.427 1.00 0.00 O ATOM 517 CB TRP A 320 0.995 -2.788 -3.792 1.00 0.00 C ATOM 518 CG TRP A 320 1.257 -3.352 -2.425 1.00 0.00 C ATOM 519 CD1 TRP A 320 1.295 -2.677 -1.243 1.00 0.00 C ATOM 520 CD2 TRP A 320 1.492 -4.727 -2.105 1.00 0.00 C ATOM 521 NE1 TRP A 320 1.551 -3.543 -0.212 1.00 0.00 N ATOM 522 CE2 TRP A 320 1.674 -4.807 -0.713 1.00 0.00 C ATOM 523 CE3 TRP A 320 1.571 -5.897 -2.863 1.00 0.00 C ATOM 524 CZ2 TRP A 320 1.926 -6.009 -0.062 1.00 0.00 C ATOM 525 CZ3 TRP A 320 1.822 -7.090 -2.216 1.00 0.00 C ATOM 526 CH2 TRP A 320 1.995 -7.138 -0.827 1.00 0.00 C ATOM 0 H TRP A 320 3.218 -1.852 -2.789 1.00 0.00 H new ATOM 0 HA TRP A 320 1.601 -1.250 -5.136 1.00 0.00 H new ATOM 0 HB2 TRP A 320 -0.083 -2.727 -3.942 1.00 0.00 H new ATOM 0 HB3 TRP A 320 1.382 -3.485 -4.535 1.00 0.00 H new ATOM 0 HD1 TRP A 320 1.145 -1.613 -1.134 1.00 0.00 H new ATOM 0 HE1 TRP A 320 1.636 -3.285 0.771 1.00 0.00 H new ATOM 0 HE3 TRP A 320 1.438 -5.869 -3.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 320 2.062 -6.049 1.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 320 1.886 -8.002 -2.791 1.00 0.00 H new ATOM 0 HH2 TRP A 320 2.187 -8.088 -0.351 1.00 0.00 H new ATOM 532 N LYS A 321 -0.360 -0.014 -4.079 1.00 0.00 N ATOM 533 CA LYS A 321 -1.247 1.045 -3.646 1.00 0.00 C ATOM 534 C LYS A 321 -2.218 0.551 -2.577 1.00 0.00 C ATOM 535 O LYS A 321 -2.900 -0.465 -2.760 1.00 0.00 O ATOM 536 CB LYS A 321 -2.016 1.598 -4.848 1.00 0.00 C ATOM 537 CG LYS A 321 -2.889 2.800 -4.533 1.00 0.00 C ATOM 538 CD LYS A 321 -3.596 3.320 -5.777 1.00 0.00 C ATOM 539 CE LYS A 321 -4.630 2.333 -6.295 1.00 0.00 C ATOM 540 NZ LYS A 321 -5.313 2.837 -7.511 1.00 0.00 N ATOM 0 H LYS A 321 -0.682 -0.515 -4.907 1.00 0.00 H new ATOM 0 HA LYS A 321 -0.645 1.840 -3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -1.303 1.875 -5.624 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -2.643 0.806 -5.259 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -3.629 2.526 -3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -2.277 3.593 -4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -4.082 4.269 -5.549 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -2.860 3.518 -6.557 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -4.145 1.383 -6.518 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -5.369 2.139 -5.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -6.010 2.136 -7.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -5.797 3.731 -7.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -4.611 2.998 -8.262 1.00 0.00 H new ATOM 543 N GLY A 322 -2.269 1.268 -1.471 1.00 0.00 N ATOM 544 CA GLY A 322 -3.161 0.920 -0.397 1.00 0.00 C ATOM 545 C GLY A 322 -4.046 2.080 0.002 1.00 0.00 C ATOM 546 O GLY A 322 -3.684 3.250 -0.195 1.00 0.00 O ATOM 0 H GLY A 322 -1.699 2.096 -1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 322 -3.782 0.077 -0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 322 -2.580 0.594 0.466 1.00 0.00 H new ATOM 550 N HIS A 323 -5.200 1.762 0.556 1.00 0.00 N ATOM 551 CA HIS A 323 -6.159 2.765 0.989 1.00 0.00 C ATOM 552 C HIS A 323 -6.409 2.636 2.486 1.00 0.00 C ATOM 553 O HIS A 323 -6.497 1.533 3.013 1.00 0.00 O ATOM 554 CB HIS A 323 -7.481 2.601 0.216 1.00 0.00 C ATOM 555 CG HIS A 323 -8.552 3.598 0.582 1.00 0.00 C ATOM 556 ND1 HIS A 323 -9.683 3.262 1.293 1.00 0.00 N ATOM 557 CD2 HIS A 323 -8.660 4.923 0.321 1.00 0.00 C ATOM 558 CE1 HIS A 323 -10.438 4.331 1.452 1.00 0.00 C ATOM 559 NE2 HIS A 323 -9.840 5.352 0.874 1.00 0.00 N ATOM 0 H HIS A 323 -5.501 0.801 0.720 1.00 0.00 H new ATOM 0 HA HIS A 323 -5.751 3.755 0.783 1.00 0.00 H new ATOM 0 HB2 HIS A 323 -7.275 2.685 -0.851 1.00 0.00 H new ATOM 0 HB3 HIS A 323 -7.865 1.596 0.389 1.00 0.00 H new ATOM 0 HD2 HIS A 323 -7.949 5.529 -0.221 1.00 0.00 H new ATOM 0 HE1 HIS A 323 -11.386 4.364 1.969 1.00 0.00 H new ATOM 0 HE2 HIS A 323 -10.196 6.307 0.843 1.00 0.00 H new ATOM 564 N ILE A 324 -6.507 3.757 3.166 1.00 0.00 N ATOM 565 CA ILE A 324 -6.776 3.753 4.594 1.00 0.00 C ATOM 566 C ILE A 324 -8.209 4.206 4.844 1.00 0.00 C ATOM 567 O ILE A 324 -8.691 5.130 4.194 1.00 0.00 O ATOM 568 CB ILE A 324 -5.796 4.677 5.353 1.00 0.00 C ATOM 569 CG1 ILE A 324 -4.357 4.363 4.937 1.00 0.00 C ATOM 570 CG2 ILE A 324 -5.960 4.510 6.862 1.00 0.00 C ATOM 571 CD1 ILE A 324 -3.329 5.263 5.574 1.00 0.00 C ATOM 0 H ILE A 324 -6.405 4.685 2.756 1.00 0.00 H new ATOM 0 HA ILE A 324 -6.638 2.737 4.965 1.00 0.00 H new ATOM 0 HB ILE A 324 -6.022 5.712 5.097 1.00 0.00 H new ATOM 0 HG12 ILE A 324 -4.131 3.329 5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 324 -4.276 4.445 3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 324 -5.262 5.168 7.379 1.00 0.00 H new ATOM 0 HG22 ILE A 324 -6.980 4.767 7.148 1.00 0.00 H new ATOM 0 HG23 ILE A 324 -5.755 3.476 7.138 1.00 0.00 H new ATOM 0 HD11 ILE A 324 -2.334 4.979 5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 324 -3.528 6.298 5.294 1.00 0.00 H new ATOM 0 HD13 ILE A 324 -3.381 5.164 6.658 1.00 0.00 H new ATOM 582 N HIS A 325 -8.888 3.552 5.776 1.00 0.00 N ATOM 583 CA HIS A 325 -10.290 3.864 6.076 1.00 0.00 C ATOM 584 C HIS A 325 -10.393 4.928 7.188 1.00 0.00 C ATOM 585 O HIS A 325 -11.429 5.072 7.838 1.00 0.00 O ATOM 586 CB HIS A 325 -11.035 2.577 6.478 1.00 0.00 C ATOM 587 CG HIS A 325 -12.537 2.709 6.515 1.00 0.00 C ATOM 588 ND1 HIS A 325 -13.290 2.460 7.642 1.00 0.00 N ATOM 589 CD2 HIS A 325 -13.419 3.061 5.551 1.00 0.00 C ATOM 590 CE1 HIS A 325 -14.564 2.653 7.371 1.00 0.00 C ATOM 591 NE2 HIS A 325 -14.670 3.018 6.113 1.00 0.00 N ATOM 0 H HIS A 325 -8.495 2.800 6.342 1.00 0.00 H new ATOM 0 HA HIS A 325 -10.756 4.276 5.181 1.00 0.00 H new ATOM 0 HB2 HIS A 325 -10.770 1.785 5.778 1.00 0.00 H new ATOM 0 HB3 HIS A 325 -10.686 2.263 7.462 1.00 0.00 H new ATOM 0 HD2 HIS A 325 -13.183 3.326 4.531 1.00 0.00 H new ATOM 0 HE1 HIS A 325 -15.383 2.532 8.065 1.00 0.00 H new ATOM 0 HE2 HIS A 325 -15.543 3.235 5.631 1.00 0.00 H new ATOM 678 N ARG A 333 -6.613 9.139 1.115 1.00 0.00 N ATOM 679 CA ARG A 333 -5.692 8.196 1.722 1.00 0.00 C ATOM 680 C ARG A 333 -5.337 7.079 0.758 1.00 0.00 C ATOM 681 O ARG A 333 -5.758 5.929 0.927 1.00 0.00 O ATOM 682 CB ARG A 333 -6.276 7.621 3.025 1.00 0.00 C ATOM 683 CG ARG A 333 -6.270 8.587 4.220 1.00 0.00 C ATOM 684 CD ARG A 333 -7.108 9.842 3.970 1.00 0.00 C ATOM 685 NE ARG A 333 -8.491 9.525 3.583 1.00 0.00 N ATOM 686 CZ ARG A 333 -9.397 10.429 3.195 1.00 0.00 C ATOM 687 NH1 ARG A 333 -9.103 11.724 3.226 1.00 0.00 N ATOM 688 NH2 ARG A 333 -10.602 10.035 2.804 1.00 0.00 N ATOM 0 HA ARG A 333 -4.777 8.736 1.965 1.00 0.00 H new ATOM 0 HB2 ARG A 333 -7.302 7.305 2.837 1.00 0.00 H new ATOM 0 HB3 ARG A 333 -5.712 6.728 3.296 1.00 0.00 H new ATOM 0 HG2 ARG A 333 -6.651 8.071 5.101 1.00 0.00 H new ATOM 0 HG3 ARG A 333 -5.243 8.879 4.441 1.00 0.00 H new ATOM 0 HD2 ARG A 333 -7.117 10.455 4.871 1.00 0.00 H new ATOM 0 HD3 ARG A 333 -6.641 10.437 3.185 1.00 0.00 H new ATOM 0 HE ARG A 333 -8.779 8.547 3.613 1.00 0.00 H new ATOM 0 HH11 ARG A 333 -8.184 12.031 3.546 1.00 0.00 H new ATOM 0 HH12 ARG A 333 -9.796 12.411 2.930 1.00 0.00 H new ATOM 0 HH21 ARG A 333 -10.837 9.043 2.799 1.00 0.00 H new ATOM 0 HH22 ARG A 333 -11.293 10.725 2.508 1.00 0.00 H new ATOM 691 N ILE A 334 -4.592 7.436 -0.259 1.00 0.00 N ATOM 692 CA ILE A 334 -4.137 6.511 -1.267 1.00 0.00 C ATOM 693 C ILE A 334 -2.639 6.641 -1.425 1.00 0.00 C ATOM 694 O ILE A 334 -2.145 7.658 -1.890 1.00 0.00 O ATOM 695 CB ILE A 334 -4.835 6.786 -2.628 1.00 0.00 C ATOM 696 CG1 ILE A 334 -6.298 6.344 -2.580 1.00 0.00 C ATOM 697 CG2 ILE A 334 -4.106 6.099 -3.773 1.00 0.00 C ATOM 698 CD1 ILE A 334 -6.479 4.843 -2.458 1.00 0.00 C ATOM 0 H ILE A 334 -4.279 8.395 -0.412 1.00 0.00 H new ATOM 0 HA ILE A 334 -4.390 5.499 -0.952 1.00 0.00 H new ATOM 0 HB ILE A 334 -4.802 7.860 -2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 334 -6.787 6.830 -1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 334 -6.802 6.689 -3.482 1.00 0.00 H new ATOM 0 HG21 ILE A 334 -4.620 6.311 -4.711 1.00 0.00 H new ATOM 0 HG22 ILE A 334 -3.083 6.470 -3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 334 -4.093 5.023 -3.602 1.00 0.00 H new ATOM 0 HD11 ILE A 334 -7.543 4.606 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 334 -6.020 4.350 -3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 334 -6.005 4.493 -1.541 1.00 0.00 H new ATOM 709 N GLY A 335 -1.916 5.626 -1.024 1.00 0.00 N ATOM 710 CA GLY A 335 -0.485 5.689 -1.119 1.00 0.00 C ATOM 711 C GLY A 335 0.127 4.365 -1.458 1.00 0.00 C ATOM 712 O GLY A 335 -0.489 3.322 -1.260 1.00 0.00 O ATOM 0 H GLY A 335 -2.290 4.760 -0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -0.207 6.419 -1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -0.077 6.042 -0.172 1.00 0.00 H new ATOM 716 N TYR A 336 1.330 4.406 -1.972 1.00 0.00 N ATOM 717 CA TYR A 336 2.054 3.206 -2.331 1.00 0.00 C ATOM 718 C TYR A 336 3.120 2.922 -1.296 1.00 0.00 C ATOM 719 O TYR A 336 3.801 3.838 -0.831 1.00 0.00 O ATOM 720 CB TYR A 336 2.666 3.336 -3.735 1.00 0.00 C ATOM 721 CG TYR A 336 3.224 4.711 -4.046 1.00 0.00 C ATOM 722 CD1 TYR A 336 4.493 5.087 -3.624 1.00 0.00 C ATOM 723 CD2 TYR A 336 2.475 5.630 -4.764 1.00 0.00 C ATOM 724 CE1 TYR A 336 4.993 6.341 -3.909 1.00 0.00 C ATOM 725 CE2 TYR A 336 2.970 6.882 -5.055 1.00 0.00 C ATOM 726 CZ TYR A 336 4.226 7.234 -4.627 1.00 0.00 C ATOM 727 OH TYR A 336 4.721 8.485 -4.918 1.00 0.00 O ATOM 0 H TYR A 336 1.838 5.271 -2.155 1.00 0.00 H new ATOM 0 HA TYR A 336 1.358 2.367 -2.353 1.00 0.00 H new ATOM 0 HB2 TYR A 336 3.463 2.600 -3.841 1.00 0.00 H new ATOM 0 HB3 TYR A 336 1.905 3.090 -4.475 1.00 0.00 H new ATOM 0 HD1 TYR A 336 5.097 4.388 -3.065 1.00 0.00 H new ATOM 0 HD2 TYR A 336 1.485 5.360 -5.101 1.00 0.00 H new ATOM 0 HE1 TYR A 336 5.980 6.622 -3.572 1.00 0.00 H new ATOM 0 HE2 TYR A 336 2.372 7.584 -5.618 1.00 0.00 H new ATOM 0 HH TYR A 336 4.000 9.146 -4.851 1.00 0.00 H new ATOM 733 N PHE A 337 3.259 1.670 -0.926 1.00 0.00 N ATOM 734 CA PHE A 337 4.204 1.296 0.106 1.00 0.00 C ATOM 735 C PHE A 337 4.777 -0.094 -0.146 1.00 0.00 C ATOM 736 O PHE A 337 4.157 -0.917 -0.836 1.00 0.00 O ATOM 737 CB PHE A 337 3.515 1.344 1.481 1.00 0.00 C ATOM 738 CG PHE A 337 2.397 0.342 1.647 1.00 0.00 C ATOM 739 CD1 PHE A 337 1.173 0.532 1.020 1.00 0.00 C ATOM 740 CD2 PHE A 337 2.570 -0.781 2.435 1.00 0.00 C ATOM 741 CE1 PHE A 337 0.151 -0.378 1.177 1.00 0.00 C ATOM 742 CE2 PHE A 337 1.549 -1.696 2.592 1.00 0.00 C ATOM 743 CZ PHE A 337 0.338 -1.493 1.965 1.00 0.00 C ATOM 0 H PHE A 337 2.731 0.892 -1.322 1.00 0.00 H new ATOM 0 HA PHE A 337 5.031 2.006 0.088 1.00 0.00 H new ATOM 0 HB2 PHE A 337 4.262 1.170 2.256 1.00 0.00 H new ATOM 0 HB3 PHE A 337 3.117 2.346 1.641 1.00 0.00 H new ATOM 0 HD1 PHE A 337 1.020 1.404 0.402 1.00 0.00 H new ATOM 0 HD2 PHE A 337 3.514 -0.944 2.933 1.00 0.00 H new ATOM 0 HE1 PHE A 337 -0.796 -0.218 0.683 1.00 0.00 H new ATOM 0 HE2 PHE A 337 1.699 -2.572 3.206 1.00 0.00 H new ATOM 0 HZ PHE A 337 -0.463 -2.207 2.091 1.00 0.00 H new ATOM 749 N PRO A 338 5.982 -0.366 0.382 1.00 0.00 N ATOM 750 CA PRO A 338 6.606 -1.669 0.270 1.00 0.00 C ATOM 751 C PRO A 338 6.106 -2.626 1.365 1.00 0.00 C ATOM 752 O PRO A 338 6.028 -2.255 2.547 1.00 0.00 O ATOM 753 CB PRO A 338 8.089 -1.359 0.463 1.00 0.00 C ATOM 754 CG PRO A 338 8.116 -0.174 1.369 1.00 0.00 C ATOM 755 CD PRO A 338 6.839 0.597 1.111 1.00 0.00 C ATOM 0 HA PRO A 338 6.384 -2.164 -0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 338 8.616 -2.206 0.903 1.00 0.00 H new ATOM 0 HB3 PRO A 338 8.575 -1.141 -0.488 1.00 0.00 H new ATOM 0 HG2 PRO A 338 8.177 -0.485 2.412 1.00 0.00 H new ATOM 0 HG3 PRO A 338 8.990 0.446 1.170 1.00 0.00 H new ATOM 0 HD2 PRO A 338 6.373 0.921 2.042 1.00 0.00 H new ATOM 0 HD3 PRO A 338 7.026 1.493 0.519 1.00 0.00 H new ATOM 763 N PRO A 339 5.771 -3.873 0.989 1.00 0.00 N ATOM 764 CA PRO A 339 5.257 -4.890 1.928 1.00 0.00 C ATOM 765 C PRO A 339 6.184 -5.127 3.131 1.00 0.00 C ATOM 766 O PRO A 339 5.751 -5.622 4.167 1.00 0.00 O ATOM 767 CB PRO A 339 5.165 -6.167 1.070 1.00 0.00 C ATOM 768 CG PRO A 339 5.953 -5.871 -0.164 1.00 0.00 C ATOM 769 CD PRO A 339 5.846 -4.394 -0.381 1.00 0.00 C ATOM 0 HA PRO A 339 4.308 -4.577 2.364 1.00 0.00 H new ATOM 0 HB2 PRO A 339 5.573 -7.027 1.600 1.00 0.00 H new ATOM 0 HB3 PRO A 339 4.129 -6.404 0.828 1.00 0.00 H new ATOM 0 HG2 PRO A 339 6.993 -6.173 -0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 339 5.559 -6.420 -1.019 1.00 0.00 H new ATOM 0 HD2 PRO A 339 6.709 -4.000 -0.918 1.00 0.00 H new ATOM 0 HD3 PRO A 339 4.962 -4.133 -0.963 1.00 0.00 H new ATOM 777 N GLY A 340 7.446 -4.744 2.987 1.00 0.00 N ATOM 778 CA GLY A 340 8.426 -4.953 4.037 1.00 0.00 C ATOM 779 C GLY A 340 8.100 -4.248 5.346 1.00 0.00 C ATOM 780 O GLY A 340 8.617 -4.630 6.394 1.00 0.00 O ATOM 0 H GLY A 340 7.812 -4.287 2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 340 8.516 -6.023 4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 340 9.398 -4.609 3.685 1.00 0.00 H new ATOM 784 N ILE A 341 7.249 -3.229 5.301 1.00 0.00 N ATOM 785 CA ILE A 341 6.916 -2.492 6.518 1.00 0.00 C ATOM 786 C ILE A 341 5.567 -2.919 7.104 1.00 0.00 C ATOM 787 O ILE A 341 5.103 -2.342 8.089 1.00 0.00 O ATOM 788 CB ILE A 341 6.909 -0.959 6.288 1.00 0.00 C ATOM 789 CG1 ILE A 341 5.831 -0.563 5.274 1.00 0.00 C ATOM 790 CG2 ILE A 341 8.281 -0.484 5.826 1.00 0.00 C ATOM 791 CD1 ILE A 341 5.690 0.932 5.087 1.00 0.00 C ATOM 0 H ILE A 341 6.785 -2.898 4.455 1.00 0.00 H new ATOM 0 HA ILE A 341 7.701 -2.738 7.233 1.00 0.00 H new ATOM 0 HB ILE A 341 6.675 -0.473 7.235 1.00 0.00 H new ATOM 0 HG12 ILE A 341 6.064 -1.020 4.312 1.00 0.00 H new ATOM 0 HG13 ILE A 341 4.873 -0.972 5.597 1.00 0.00 H new ATOM 0 HG21 ILE A 341 8.259 0.594 5.669 1.00 0.00 H new ATOM 0 HG22 ILE A 341 9.024 -0.725 6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 341 8.543 -0.981 4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 341 4.908 1.135 4.355 1.00 0.00 H new ATOM 0 HD12 ILE A 341 5.425 1.394 6.038 1.00 0.00 H new ATOM 0 HD13 ILE A 341 6.635 1.345 4.733 1.00 0.00 H new ATOM 802 N VAL A 342 4.947 -3.933 6.514 1.00 0.00 N ATOM 803 CA VAL A 342 3.640 -4.389 6.981 1.00 0.00 C ATOM 804 C VAL A 342 3.595 -5.903 7.129 1.00 0.00 C ATOM 805 O VAL A 342 4.454 -6.619 6.611 1.00 0.00 O ATOM 806 CB VAL A 342 2.494 -3.960 6.022 1.00 0.00 C ATOM 807 CG1 VAL A 342 2.431 -2.449 5.879 1.00 0.00 C ATOM 808 CG2 VAL A 342 2.652 -4.621 4.661 1.00 0.00 C ATOM 0 H VAL A 342 5.321 -4.452 5.720 1.00 0.00 H new ATOM 0 HA VAL A 342 3.492 -3.918 7.953 1.00 0.00 H new ATOM 0 HB VAL A 342 1.553 -4.294 6.460 1.00 0.00 H new ATOM 0 HG11 VAL A 342 1.620 -2.181 5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 342 2.253 -1.998 6.855 1.00 0.00 H new ATOM 0 HG13 VAL A 342 3.375 -2.082 5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 342 1.839 -4.306 4.007 1.00 0.00 H new ATOM 0 HG22 VAL A 342 3.605 -4.327 4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 342 2.625 -5.704 4.777 1.00 0.00 H new ATOM 818 N GLU A 343 2.592 -6.378 7.840 1.00 0.00 N ATOM 819 CA GLU A 343 2.359 -7.798 7.997 1.00 0.00 C ATOM 820 C GLU A 343 0.874 -8.063 7.800 1.00 0.00 C ATOM 821 O GLU A 343 0.043 -7.201 8.099 1.00 0.00 O ATOM 822 CB GLU A 343 2.810 -8.283 9.381 1.00 0.00 C ATOM 823 CG GLU A 343 3.524 -9.636 9.370 1.00 0.00 C ATOM 824 CD GLU A 343 2.741 -10.713 8.652 1.00 0.00 C ATOM 825 OE1 GLU A 343 1.720 -11.175 9.196 1.00 0.00 O ATOM 826 OE2 GLU A 343 3.128 -11.087 7.527 1.00 0.00 O ATOM 0 H GLU A 343 1.915 -5.789 8.325 1.00 0.00 H new ATOM 0 HA GLU A 343 2.941 -8.346 7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 343 3.476 -7.537 9.816 1.00 0.00 H new ATOM 0 HB3 GLU A 343 1.938 -8.350 10.032 1.00 0.00 H new ATOM 0 HG2 GLU A 343 4.497 -9.523 8.892 1.00 0.00 H new ATOM 0 HG3 GLU A 343 3.708 -9.952 10.397 1.00 0.00 H new ATOM 829 N VAL A 344 0.544 -9.236 7.299 1.00 0.00 N ATOM 830 CA VAL A 344 -0.834 -9.575 7.007 1.00 0.00 C ATOM 831 C VAL A 344 -1.641 -9.933 8.262 1.00 0.00 C ATOM 832 O VAL A 344 -2.831 -9.631 8.332 1.00 0.00 O ATOM 833 CB VAL A 344 -0.940 -10.720 5.962 1.00 0.00 C ATOM 834 CG1 VAL A 344 -0.368 -10.278 4.622 1.00 0.00 C ATOM 835 CG2 VAL A 344 -0.233 -11.976 6.449 1.00 0.00 C ATOM 0 H VAL A 344 1.215 -9.974 7.085 1.00 0.00 H new ATOM 0 HA VAL A 344 -1.272 -8.672 6.582 1.00 0.00 H new ATOM 0 HB VAL A 344 -1.996 -10.954 5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 344 -0.452 -11.094 3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 344 -0.923 -9.414 4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 344 0.681 -10.009 4.745 1.00 0.00 H new ATOM 0 HG21 VAL A 344 -0.324 -12.760 5.697 1.00 0.00 H new ATOM 0 HG22 VAL A 344 0.821 -11.757 6.619 1.00 0.00 H new ATOM 0 HG23 VAL A 344 -0.689 -12.312 7.380 1.00 0.00 H new ATOM 845 N VAL A 345 -1.004 -10.558 9.261 1.00 0.00 N ATOM 846 CA VAL A 345 -1.747 -10.963 10.462 1.00 0.00 C ATOM 847 C VAL A 345 -0.845 -11.168 11.700 1.00 0.00 C ATOM 848 O VAL A 345 -1.321 -11.105 12.836 1.00 0.00 O ATOM 849 CB VAL A 345 -2.582 -12.252 10.197 1.00 0.00 C ATOM 850 CG1 VAL A 345 -1.683 -13.449 9.938 1.00 0.00 C ATOM 851 CG2 VAL A 345 -3.541 -12.530 11.346 1.00 0.00 C ATOM 0 H VAL A 345 -0.010 -10.788 9.265 1.00 0.00 H new ATOM 0 HA VAL A 345 -2.418 -10.134 10.688 1.00 0.00 H new ATOM 0 HB VAL A 345 -3.175 -12.081 9.298 1.00 0.00 H new ATOM 0 HG11 VAL A 345 -2.296 -14.332 9.757 1.00 0.00 H new ATOM 0 HG12 VAL A 345 -1.060 -13.254 9.065 1.00 0.00 H new ATOM 0 HG13 VAL A 345 -1.047 -13.621 10.806 1.00 0.00 H new ATOM 0 HG21 VAL A 345 -4.110 -13.435 11.134 1.00 0.00 H new ATOM 0 HG22 VAL A 345 -2.975 -12.665 12.268 1.00 0.00 H new ATOM 0 HG23 VAL A 345 -4.225 -11.689 11.460 1.00 0.00 H new ATOM 861 N SER A 346 0.445 -11.381 11.491 1.00 0.00 N ATOM 862 CA SER A 346 1.362 -11.624 12.608 1.00 0.00 C ATOM 863 C SER A 346 1.781 -10.322 13.300 1.00 0.00 C ATOM 864 O SER A 346 2.729 -10.301 14.085 1.00 0.00 O ATOM 865 CB SER A 346 2.594 -12.399 12.137 1.00 0.00 C ATOM 866 OG SER A 346 2.232 -13.699 11.692 1.00 0.00 O ATOM 0 H SER A 346 0.883 -11.392 10.570 1.00 0.00 H new ATOM 0 HA SER A 346 0.825 -12.227 13.341 1.00 0.00 H new ATOM 0 HB2 SER A 346 3.084 -11.856 11.329 1.00 0.00 H new ATOM 0 HB3 SER A 346 3.314 -12.476 12.951 1.00 0.00 H new ATOM 0 HG SER A 346 3.033 -14.178 11.393 1.00 0.00 H new ATOM 872 N LYS A 347 1.064 -9.253 13.027 1.00 0.00 N ATOM 873 CA LYS A 347 1.346 -7.978 13.643 1.00 0.00 C ATOM 874 C LYS A 347 0.573 -7.874 14.956 1.00 0.00 C ATOM 875 O LYS A 347 -0.640 -8.090 14.989 1.00 0.00 O ATOM 876 CB LYS A 347 0.951 -6.825 12.689 1.00 0.00 C ATOM 877 CG LYS A 347 1.615 -5.472 12.996 1.00 0.00 C ATOM 878 CD LYS A 347 1.115 -4.857 14.295 1.00 0.00 C ATOM 879 CE LYS A 347 1.947 -3.652 14.704 1.00 0.00 C ATOM 880 NZ LYS A 347 1.573 -3.152 16.054 1.00 0.00 N ATOM 0 H LYS A 347 0.277 -9.244 12.378 1.00 0.00 H new ATOM 0 HA LYS A 347 2.414 -7.900 13.848 1.00 0.00 H new ATOM 0 HB2 LYS A 347 1.205 -7.114 11.669 1.00 0.00 H new ATOM 0 HB3 LYS A 347 -0.131 -6.698 12.725 1.00 0.00 H new ATOM 0 HG2 LYS A 347 2.695 -5.606 13.054 1.00 0.00 H new ATOM 0 HG3 LYS A 347 1.423 -4.782 12.174 1.00 0.00 H new ATOM 0 HD2 LYS A 347 0.073 -4.557 14.178 1.00 0.00 H new ATOM 0 HD3 LYS A 347 1.145 -5.605 15.087 1.00 0.00 H new ATOM 0 HE2 LYS A 347 3.003 -3.921 14.696 1.00 0.00 H new ATOM 0 HE3 LYS A 347 1.815 -2.855 13.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 2.197 -2.363 16.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 0.586 -2.824 16.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 1.674 -3.919 16.749 1.00 0.00 H new ATOM 883 N ARG A 348 1.273 -7.563 16.027 1.00 0.00 N ATOM 884 CA ARG A 348 0.642 -7.384 17.321 1.00 0.00 C ATOM 885 C ARG A 348 0.527 -5.904 17.633 1.00 0.00 C ATOM 886 O ARG A 348 1.580 -5.239 17.741 1.00 0.00 O ATOM 887 CB ARG A 348 1.423 -8.098 18.424 1.00 0.00 C ATOM 888 CG ARG A 348 0.884 -7.829 19.822 1.00 0.00 C ATOM 889 CD ARG A 348 1.695 -8.550 20.883 1.00 0.00 C ATOM 890 NE ARG A 348 1.470 -9.991 20.854 1.00 0.00 N ATOM 891 CZ ARG A 348 2.337 -10.902 21.294 1.00 0.00 C ATOM 892 NH1 ARG A 348 3.513 -10.527 21.788 1.00 0.00 N ATOM 893 NH2 ARG A 348 2.025 -12.186 21.243 1.00 0.00 N ATOM 894 OXT ARG A 348 -0.607 -5.405 17.749 1.00 0.00 O ATOM 0 H ARG A 348 2.284 -7.428 16.028 1.00 0.00 H new ATOM 0 HA ARG A 348 -0.354 -7.825 17.281 1.00 0.00 H new ATOM 0 HB2 ARG A 348 1.403 -9.171 18.236 1.00 0.00 H new ATOM 0 HB3 ARG A 348 2.466 -7.786 18.379 1.00 0.00 H new ATOM 0 HG2 ARG A 348 0.899 -6.757 20.018 1.00 0.00 H new ATOM 0 HG3 ARG A 348 -0.156 -8.149 19.879 1.00 0.00 H new ATOM 0 HD2 ARG A 348 2.755 -8.345 20.732 1.00 0.00 H new ATOM 0 HD3 ARG A 348 1.433 -8.161 21.867 1.00 0.00 H new ATOM 0 HE ARG A 348 0.586 -10.325 20.470 1.00 0.00 H new ATOM 0 HH11 ARG A 348 3.756 -9.537 21.832 1.00 0.00 H new ATOM 0 HH12 ARG A 348 4.173 -11.229 22.123 1.00 0.00 H new ATOM 0 HH21 ARG A 348 1.122 -12.477 20.867 1.00 0.00 H new ATOM 0 HH22 ARG A 348 2.687 -12.885 21.579 1.00 0.00 H new