USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=13 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 329 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 355 LYS NZ :NH3+ 144:sc= -0.0322 (180deg=-0.28) USER MOD Set 2.1: A 354 THR OG1 : rot 148:sc= -0.99 USER MOD Set 2.2: A 358 ASN : amide:sc= -0.215 K(o=-1.2,f=-3.2) USER MOD Set 3.1: A 338 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 361 TYR OH : rot 180:sc= 0 USER MOD Single : A 315 TYR OH : rot 180:sc= 0 USER MOD Single : A 321 ASN : amide:sc= -0.382 X(o=-0.38,f=0) USER MOD Single : A 324 MET CE :methyl -168:sc= 0 (180deg=-0.159) USER MOD Single : A 330 LYS NZ :NH3+ -118:sc= 0.29 (180deg=0) USER MOD Single : A 334 MET CE :methyl -177:sc= -4.18 (180deg=-4.25) USER MOD Single : A 339 LYS NZ :NH3+ 160:sc= -0.038 (180deg=-0.316) 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+ -179:sc= -2.68! (180deg=-2.91!) USER MOD Single : A 356 ASN : amide:sc=-0.00568 X(o=-0.0057,f=-0.0058) USER MOD Single : A 364 TYR OH : rot 180:sc= 0 USER MOD Single : A 365 ASN : amide:sc= -0.268 X(o=-0.27,f=0) USER MOD Single : A 366 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 310 5.919 12.906 -3.472 1.00 0.00 N ATOM 2 CA PHE A 310 5.037 11.931 -2.844 1.00 0.00 C ATOM 3 C PHE A 310 5.657 11.395 -1.557 1.00 0.00 C ATOM 4 O PHE A 310 5.493 11.979 -0.471 1.00 0.00 O ATOM 5 CB PHE A 310 4.722 10.794 -3.807 1.00 0.00 C ATOM 6 CG PHE A 310 3.612 11.078 -4.715 1.00 0.00 C ATOM 7 CD1 PHE A 310 3.841 11.707 -5.909 1.00 0.00 C ATOM 8 CD2 PHE A 310 2.344 10.688 -4.382 1.00 0.00 C ATOM 9 CE1 PHE A 310 2.812 11.951 -6.768 1.00 0.00 C ATOM 10 CE2 PHE A 310 1.306 10.922 -5.230 1.00 0.00 C ATOM 11 CZ PHE A 310 1.529 11.558 -6.436 1.00 0.00 C ATOM 0 HA PHE A 310 4.102 12.429 -2.589 1.00 0.00 H new ATOM 0 HB2 PHE A 310 5.612 10.572 -4.395 1.00 0.00 H new ATOM 0 HB3 PHE A 310 4.488 9.898 -3.232 1.00 0.00 H new ATOM 0 HD1 PHE A 310 4.843 12.012 -6.172 1.00 0.00 H new ATOM 0 HD2 PHE A 310 2.166 10.191 -3.440 1.00 0.00 H new ATOM 0 HE1 PHE A 310 2.998 12.451 -7.707 1.00 0.00 H new ATOM 0 HE2 PHE A 310 0.308 10.611 -4.960 1.00 0.00 H new ATOM 0 HZ PHE A 310 0.709 11.746 -7.113 1.00 0.00 H new ATOM 21 N ALA A 311 6.384 10.299 -1.634 1.00 0.00 N ATOM 22 CA ALA A 311 6.975 9.803 -0.420 1.00 0.00 C ATOM 23 C ALA A 311 8.243 8.998 -0.648 1.00 0.00 C ATOM 24 O ALA A 311 8.557 8.581 -1.761 1.00 0.00 O ATOM 25 CB ALA A 311 5.972 8.958 0.347 1.00 0.00 C ATOM 0 H ALA A 311 6.571 9.761 -2.480 1.00 0.00 H new ATOM 0 HA ALA A 311 7.255 10.682 0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 311 6.433 8.589 1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 311 5.101 9.564 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 311 5.662 8.114 -0.268 1.00 0.00 H new ATOM 31 N ARG A 312 8.943 8.762 0.447 1.00 0.00 N ATOM 32 CA ARG A 312 10.151 7.975 0.441 1.00 0.00 C ATOM 33 C ARG A 312 9.970 6.801 1.376 1.00 0.00 C ATOM 34 O ARG A 312 9.045 6.781 2.183 1.00 0.00 O ATOM 35 CB ARG A 312 11.351 8.800 0.872 1.00 0.00 C ATOM 36 CG ARG A 312 12.660 8.103 0.587 1.00 0.00 C ATOM 37 CD ARG A 312 13.854 8.973 0.938 1.00 0.00 C ATOM 38 NE ARG A 312 13.489 10.131 1.754 1.00 0.00 N ATOM 39 CZ ARG A 312 14.269 10.637 2.704 1.00 0.00 C ATOM 40 NH1 ARG A 312 15.458 10.102 2.946 1.00 0.00 N ATOM 41 NH2 ARG A 312 13.863 11.687 3.407 1.00 0.00 N ATOM 0 H ARG A 312 8.683 9.115 1.368 1.00 0.00 H new ATOM 0 HA ARG A 312 10.339 7.625 -0.574 1.00 0.00 H new ATOM 0 HB2 ARG A 312 11.333 9.760 0.355 1.00 0.00 H new ATOM 0 HB3 ARG A 312 11.279 9.011 1.939 1.00 0.00 H new ATOM 0 HG2 ARG A 312 12.708 7.174 1.156 1.00 0.00 H new ATOM 0 HG3 ARG A 312 12.705 7.833 -0.468 1.00 0.00 H new ATOM 0 HD2 ARG A 312 14.590 8.374 1.474 1.00 0.00 H new ATOM 0 HD3 ARG A 312 14.330 9.316 0.020 1.00 0.00 H new ATOM 0 HE ARG A 312 12.586 10.575 1.585 1.00 0.00 H new ATOM 0 HH11 ARG A 312 15.776 9.300 2.402 1.00 0.00 H new ATOM 0 HH12 ARG A 312 16.054 10.493 3.676 1.00 0.00 H new ATOM 0 HH21 ARG A 312 12.952 12.106 3.218 1.00 0.00 H new ATOM 0 HH22 ARG A 312 14.462 12.075 4.136 1.00 0.00 H new ATOM 55 N ALA A 313 10.829 5.817 1.248 1.00 0.00 N ATOM 56 CA ALA A 313 10.732 4.623 2.080 1.00 0.00 C ATOM 57 C ALA A 313 11.764 4.603 3.204 1.00 0.00 C ATOM 58 O ALA A 313 12.947 4.355 2.966 1.00 0.00 O ATOM 59 CB ALA A 313 10.892 3.384 1.218 1.00 0.00 C ATOM 0 H ALA A 313 11.602 5.811 0.582 1.00 0.00 H new ATOM 0 HA ALA A 313 9.747 4.636 2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 313 10.819 2.494 1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 313 10.106 3.362 0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 313 11.866 3.405 0.728 1.00 0.00 H new ATOM 65 N LEU A 314 11.303 4.809 4.443 1.00 0.00 N ATOM 66 CA LEU A 314 12.194 4.752 5.593 1.00 0.00 C ATOM 67 C LEU A 314 11.981 3.435 6.317 1.00 0.00 C ATOM 68 O LEU A 314 10.874 3.113 6.730 1.00 0.00 O ATOM 69 CB LEU A 314 12.026 5.942 6.552 1.00 0.00 C ATOM 70 CG LEU A 314 10.958 5.822 7.647 1.00 0.00 C ATOM 71 CD1 LEU A 314 11.356 6.644 8.863 1.00 0.00 C ATOM 72 CD2 LEU A 314 9.609 6.283 7.135 1.00 0.00 C ATOM 0 H LEU A 314 10.329 5.014 4.667 1.00 0.00 H new ATOM 0 HA LEU A 314 13.218 4.817 5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 314 12.986 6.122 7.036 1.00 0.00 H new ATOM 0 HB3 LEU A 314 11.799 6.826 5.956 1.00 0.00 H new ATOM 0 HG LEU A 314 10.882 4.773 7.933 1.00 0.00 H new ATOM 0 HD11 LEU A 314 10.590 6.550 9.632 1.00 0.00 H new ATOM 0 HD12 LEU A 314 12.307 6.281 9.252 1.00 0.00 H new ATOM 0 HD13 LEU A 314 11.457 7.691 8.577 1.00 0.00 H new ATOM 0 HD21 LEU A 314 8.867 6.189 7.928 1.00 0.00 H new ATOM 0 HD22 LEU A 314 9.675 7.325 6.822 1.00 0.00 H new ATOM 0 HD23 LEU A 314 9.312 5.667 6.286 1.00 0.00 H new ATOM 84 N TYR A 315 13.050 2.670 6.432 1.00 0.00 N ATOM 85 CA TYR A 315 13.000 1.358 7.075 1.00 0.00 C ATOM 86 C TYR A 315 12.370 0.335 6.133 1.00 0.00 C ATOM 87 O TYR A 315 11.168 0.379 5.867 1.00 0.00 O ATOM 88 CB TYR A 315 12.221 1.415 8.393 1.00 0.00 C ATOM 89 CG TYR A 315 12.848 2.316 9.431 1.00 0.00 C ATOM 90 CD1 TYR A 315 12.861 3.700 9.274 1.00 0.00 C ATOM 91 CD2 TYR A 315 13.431 1.780 10.572 1.00 0.00 C ATOM 92 CE1 TYR A 315 13.438 4.516 10.228 1.00 0.00 C ATOM 93 CE2 TYR A 315 14.009 2.592 11.528 1.00 0.00 C ATOM 94 CZ TYR A 315 14.010 3.959 11.352 1.00 0.00 C ATOM 95 OH TYR A 315 14.586 4.770 12.303 1.00 0.00 O ATOM 0 H TYR A 315 13.974 2.932 6.087 1.00 0.00 H new ATOM 0 HA TYR A 315 14.022 1.053 7.301 1.00 0.00 H new ATOM 0 HB2 TYR A 315 11.207 1.760 8.191 1.00 0.00 H new ATOM 0 HB3 TYR A 315 12.140 0.407 8.801 1.00 0.00 H new ATOM 0 HD1 TYR A 315 12.414 4.141 8.395 1.00 0.00 H new ATOM 0 HD2 TYR A 315 13.432 0.709 10.714 1.00 0.00 H new ATOM 0 HE1 TYR A 315 13.441 5.588 10.094 1.00 0.00 H new ATOM 0 HE2 TYR A 315 14.458 2.158 12.409 1.00 0.00 H new ATOM 0 HH TYR A 315 14.942 4.219 13.031 1.00 0.00 H new ATOM 105 N ASP A 316 13.203 -0.570 5.627 1.00 0.00 N ATOM 106 CA ASP A 316 12.770 -1.615 4.698 1.00 0.00 C ATOM 107 C ASP A 316 11.407 -2.198 5.074 1.00 0.00 C ATOM 108 O ASP A 316 11.274 -2.853 6.108 1.00 0.00 O ATOM 109 CB ASP A 316 13.824 -2.732 4.672 1.00 0.00 C ATOM 110 CG ASP A 316 13.305 -4.033 4.089 1.00 0.00 C ATOM 111 OD1 ASP A 316 12.568 -4.752 4.795 1.00 0.00 O ATOM 112 OD2 ASP A 316 13.644 -4.337 2.925 1.00 0.00 O ATOM 0 H ASP A 316 14.198 -0.601 5.848 1.00 0.00 H new ATOM 0 HA ASP A 316 12.666 -1.164 3.711 1.00 0.00 H new ATOM 0 HB2 ASP A 316 14.683 -2.398 4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 316 14.178 -2.912 5.687 1.00 0.00 H new ATOM 117 N PHE A 317 10.394 -1.978 4.225 1.00 0.00 N ATOM 118 CA PHE A 317 9.074 -2.512 4.492 1.00 0.00 C ATOM 119 C PHE A 317 8.943 -3.918 3.894 1.00 0.00 C ATOM 120 O PHE A 317 9.786 -4.333 3.097 1.00 0.00 O ATOM 121 CB PHE A 317 7.974 -1.578 3.972 1.00 0.00 C ATOM 122 CG PHE A 317 6.584 -2.107 4.187 1.00 0.00 C ATOM 123 CD1 PHE A 317 6.062 -2.234 5.467 1.00 0.00 C ATOM 124 CD2 PHE A 317 5.806 -2.494 3.111 1.00 0.00 C ATOM 125 CE1 PHE A 317 4.792 -2.735 5.664 1.00 0.00 C ATOM 126 CE2 PHE A 317 4.531 -2.992 3.303 1.00 0.00 C ATOM 127 CZ PHE A 317 4.025 -3.114 4.580 1.00 0.00 C ATOM 0 H PHE A 317 10.472 -1.440 3.362 1.00 0.00 H new ATOM 0 HA PHE A 317 8.946 -2.584 5.572 1.00 0.00 H new ATOM 0 HB2 PHE A 317 8.066 -0.611 4.467 1.00 0.00 H new ATOM 0 HB3 PHE A 317 8.128 -1.407 2.907 1.00 0.00 H new ATOM 0 HD1 PHE A 317 6.657 -1.937 6.318 1.00 0.00 H new ATOM 0 HD2 PHE A 317 6.199 -2.406 2.109 1.00 0.00 H new ATOM 0 HE1 PHE A 317 4.398 -2.831 6.665 1.00 0.00 H new ATOM 0 HE2 PHE A 317 3.932 -3.285 2.454 1.00 0.00 H new ATOM 0 HZ PHE A 317 3.030 -3.505 4.732 1.00 0.00 H new ATOM 137 N VAL A 318 7.900 -4.655 4.288 1.00 0.00 N ATOM 138 CA VAL A 318 7.693 -6.014 3.803 1.00 0.00 C ATOM 139 C VAL A 318 6.201 -6.343 3.740 1.00 0.00 C ATOM 140 O VAL A 318 5.436 -5.916 4.604 1.00 0.00 O ATOM 141 CB VAL A 318 8.406 -7.034 4.727 1.00 0.00 C ATOM 142 CG1 VAL A 318 7.907 -8.452 4.488 1.00 0.00 C ATOM 143 CG2 VAL A 318 9.914 -6.960 4.539 1.00 0.00 C ATOM 0 H VAL A 318 7.188 -4.329 4.942 1.00 0.00 H new ATOM 0 HA VAL A 318 8.115 -6.081 2.800 1.00 0.00 H new ATOM 0 HB VAL A 318 8.167 -6.770 5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 318 8.430 -9.139 5.154 1.00 0.00 H new ATOM 0 HG12 VAL A 318 6.836 -8.499 4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 318 8.097 -8.735 3.453 1.00 0.00 H new ATOM 0 HG21 VAL A 318 10.398 -7.683 5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 318 10.163 -7.187 3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 318 10.262 -5.957 4.784 1.00 0.00 H new ATOM 153 N PRO A 319 5.769 -7.106 2.715 1.00 0.00 N ATOM 154 CA PRO A 319 4.368 -7.490 2.544 1.00 0.00 C ATOM 155 C PRO A 319 3.673 -7.814 3.860 1.00 0.00 C ATOM 156 O PRO A 319 3.778 -8.930 4.371 1.00 0.00 O ATOM 157 CB PRO A 319 4.467 -8.734 1.672 1.00 0.00 C ATOM 158 CG PRO A 319 5.656 -8.487 0.812 1.00 0.00 C ATOM 159 CD PRO A 319 6.614 -7.657 1.633 1.00 0.00 C ATOM 0 HA PRO A 319 3.773 -6.684 2.115 1.00 0.00 H new ATOM 0 HB2 PRO A 319 4.592 -9.633 2.275 1.00 0.00 H new ATOM 0 HB3 PRO A 319 3.566 -8.874 1.075 1.00 0.00 H new ATOM 0 HG2 PRO A 319 6.118 -9.427 0.510 1.00 0.00 H new ATOM 0 HG3 PRO A 319 5.372 -7.963 -0.101 1.00 0.00 H new ATOM 0 HD2 PRO A 319 7.428 -8.263 2.031 1.00 0.00 H new ATOM 0 HD3 PRO A 319 7.068 -6.865 1.038 1.00 0.00 H new ATOM 167 N GLU A 320 2.955 -6.831 4.400 1.00 0.00 N ATOM 168 CA GLU A 320 2.232 -7.012 5.650 1.00 0.00 C ATOM 169 C GLU A 320 1.291 -8.202 5.540 1.00 0.00 C ATOM 170 O GLU A 320 1.012 -8.882 6.528 1.00 0.00 O ATOM 171 CB GLU A 320 1.444 -5.749 5.999 1.00 0.00 C ATOM 172 CG GLU A 320 0.983 -5.700 7.447 1.00 0.00 C ATOM 173 CD GLU A 320 2.083 -5.268 8.395 1.00 0.00 C ATOM 174 OE1 GLU A 320 2.898 -4.404 8.006 1.00 0.00 O ATOM 175 OE2 GLU A 320 2.130 -5.794 9.527 1.00 0.00 O ATOM 0 H GLU A 320 2.861 -5.902 3.989 1.00 0.00 H new ATOM 0 HA GLU A 320 2.953 -7.202 6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 320 2.064 -4.876 5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 320 0.573 -5.682 5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 320 0.143 -5.011 7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 320 0.620 -6.684 7.742 1.00 0.00 H new ATOM 182 N ASN A 321 0.815 -8.456 4.323 1.00 0.00 N ATOM 183 CA ASN A 321 -0.081 -9.571 4.072 1.00 0.00 C ATOM 184 C ASN A 321 0.374 -10.334 2.834 1.00 0.00 C ATOM 185 O ASN A 321 0.667 -9.728 1.803 1.00 0.00 O ATOM 186 CB ASN A 321 -1.515 -9.071 3.884 1.00 0.00 C ATOM 187 CG ASN A 321 -2.508 -9.831 4.743 1.00 0.00 C ATOM 188 OD1 ASN A 321 -2.581 -9.626 5.954 1.00 0.00 O ATOM 189 ND2 ASN A 321 -3.278 -10.714 4.118 1.00 0.00 N ATOM 0 H ASN A 321 1.038 -7.901 3.497 1.00 0.00 H new ATOM 0 HA ASN A 321 -0.057 -10.241 4.932 1.00 0.00 H new ATOM 0 HB2 ASN A 321 -1.563 -8.010 4.130 1.00 0.00 H new ATOM 0 HB3 ASN A 321 -1.796 -9.168 2.835 1.00 0.00 H new ATOM 0 HD21 ASN A 321 -3.964 -11.255 4.644 1.00 0.00 H new ATOM 0 HD22 ASN A 321 -3.183 -10.851 3.112 1.00 0.00 H new ATOM 196 N PRO A 322 0.445 -11.674 2.913 1.00 0.00 N ATOM 197 CA PRO A 322 0.869 -12.503 1.783 1.00 0.00 C ATOM 198 C PRO A 322 -0.227 -12.625 0.734 1.00 0.00 C ATOM 199 O PRO A 322 -0.450 -13.694 0.166 1.00 0.00 O ATOM 200 CB PRO A 322 1.152 -13.858 2.430 1.00 0.00 C ATOM 201 CG PRO A 322 0.248 -13.906 3.613 1.00 0.00 C ATOM 202 CD PRO A 322 0.121 -12.487 4.104 1.00 0.00 C ATOM 0 HA PRO A 322 1.727 -12.086 1.256 1.00 0.00 H new ATOM 0 HB2 PRO A 322 0.947 -14.677 1.741 1.00 0.00 H new ATOM 0 HB3 PRO A 322 2.197 -13.945 2.726 1.00 0.00 H new ATOM 0 HG2 PRO A 322 -0.726 -14.313 3.342 1.00 0.00 H new ATOM 0 HG3 PRO A 322 0.658 -14.551 4.390 1.00 0.00 H new ATOM 0 HD2 PRO A 322 -0.884 -12.278 4.470 1.00 0.00 H new ATOM 0 HD3 PRO A 322 0.808 -12.285 4.926 1.00 0.00 H new ATOM 210 N GLU A 323 -0.906 -11.512 0.486 1.00 0.00 N ATOM 211 CA GLU A 323 -1.984 -11.464 -0.490 1.00 0.00 C ATOM 212 C GLU A 323 -1.883 -10.193 -1.319 1.00 0.00 C ATOM 213 O GLU A 323 -2.084 -10.215 -2.533 1.00 0.00 O ATOM 214 CB GLU A 323 -3.341 -11.531 0.218 1.00 0.00 C ATOM 215 CG GLU A 323 -4.489 -10.947 -0.593 1.00 0.00 C ATOM 216 CD GLU A 323 -5.815 -11.023 0.138 1.00 0.00 C ATOM 217 OE1 GLU A 323 -6.210 -12.140 0.535 1.00 0.00 O ATOM 218 OE2 GLU A 323 -6.458 -9.967 0.313 1.00 0.00 O ATOM 0 H GLU A 323 -0.726 -10.623 0.953 1.00 0.00 H new ATOM 0 HA GLU A 323 -1.895 -12.323 -1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 323 -3.567 -12.571 0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 323 -3.272 -10.999 1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 323 -4.269 -9.906 -0.831 1.00 0.00 H new ATOM 0 HG3 GLU A 323 -4.569 -11.481 -1.540 1.00 0.00 H new ATOM 225 N MET A 324 -1.574 -9.082 -0.656 1.00 0.00 N ATOM 226 CA MET A 324 -1.452 -7.807 -1.344 1.00 0.00 C ATOM 227 C MET A 324 -0.667 -6.791 -0.526 1.00 0.00 C ATOM 228 O MET A 324 -1.211 -6.167 0.382 1.00 0.00 O ATOM 229 CB MET A 324 -2.841 -7.245 -1.611 1.00 0.00 C ATOM 230 CG MET A 324 -2.853 -6.077 -2.584 1.00 0.00 C ATOM 231 SD MET A 324 -4.513 -5.441 -2.883 1.00 0.00 S ATOM 232 CE MET A 324 -5.199 -6.747 -3.901 1.00 0.00 C ATOM 0 H MET A 324 -1.405 -9.042 0.349 1.00 0.00 H new ATOM 0 HA MET A 324 -0.915 -7.985 -2.276 1.00 0.00 H new ATOM 0 HB2 MET A 324 -3.475 -8.040 -2.004 1.00 0.00 H new ATOM 0 HB3 MET A 324 -3.281 -6.924 -0.667 1.00 0.00 H new ATOM 0 HG2 MET A 324 -2.226 -5.276 -2.192 1.00 0.00 H new ATOM 0 HG3 MET A 324 -2.413 -6.392 -3.530 1.00 0.00 H new ATOM 0 HE1 MET A 324 -6.137 -6.410 -4.343 1.00 0.00 H new ATOM 0 HE2 MET A 324 -4.494 -6.999 -4.694 1.00 0.00 H new ATOM 0 HE3 MET A 324 -5.384 -7.628 -3.287 1.00 0.00 H new ATOM 242 N GLU A 325 0.598 -6.603 -0.881 1.00 0.00 N ATOM 243 CA GLU A 325 1.453 -5.625 -0.213 1.00 0.00 C ATOM 244 C GLU A 325 2.742 -5.418 -0.993 1.00 0.00 C ATOM 245 O GLU A 325 3.059 -6.182 -1.904 1.00 0.00 O ATOM 246 CB GLU A 325 1.748 -6.016 1.234 1.00 0.00 C ATOM 247 CG GLU A 325 1.648 -4.850 2.204 1.00 0.00 C ATOM 248 CD GLU A 325 0.217 -4.496 2.546 1.00 0.00 C ATOM 249 OE1 GLU A 325 -0.561 -4.215 1.615 1.00 0.00 O ATOM 250 OE2 GLU A 325 -0.126 -4.500 3.746 1.00 0.00 O ATOM 0 H GLU A 325 1.058 -7.117 -1.632 1.00 0.00 H new ATOM 0 HA GLU A 325 0.908 -4.681 -0.186 1.00 0.00 H new ATOM 0 HB2 GLU A 325 1.052 -6.796 1.541 1.00 0.00 H new ATOM 0 HB3 GLU A 325 2.750 -6.442 1.291 1.00 0.00 H new ATOM 0 HG2 GLU A 325 2.186 -5.097 3.119 1.00 0.00 H new ATOM 0 HG3 GLU A 325 2.140 -3.979 1.771 1.00 0.00 H new ATOM 257 N VAL A 326 3.470 -4.371 -0.640 1.00 0.00 N ATOM 258 CA VAL A 326 4.719 -4.046 -1.317 1.00 0.00 C ATOM 259 C VAL A 326 5.936 -4.322 -0.432 1.00 0.00 C ATOM 260 O VAL A 326 5.864 -4.225 0.791 1.00 0.00 O ATOM 261 CB VAL A 326 4.734 -2.567 -1.770 1.00 0.00 C ATOM 262 CG1 VAL A 326 3.784 -1.720 -0.935 1.00 0.00 C ATOM 263 CG2 VAL A 326 6.138 -2.000 -1.713 1.00 0.00 C ATOM 0 H VAL A 326 3.219 -3.730 0.112 1.00 0.00 H new ATOM 0 HA VAL A 326 4.780 -4.692 -2.193 1.00 0.00 H new ATOM 0 HB VAL A 326 4.390 -2.537 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 326 3.819 -0.687 -1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 326 2.769 -2.103 -1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 326 4.083 -1.763 0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 326 6.123 -0.959 -2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 326 6.512 -2.058 -0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 326 6.790 -2.575 -2.371 1.00 0.00 H new ATOM 273 N ALA A 327 7.059 -4.639 -1.073 1.00 0.00 N ATOM 274 CA ALA A 327 8.308 -4.897 -0.367 1.00 0.00 C ATOM 275 C ALA A 327 9.250 -3.710 -0.546 1.00 0.00 C ATOM 276 O ALA A 327 9.717 -3.442 -1.653 1.00 0.00 O ATOM 277 CB ALA A 327 8.956 -6.177 -0.878 1.00 0.00 C ATOM 0 H ALA A 327 7.127 -4.723 -2.087 1.00 0.00 H new ATOM 0 HA ALA A 327 8.097 -5.027 0.695 1.00 0.00 H new ATOM 0 HB1 ALA A 327 9.887 -6.353 -0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 327 8.279 -7.016 -0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 327 9.166 -6.078 -1.943 1.00 0.00 H new ATOM 283 N LEU A 328 9.508 -2.985 0.538 1.00 0.00 N ATOM 284 CA LEU A 328 10.372 -1.810 0.476 1.00 0.00 C ATOM 285 C LEU A 328 11.742 -2.084 1.069 1.00 0.00 C ATOM 286 O LEU A 328 11.854 -2.662 2.145 1.00 0.00 O ATOM 287 CB LEU A 328 9.737 -0.647 1.236 1.00 0.00 C ATOM 288 CG LEU A 328 8.619 0.094 0.498 1.00 0.00 C ATOM 289 CD1 LEU A 328 7.892 1.035 1.446 1.00 0.00 C ATOM 290 CD2 LEU A 328 9.170 0.858 -0.695 1.00 0.00 C ATOM 0 H LEU A 328 9.134 -3.188 1.465 1.00 0.00 H new ATOM 0 HA LEU A 328 10.491 -1.556 -0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 328 9.338 -1.026 2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 328 10.519 0.070 1.487 1.00 0.00 H new ATOM 0 HG LEU A 328 7.908 -0.644 0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 328 7.100 1.555 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 328 7.458 0.462 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 328 8.597 1.764 1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 328 8.356 1.376 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 328 9.906 1.586 -0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 328 9.644 0.161 -1.386 1.00 0.00 H new ATOM 302 N LYS A 329 12.778 -1.630 0.371 1.00 0.00 N ATOM 303 CA LYS A 329 14.146 -1.791 0.839 1.00 0.00 C ATOM 304 C LYS A 329 14.661 -0.458 1.367 1.00 0.00 C ATOM 305 O LYS A 329 14.785 0.505 0.610 1.00 0.00 O ATOM 306 CB LYS A 329 15.052 -2.303 -0.284 1.00 0.00 C ATOM 307 CG LYS A 329 14.763 -1.678 -1.638 1.00 0.00 C ATOM 308 CD LYS A 329 15.585 -2.329 -2.738 1.00 0.00 C ATOM 309 CE LYS A 329 16.019 -1.315 -3.783 1.00 0.00 C ATOM 310 NZ LYS A 329 16.700 -1.963 -4.936 1.00 0.00 N ATOM 0 H LYS A 329 12.693 -1.147 -0.523 1.00 0.00 H new ATOM 0 HA LYS A 329 14.158 -2.529 1.641 1.00 0.00 H new ATOM 0 HB2 LYS A 329 16.091 -2.107 -0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 329 14.942 -3.385 -0.363 1.00 0.00 H new ATOM 0 HG2 LYS A 329 13.702 -1.778 -1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 329 14.982 -0.611 -1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 329 16.464 -2.804 -2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 329 15.000 -3.116 -3.214 1.00 0.00 H new ATOM 0 HE2 LYS A 329 15.148 -0.765 -4.139 1.00 0.00 H new ATOM 0 HE3 LYS A 329 16.691 -0.588 -3.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 16.980 -1.237 -5.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 17.546 -2.467 -4.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 16.051 -2.638 -5.388 1.00 0.00 H new ATOM 324 N LYS A 330 14.931 -0.416 2.673 1.00 0.00 N ATOM 325 CA LYS A 330 15.410 0.791 3.356 1.00 0.00 C ATOM 326 C LYS A 330 16.018 1.809 2.397 1.00 0.00 C ATOM 327 O LYS A 330 17.032 1.545 1.750 1.00 0.00 O ATOM 328 CB LYS A 330 16.435 0.420 4.424 1.00 0.00 C ATOM 329 CG LYS A 330 16.212 1.130 5.743 1.00 0.00 C ATOM 330 CD LYS A 330 16.326 0.170 6.915 1.00 0.00 C ATOM 331 CE LYS A 330 16.446 0.911 8.237 1.00 0.00 C ATOM 332 NZ LYS A 330 16.180 0.019 9.400 1.00 0.00 N ATOM 0 H LYS A 330 14.824 -1.221 3.291 1.00 0.00 H new ATOM 0 HA LYS A 330 14.539 1.257 3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 330 16.403 -0.657 4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 330 17.434 0.657 4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 330 16.942 1.931 5.855 1.00 0.00 H new ATOM 0 HG3 LYS A 330 15.226 1.595 5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 330 15.451 -0.480 6.940 1.00 0.00 H new ATOM 0 HD3 LYS A 330 17.196 -0.472 6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 330 17.446 1.335 8.326 1.00 0.00 H new ATOM 0 HE3 LYS A 330 15.744 1.745 8.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 330 15.349 0.366 9.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 330 15.998 -0.947 9.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 330 17.007 0.015 10.031 1.00 0.00 H new ATOM 346 N GLY A 331 15.387 2.976 2.320 1.00 0.00 N ATOM 347 CA GLY A 331 15.869 4.030 1.450 1.00 0.00 C ATOM 348 C GLY A 331 15.113 4.098 0.141 1.00 0.00 C ATOM 349 O GLY A 331 15.326 5.014 -0.653 1.00 0.00 O ATOM 0 H GLY A 331 14.546 3.210 2.848 1.00 0.00 H new ATOM 0 HA2 GLY A 331 15.784 4.987 1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 331 16.928 3.871 1.246 1.00 0.00 H new ATOM 353 N ASP A 332 14.231 3.128 -0.094 1.00 0.00 N ATOM 354 CA ASP A 332 13.460 3.083 -1.298 1.00 0.00 C ATOM 355 C ASP A 332 12.636 4.363 -1.440 1.00 0.00 C ATOM 356 O ASP A 332 12.623 5.185 -0.533 1.00 0.00 O ATOM 357 CB ASP A 332 12.589 1.819 -1.305 1.00 0.00 C ATOM 358 CG ASP A 332 12.069 1.479 -2.691 1.00 0.00 C ATOM 359 OD1 ASP A 332 12.572 2.061 -3.675 1.00 0.00 O ATOM 360 OD2 ASP A 332 11.167 0.622 -2.796 1.00 0.00 O ATOM 0 H ASP A 332 14.044 2.362 0.553 1.00 0.00 H new ATOM 0 HA ASP A 332 14.120 3.030 -2.164 1.00 0.00 H new ATOM 0 HB2 ASP A 332 13.169 0.980 -0.922 1.00 0.00 H new ATOM 0 HB3 ASP A 332 11.746 1.959 -0.628 1.00 0.00 H new ATOM 365 N LEU A 333 11.967 4.546 -2.572 1.00 0.00 N ATOM 366 CA LEU A 333 11.160 5.750 -2.786 1.00 0.00 C ATOM 367 C LEU A 333 9.859 5.386 -3.498 1.00 0.00 C ATOM 368 O LEU A 333 9.858 4.537 -4.391 1.00 0.00 O ATOM 369 CB LEU A 333 11.938 6.774 -3.618 1.00 0.00 C ATOM 370 CG LEU A 333 12.888 7.674 -2.826 1.00 0.00 C ATOM 371 CD1 LEU A 333 14.259 7.029 -2.707 1.00 0.00 C ATOM 372 CD2 LEU A 333 12.997 9.043 -3.481 1.00 0.00 C ATOM 0 H LEU A 333 11.964 3.887 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 333 10.928 6.190 -1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 333 12.515 6.241 -4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 333 11.224 7.404 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 333 12.481 7.804 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 333 14.921 7.684 -2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 333 14.168 6.072 -2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 333 14.673 6.868 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 333 13.677 9.669 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 333 13.379 8.932 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 333 12.013 9.510 -3.514 1.00 0.00 H new ATOM 384 N MET A 334 8.740 5.991 -3.084 1.00 0.00 N ATOM 385 CA MET A 334 7.441 5.664 -3.683 1.00 0.00 C ATOM 386 C MET A 334 6.415 6.780 -3.561 1.00 0.00 C ATOM 387 O MET A 334 6.593 7.747 -2.827 1.00 0.00 O ATOM 388 CB MET A 334 6.845 4.426 -3.030 1.00 0.00 C ATOM 389 CG MET A 334 7.828 3.613 -2.220 1.00 0.00 C ATOM 390 SD MET A 334 7.531 3.744 -0.449 1.00 0.00 S ATOM 391 CE MET A 334 7.453 5.523 -0.249 1.00 0.00 C ATOM 0 H MET A 334 8.706 6.698 -2.349 1.00 0.00 H new ATOM 0 HA MET A 334 7.650 5.499 -4.740 1.00 0.00 H new ATOM 0 HB2 MET A 334 6.024 4.732 -2.382 1.00 0.00 H new ATOM 0 HB3 MET A 334 6.419 3.790 -3.806 1.00 0.00 H new ATOM 0 HG2 MET A 334 7.765 2.567 -2.520 1.00 0.00 H new ATOM 0 HG3 MET A 334 8.842 3.947 -2.442 1.00 0.00 H new ATOM 0 HE1 MET A 334 7.327 5.765 0.806 1.00 0.00 H new ATOM 0 HE2 MET A 334 8.376 5.971 -0.616 1.00 0.00 H new ATOM 0 HE3 MET A 334 6.609 5.916 -0.815 1.00 0.00 H new ATOM 401 N ALA A 335 5.310 6.598 -4.278 1.00 0.00 N ATOM 402 CA ALA A 335 4.209 7.544 -4.253 1.00 0.00 C ATOM 403 C ALA A 335 3.086 7.000 -3.375 1.00 0.00 C ATOM 404 O ALA A 335 2.811 5.799 -3.386 1.00 0.00 O ATOM 405 CB ALA A 335 3.706 7.807 -5.665 1.00 0.00 C ATOM 0 H ALA A 335 5.157 5.795 -4.888 1.00 0.00 H new ATOM 0 HA ALA A 335 4.557 8.488 -3.835 1.00 0.00 H new ATOM 0 HB1 ALA A 335 2.881 8.518 -5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 335 4.515 8.219 -6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 335 3.362 6.873 -6.109 1.00 0.00 H new ATOM 411 N ILE A 336 2.455 7.880 -2.602 1.00 0.00 N ATOM 412 CA ILE A 336 1.378 7.474 -1.701 1.00 0.00 C ATOM 413 C ILE A 336 0.015 7.842 -2.273 1.00 0.00 C ATOM 414 O ILE A 336 -0.155 8.906 -2.867 1.00 0.00 O ATOM 415 CB ILE A 336 1.535 8.124 -0.312 1.00 0.00 C ATOM 416 CG1 ILE A 336 1.766 9.631 -0.453 1.00 0.00 C ATOM 417 CG2 ILE A 336 2.681 7.474 0.451 1.00 0.00 C ATOM 418 CD1 ILE A 336 1.757 10.374 0.866 1.00 0.00 C ATOM 0 H ILE A 336 2.670 8.877 -2.581 1.00 0.00 H new ATOM 0 HA ILE A 336 1.443 6.391 -1.596 1.00 0.00 H new ATOM 0 HB ILE A 336 0.615 7.968 0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 336 2.723 9.798 -0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 336 0.995 10.049 -1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 336 2.779 7.944 1.430 1.00 0.00 H new ATOM 0 HG22 ILE A 336 2.477 6.411 0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 336 3.608 7.601 -0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 336 1.927 11.436 0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 336 0.792 10.238 1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 336 2.546 9.984 1.509 1.00 0.00 H new ATOM 430 N LEU A 337 -0.947 6.937 -2.114 1.00 0.00 N ATOM 431 CA LEU A 337 -2.285 7.149 -2.639 1.00 0.00 C ATOM 432 C LEU A 337 -3.363 6.928 -1.574 1.00 0.00 C ATOM 433 O LEU A 337 -3.969 7.881 -1.085 1.00 0.00 O ATOM 434 CB LEU A 337 -2.500 6.201 -3.811 1.00 0.00 C ATOM 435 CG LEU A 337 -1.509 6.375 -4.965 1.00 0.00 C ATOM 436 CD1 LEU A 337 -0.679 5.114 -5.160 1.00 0.00 C ATOM 437 CD2 LEU A 337 -2.245 6.738 -6.244 1.00 0.00 C ATOM 0 H LEU A 337 -0.821 6.051 -1.625 1.00 0.00 H new ATOM 0 HA LEU A 337 -2.371 8.186 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 337 -2.437 5.175 -3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 337 -3.511 6.342 -4.194 1.00 0.00 H new ATOM 0 HG LEU A 337 -0.830 7.190 -4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 337 0.018 5.261 -5.985 1.00 0.00 H new ATOM 0 HD12 LEU A 337 -0.122 4.901 -4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 337 -1.338 4.276 -5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 337 -1.527 6.858 -7.055 1.00 0.00 H new ATOM 0 HD22 LEU A 337 -2.948 5.945 -6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 337 -2.788 7.672 -6.099 1.00 0.00 H new ATOM 449 N SER A 338 -3.611 5.663 -1.240 1.00 0.00 N ATOM 450 CA SER A 338 -4.633 5.312 -0.253 1.00 0.00 C ATOM 451 C SER A 338 -4.200 5.654 1.172 1.00 0.00 C ATOM 452 O SER A 338 -3.014 5.619 1.500 1.00 0.00 O ATOM 453 CB SER A 338 -4.963 3.820 -0.346 1.00 0.00 C ATOM 454 OG SER A 338 -5.863 3.562 -1.409 1.00 0.00 O ATOM 0 H SER A 338 -3.119 4.863 -1.638 1.00 0.00 H new ATOM 0 HA SER A 338 -5.520 5.903 -0.481 1.00 0.00 H new ATOM 0 HB2 SER A 338 -4.046 3.250 -0.495 1.00 0.00 H new ATOM 0 HB3 SER A 338 -5.399 3.482 0.594 1.00 0.00 H new ATOM 0 HG SER A 338 -6.056 2.602 -1.448 1.00 0.00 H new ATOM 460 N LYS A 339 -5.182 5.985 2.011 1.00 0.00 N ATOM 461 CA LYS A 339 -4.942 6.336 3.405 1.00 0.00 C ATOM 462 C LYS A 339 -6.015 5.663 4.253 1.00 0.00 C ATOM 463 O LYS A 339 -6.142 4.438 4.228 1.00 0.00 O ATOM 464 CB LYS A 339 -5.025 7.846 3.532 1.00 0.00 C ATOM 465 CG LYS A 339 -3.680 8.549 3.441 1.00 0.00 C ATOM 466 CD LYS A 339 -3.237 8.729 1.997 1.00 0.00 C ATOM 467 CE LYS A 339 -3.944 9.904 1.338 1.00 0.00 C ATOM 468 NZ LYS A 339 -3.521 11.207 1.924 1.00 0.00 N ATOM 0 H LYS A 339 -6.165 6.016 1.740 1.00 0.00 H new ATOM 0 HA LYS A 339 -3.960 6.004 3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 339 -5.678 8.231 2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 339 -5.490 8.095 4.486 1.00 0.00 H new ATOM 0 HG2 LYS A 339 -3.745 9.523 3.926 1.00 0.00 H new ATOM 0 HG3 LYS A 339 -2.930 7.972 3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 339 -2.159 8.887 1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 339 -3.444 7.818 1.436 1.00 0.00 H new ATOM 0 HE2 LYS A 339 -3.733 9.901 0.269 1.00 0.00 H new ATOM 0 HE3 LYS A 339 -5.022 9.788 1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 -3.742 11.975 1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 -4.028 11.366 2.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 -2.497 11.190 2.105 1.00 0.00 H new ATOM 482 N LYS A 340 -6.851 6.462 4.926 1.00 0.00 N ATOM 483 CA LYS A 340 -7.972 5.902 5.669 1.00 0.00 C ATOM 484 C LYS A 340 -8.760 5.103 4.641 1.00 0.00 C ATOM 485 O LYS A 340 -9.476 4.154 4.959 1.00 0.00 O ATOM 486 CB LYS A 340 -8.835 7.031 6.258 1.00 0.00 C ATOM 487 CG LYS A 340 -9.713 6.644 7.448 1.00 0.00 C ATOM 488 CD LYS A 340 -10.704 5.548 7.092 1.00 0.00 C ATOM 489 CE LYS A 340 -11.953 5.622 7.956 1.00 0.00 C ATOM 490 NZ LYS A 340 -13.125 4.982 7.296 1.00 0.00 N ATOM 0 H LYS A 340 -6.771 7.478 4.969 1.00 0.00 H new ATOM 0 HA LYS A 340 -7.649 5.283 6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 340 -8.177 7.844 6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 340 -9.477 7.422 5.469 1.00 0.00 H new ATOM 0 HG2 LYS A 340 -9.081 6.308 8.271 1.00 0.00 H new ATOM 0 HG3 LYS A 340 -10.255 7.522 7.800 1.00 0.00 H new ATOM 0 HD2 LYS A 340 -10.982 5.635 6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 340 -10.231 4.574 7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 340 -11.763 5.133 8.911 1.00 0.00 H new ATOM 0 HE3 LYS A 340 -12.183 6.665 8.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 340 -13.956 5.054 7.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 340 -13.323 5.465 6.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 340 -12.916 3.980 7.113 1.00 0.00 H new ATOM 504 N ASP A 341 -8.548 5.541 3.388 1.00 0.00 N ATOM 505 CA ASP A 341 -9.126 4.978 2.167 1.00 0.00 C ATOM 506 C ASP A 341 -10.052 5.997 1.494 1.00 0.00 C ATOM 507 O ASP A 341 -9.840 6.348 0.333 1.00 0.00 O ATOM 508 CB ASP A 341 -9.857 3.649 2.404 1.00 0.00 C ATOM 509 CG ASP A 341 -10.633 3.189 1.186 1.00 0.00 C ATOM 510 OD1 ASP A 341 -10.086 3.274 0.066 1.00 0.00 O ATOM 511 OD2 ASP A 341 -11.787 2.742 1.351 1.00 0.00 O ATOM 0 H ASP A 341 -7.939 6.336 3.196 1.00 0.00 H new ATOM 0 HA ASP A 341 -8.294 4.755 1.500 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -9.132 2.883 2.680 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -10.540 3.759 3.246 1.00 0.00 H new ATOM 516 N PRO A 342 -11.082 6.509 2.206 1.00 0.00 N ATOM 517 CA PRO A 342 -11.996 7.496 1.650 1.00 0.00 C ATOM 518 C PRO A 342 -11.479 8.919 1.838 1.00 0.00 C ATOM 519 O PRO A 342 -11.312 9.662 0.870 1.00 0.00 O ATOM 520 CB PRO A 342 -13.276 7.279 2.453 1.00 0.00 C ATOM 521 CG PRO A 342 -12.849 6.680 3.758 1.00 0.00 C ATOM 522 CD PRO A 342 -11.430 6.185 3.599 1.00 0.00 C ATOM 0 HA PRO A 342 -12.130 7.379 0.575 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -13.802 8.220 2.610 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -13.960 6.615 1.924 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -12.908 7.421 4.555 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -13.511 5.860 4.036 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -10.757 6.677 4.301 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -11.360 5.114 3.787 1.00 0.00 H new ATOM 530 N LEU A 343 -11.230 9.291 3.090 1.00 0.00 N ATOM 531 CA LEU A 343 -10.731 10.625 3.412 1.00 0.00 C ATOM 532 C LEU A 343 -9.288 10.568 3.912 1.00 0.00 C ATOM 533 O LEU A 343 -8.350 10.821 3.157 1.00 0.00 O ATOM 534 CB LEU A 343 -11.624 11.286 4.465 1.00 0.00 C ATOM 535 CG LEU A 343 -13.114 10.959 4.349 1.00 0.00 C ATOM 536 CD1 LEU A 343 -13.490 9.835 5.302 1.00 0.00 C ATOM 537 CD2 LEU A 343 -13.953 12.198 4.625 1.00 0.00 C ATOM 0 H LEU A 343 -11.366 8.686 3.900 1.00 0.00 H new ATOM 0 HA LEU A 343 -10.753 11.221 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -11.278 10.985 5.454 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -11.499 12.367 4.399 1.00 0.00 H new ATOM 0 HG LEU A 343 -13.316 10.626 3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -14.553 9.616 5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -12.913 8.943 5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -13.274 10.139 6.326 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -15.010 11.948 4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -13.747 12.560 5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -13.703 12.975 3.902 1.00 0.00 H new ATOM 549 N GLY A 344 -9.118 10.236 5.191 1.00 0.00 N ATOM 550 CA GLY A 344 -7.788 10.153 5.771 1.00 0.00 C ATOM 551 C GLY A 344 -7.815 10.183 7.288 1.00 0.00 C ATOM 552 O GLY A 344 -6.916 10.738 7.921 1.00 0.00 O ATOM 0 H GLY A 344 -9.879 10.023 5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 344 -7.306 9.234 5.437 1.00 0.00 H new ATOM 0 HA3 GLY A 344 -7.183 10.982 5.405 1.00 0.00 H new ATOM 556 N ARG A 345 -8.856 9.596 7.869 1.00 0.00 N ATOM 557 CA ARG A 345 -9.016 9.563 9.315 1.00 0.00 C ATOM 558 C ARG A 345 -8.415 8.290 9.930 1.00 0.00 C ATOM 559 O ARG A 345 -7.195 8.133 9.954 1.00 0.00 O ATOM 560 CB ARG A 345 -10.499 9.678 9.657 1.00 0.00 C ATOM 561 CG ARG A 345 -10.777 10.531 10.884 1.00 0.00 C ATOM 562 CD ARG A 345 -12.261 10.808 11.054 1.00 0.00 C ATOM 563 NE ARG A 345 -13.093 9.808 10.389 1.00 0.00 N ATOM 564 CZ ARG A 345 -13.705 8.815 11.027 1.00 0.00 C ATOM 565 NH1 ARG A 345 -13.569 8.682 12.340 1.00 0.00 N ATOM 566 NH2 ARG A 345 -14.453 7.952 10.354 1.00 0.00 N ATOM 0 H ARG A 345 -9.606 9.134 7.354 1.00 0.00 H new ATOM 0 HA ARG A 345 -8.473 10.406 9.741 1.00 0.00 H new ATOM 0 HB2 ARG A 345 -11.028 10.101 8.803 1.00 0.00 H new ATOM 0 HB3 ARG A 345 -10.904 8.679 9.820 1.00 0.00 H new ATOM 0 HG2 ARG A 345 -10.398 10.025 11.772 1.00 0.00 H new ATOM 0 HG3 ARG A 345 -10.238 11.475 10.800 1.00 0.00 H new ATOM 0 HD2 ARG A 345 -12.504 10.831 12.116 1.00 0.00 H new ATOM 0 HD3 ARG A 345 -12.492 11.795 10.652 1.00 0.00 H new ATOM 0 HE ARG A 345 -13.211 9.875 9.378 1.00 0.00 H new ATOM 0 HH11 ARG A 345 -12.994 9.343 12.863 1.00 0.00 H new ATOM 0 HH12 ARG A 345 -14.040 7.919 12.827 1.00 0.00 H new ATOM 0 HH21 ARG A 345 -14.560 8.049 9.344 1.00 0.00 H new ATOM 0 HH22 ARG A 345 -14.921 7.191 10.846 1.00 0.00 H new ATOM 580 N ASP A 346 -9.293 7.394 10.414 1.00 0.00 N ATOM 581 CA ASP A 346 -8.916 6.127 11.039 1.00 0.00 C ATOM 582 C ASP A 346 -7.463 6.079 11.525 1.00 0.00 C ATOM 583 O ASP A 346 -6.952 7.049 12.086 1.00 0.00 O ATOM 584 CB ASP A 346 -9.206 4.993 10.077 1.00 0.00 C ATOM 585 CG ASP A 346 -9.654 3.727 10.781 1.00 0.00 C ATOM 586 OD1 ASP A 346 -10.439 3.830 11.746 1.00 0.00 O ATOM 587 OD2 ASP A 346 -9.221 2.632 10.365 1.00 0.00 O ATOM 0 H ASP A 346 -10.302 7.539 10.378 1.00 0.00 H new ATOM 0 HA ASP A 346 -9.519 6.022 11.941 1.00 0.00 H new ATOM 0 HB2 ASP A 346 -9.979 5.306 9.375 1.00 0.00 H new ATOM 0 HB3 ASP A 346 -8.311 4.781 9.492 1.00 0.00 H new ATOM 592 N SER A 347 -6.811 4.936 11.319 1.00 0.00 N ATOM 593 CA SER A 347 -5.426 4.756 11.736 1.00 0.00 C ATOM 594 C SER A 347 -4.488 5.169 10.610 1.00 0.00 C ATOM 595 O SER A 347 -4.910 5.821 9.655 1.00 0.00 O ATOM 596 CB SER A 347 -5.172 3.297 12.123 1.00 0.00 C ATOM 597 OG SER A 347 -6.297 2.740 12.781 1.00 0.00 O ATOM 0 H SER A 347 -7.223 4.121 10.865 1.00 0.00 H new ATOM 0 HA SER A 347 -5.237 5.385 12.606 1.00 0.00 H new ATOM 0 HB2 SER A 347 -4.944 2.715 11.230 1.00 0.00 H new ATOM 0 HB3 SER A 347 -4.300 3.237 12.774 1.00 0.00 H new ATOM 0 HG SER A 347 -6.110 1.807 13.016 1.00 0.00 H new ATOM 603 N ASP A 348 -3.219 4.787 10.713 1.00 0.00 N ATOM 604 CA ASP A 348 -2.255 5.130 9.685 1.00 0.00 C ATOM 605 C ASP A 348 -1.934 3.915 8.819 1.00 0.00 C ATOM 606 O ASP A 348 -1.142 3.049 9.197 1.00 0.00 O ATOM 607 CB ASP A 348 -0.997 5.670 10.333 1.00 0.00 C ATOM 608 CG ASP A 348 -1.268 6.868 11.221 1.00 0.00 C ATOM 609 OD1 ASP A 348 -2.338 7.494 11.069 1.00 0.00 O ATOM 610 OD2 ASP A 348 -0.408 7.182 12.071 1.00 0.00 O ATOM 0 H ASP A 348 -2.841 4.246 11.491 1.00 0.00 H new ATOM 0 HA ASP A 348 -2.682 5.897 9.039 1.00 0.00 H new ATOM 0 HB2 ASP A 348 -0.530 4.882 10.924 1.00 0.00 H new ATOM 0 HB3 ASP A 348 -0.285 5.951 9.557 1.00 0.00 H new ATOM 615 N TRP A 349 -2.552 3.874 7.646 1.00 0.00 N ATOM 616 CA TRP A 349 -2.361 2.786 6.696 1.00 0.00 C ATOM 617 C TRP A 349 -2.416 3.335 5.279 1.00 0.00 C ATOM 618 O TRP A 349 -3.488 3.692 4.789 1.00 0.00 O ATOM 619 CB TRP A 349 -3.452 1.729 6.884 1.00 0.00 C ATOM 620 CG TRP A 349 -2.953 0.441 7.461 1.00 0.00 C ATOM 621 CD1 TRP A 349 -3.228 -0.066 8.698 1.00 0.00 C ATOM 622 CD2 TRP A 349 -2.099 -0.507 6.818 1.00 0.00 C ATOM 623 NE1 TRP A 349 -2.594 -1.275 8.864 1.00 0.00 N ATOM 624 CE2 TRP A 349 -1.894 -1.567 7.723 1.00 0.00 C ATOM 625 CE3 TRP A 349 -1.487 -0.563 5.566 1.00 0.00 C ATOM 626 CZ2 TRP A 349 -1.102 -2.668 7.410 1.00 0.00 C ATOM 627 CZ3 TRP A 349 -0.703 -1.653 5.257 1.00 0.00 C ATOM 628 CH2 TRP A 349 -0.516 -2.696 6.175 1.00 0.00 C ATOM 0 H TRP A 349 -3.200 4.594 7.326 1.00 0.00 H new ATOM 0 HA TRP A 349 -1.389 2.325 6.869 1.00 0.00 H new ATOM 0 HB2 TRP A 349 -4.227 2.132 7.536 1.00 0.00 H new ATOM 0 HB3 TRP A 349 -3.919 1.527 5.920 1.00 0.00 H new ATOM 0 HD1 TRP A 349 -3.852 0.412 9.438 1.00 0.00 H new ATOM 0 HE1 TRP A 349 -2.638 -1.859 9.699 1.00 0.00 H new ATOM 0 HE3 TRP A 349 -1.625 0.234 4.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 349 -0.956 -3.471 8.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 349 -0.224 -1.705 4.290 1.00 0.00 H new ATOM 0 HH2 TRP A 349 0.103 -3.538 5.901 1.00 0.00 H new ATOM 639 N TRP A 350 -1.260 3.435 4.630 1.00 0.00 N ATOM 640 CA TRP A 350 -1.212 3.984 3.280 1.00 0.00 C ATOM 641 C TRP A 350 -0.722 2.965 2.261 1.00 0.00 C ATOM 642 O TRP A 350 0.140 2.140 2.549 1.00 0.00 O ATOM 643 CB TRP A 350 -0.294 5.209 3.227 1.00 0.00 C ATOM 644 CG TRP A 350 -0.603 6.285 4.231 1.00 0.00 C ATOM 645 CD1 TRP A 350 -1.609 6.307 5.157 1.00 0.00 C ATOM 646 CD2 TRP A 350 0.115 7.508 4.396 1.00 0.00 C ATOM 647 NE1 TRP A 350 -1.548 7.466 5.892 1.00 0.00 N ATOM 648 CE2 TRP A 350 -0.498 8.220 5.443 1.00 0.00 C ATOM 649 CE3 TRP A 350 1.223 8.066 3.760 1.00 0.00 C ATOM 650 CZ2 TRP A 350 -0.035 9.464 5.865 1.00 0.00 C ATOM 651 CZ3 TRP A 350 1.678 9.297 4.177 1.00 0.00 C ATOM 652 CH2 TRP A 350 1.053 9.985 5.219 1.00 0.00 C ATOM 0 H TRP A 350 -0.358 3.148 5.010 1.00 0.00 H new ATOM 0 HA TRP A 350 -2.233 4.267 3.025 1.00 0.00 H new ATOM 0 HB2 TRP A 350 0.734 4.879 3.377 1.00 0.00 H new ATOM 0 HB3 TRP A 350 -0.348 5.641 2.228 1.00 0.00 H new ATOM 0 HD1 TRP A 350 -2.344 5.527 5.291 1.00 0.00 H new ATOM 0 HE1 TRP A 350 -2.182 7.723 6.649 1.00 0.00 H new ATOM 0 HE3 TRP A 350 1.716 7.542 2.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 350 -0.516 9.997 6.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 350 2.534 9.739 3.689 1.00 0.00 H new ATOM 0 HH2 TRP A 350 1.436 10.948 5.521 1.00 0.00 H new ATOM 663 N LYS A 351 -1.260 3.069 1.054 1.00 0.00 N ATOM 664 CA LYS A 351 -0.877 2.203 -0.050 1.00 0.00 C ATOM 665 C LYS A 351 0.049 2.985 -0.975 1.00 0.00 C ATOM 666 O LYS A 351 -0.192 4.161 -1.246 1.00 0.00 O ATOM 667 CB LYS A 351 -2.132 1.727 -0.793 1.00 0.00 C ATOM 668 CG LYS A 351 -2.332 2.351 -2.168 1.00 0.00 C ATOM 669 CD LYS A 351 -1.778 1.462 -3.272 1.00 0.00 C ATOM 670 CE LYS A 351 -2.745 1.359 -4.442 1.00 0.00 C ATOM 671 NZ LYS A 351 -2.625 2.519 -5.368 1.00 0.00 N ATOM 0 H LYS A 351 -1.974 3.756 0.813 1.00 0.00 H new ATOM 0 HA LYS A 351 -0.353 1.321 0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 351 -2.083 0.644 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 351 -3.006 1.945 -0.179 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -3.395 2.525 -2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -1.841 3.323 -2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -0.826 1.862 -3.620 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -1.579 0.467 -2.874 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -2.554 0.436 -4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -3.766 1.300 -4.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -3.313 2.418 -6.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -2.815 3.399 -4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -1.663 2.551 -5.762 1.00 0.00 H new ATOM 685 N VAL A 352 1.132 2.359 -1.423 1.00 0.00 N ATOM 686 CA VAL A 352 2.087 3.061 -2.271 1.00 0.00 C ATOM 687 C VAL A 352 2.599 2.224 -3.434 1.00 0.00 C ATOM 688 O VAL A 352 2.543 0.990 -3.421 1.00 0.00 O ATOM 689 CB VAL A 352 3.311 3.529 -1.452 1.00 0.00 C ATOM 690 CG1 VAL A 352 2.880 4.130 -0.123 1.00 0.00 C ATOM 691 CG2 VAL A 352 4.283 2.374 -1.230 1.00 0.00 C ATOM 0 H VAL A 352 1.367 1.388 -1.219 1.00 0.00 H new ATOM 0 HA VAL A 352 1.536 3.910 -2.676 1.00 0.00 H new ATOM 0 HB VAL A 352 3.822 4.304 -2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 352 3.760 4.451 0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 352 2.232 4.988 -0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 352 2.338 3.382 0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 352 5.138 2.724 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 352 3.780 1.574 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 352 4.627 1.997 -2.193 1.00 0.00 H new ATOM 701 N ARG A 353 3.147 2.935 -4.417 1.00 0.00 N ATOM 702 CA ARG A 353 3.748 2.325 -5.590 1.00 0.00 C ATOM 703 C ARG A 353 5.230 2.685 -5.612 1.00 0.00 C ATOM 704 O ARG A 353 5.584 3.863 -5.695 1.00 0.00 O ATOM 705 CB ARG A 353 3.076 2.817 -6.871 1.00 0.00 C ATOM 706 CG ARG A 353 1.605 2.480 -6.958 1.00 0.00 C ATOM 707 CD ARG A 353 0.952 3.135 -8.165 1.00 0.00 C ATOM 708 NE ARG A 353 1.163 4.579 -8.190 1.00 0.00 N ATOM 709 CZ ARG A 353 1.988 5.188 -9.038 1.00 0.00 C ATOM 710 NH1 ARG A 353 2.684 4.479 -9.917 1.00 0.00 N ATOM 711 NH2 ARG A 353 2.120 6.506 -9.005 1.00 0.00 N ATOM 0 H ARG A 353 3.184 3.954 -4.418 1.00 0.00 H new ATOM 0 HA ARG A 353 3.618 1.244 -5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 353 3.196 3.898 -6.941 1.00 0.00 H new ATOM 0 HB3 ARG A 353 3.590 2.383 -7.729 1.00 0.00 H new ATOM 0 HG2 ARG A 353 1.482 1.399 -7.019 1.00 0.00 H new ATOM 0 HG3 ARG A 353 1.101 2.808 -6.048 1.00 0.00 H new ATOM 0 HD2 ARG A 353 1.355 2.695 -9.077 1.00 0.00 H new ATOM 0 HD3 ARG A 353 -0.118 2.926 -8.155 1.00 0.00 H new ATOM 0 HE ARG A 353 0.650 5.153 -7.521 1.00 0.00 H new ATOM 0 HH11 ARG A 353 2.588 3.464 -9.944 1.00 0.00 H new ATOM 0 HH12 ARG A 353 3.316 4.949 -10.566 1.00 0.00 H new ATOM 0 HH21 ARG A 353 1.589 7.055 -8.329 1.00 0.00 H new ATOM 0 HH22 ARG A 353 2.753 6.972 -9.656 1.00 0.00 H new ATOM 725 N THR A 354 6.089 1.681 -5.510 1.00 0.00 N ATOM 726 CA THR A 354 7.532 1.919 -5.492 1.00 0.00 C ATOM 727 C THR A 354 8.166 1.571 -6.828 1.00 0.00 C ATOM 728 O THR A 354 7.829 0.557 -7.440 1.00 0.00 O ATOM 729 CB THR A 354 8.231 1.113 -4.379 1.00 0.00 C ATOM 730 OG1 THR A 354 9.135 0.161 -4.952 1.00 0.00 O ATOM 731 CG2 THR A 354 7.215 0.391 -3.509 1.00 0.00 C ATOM 0 H THR A 354 5.819 0.700 -5.439 1.00 0.00 H new ATOM 0 HA THR A 354 7.667 2.982 -5.295 1.00 0.00 H new ATOM 0 HB THR A 354 8.788 1.813 -3.756 1.00 0.00 H new ATOM 0 HG1 THR A 354 9.895 0.027 -4.348 1.00 0.00 H new ATOM 0 HG21 THR A 354 7.735 -0.170 -2.732 1.00 0.00 H new ATOM 0 HG22 THR A 354 6.549 1.119 -3.047 1.00 0.00 H new ATOM 0 HG23 THR A 354 6.632 -0.295 -4.123 1.00 0.00 H new ATOM 739 N LYS A 355 9.085 2.425 -7.276 1.00 0.00 N ATOM 740 CA LYS A 355 9.767 2.221 -8.547 1.00 0.00 C ATOM 741 C LYS A 355 8.756 1.931 -9.650 1.00 0.00 C ATOM 742 O LYS A 355 9.091 1.347 -10.681 1.00 0.00 O ATOM 743 CB LYS A 355 10.769 1.079 -8.419 1.00 0.00 C ATOM 744 CG LYS A 355 11.611 1.183 -7.161 1.00 0.00 C ATOM 745 CD LYS A 355 11.863 -0.181 -6.538 1.00 0.00 C ATOM 746 CE LYS A 355 13.230 -0.251 -5.879 1.00 0.00 C ATOM 747 NZ LYS A 355 14.145 -1.184 -6.595 1.00 0.00 N ATOM 0 H LYS A 355 9.373 3.265 -6.775 1.00 0.00 H new ATOM 0 HA LYS A 355 10.307 3.130 -8.812 1.00 0.00 H new ATOM 0 HB2 LYS A 355 10.234 0.129 -8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 355 11.423 1.074 -9.291 1.00 0.00 H new ATOM 0 HG2 LYS A 355 12.564 1.656 -7.399 1.00 0.00 H new ATOM 0 HG3 LYS A 355 11.108 1.826 -6.439 1.00 0.00 H new ATOM 0 HD2 LYS A 355 11.091 -0.392 -5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 355 11.789 -0.951 -7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 355 13.673 0.745 -5.855 1.00 0.00 H new ATOM 0 HE3 LYS A 355 13.118 -0.575 -4.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 15.114 -0.807 -6.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 14.124 -2.115 -6.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 13.837 -1.282 -7.583 1.00 0.00 H new ATOM 761 N ASN A 356 7.511 2.341 -9.409 1.00 0.00 N ATOM 762 CA ASN A 356 6.428 2.129 -10.361 1.00 0.00 C ATOM 763 C ASN A 356 6.241 0.640 -10.634 1.00 0.00 C ATOM 764 O ASN A 356 6.129 0.219 -11.786 1.00 0.00 O ATOM 765 CB ASN A 356 6.704 2.877 -11.668 1.00 0.00 C ATOM 766 CG ASN A 356 7.168 4.300 -11.432 1.00 0.00 C ATOM 767 OD1 ASN A 356 6.565 5.042 -10.658 1.00 0.00 O ATOM 768 ND2 ASN A 356 8.247 4.690 -12.102 1.00 0.00 N ATOM 0 H ASN A 356 7.229 2.825 -8.556 1.00 0.00 H new ATOM 0 HA ASN A 356 5.509 2.522 -9.926 1.00 0.00 H new ATOM 0 HB2 ASN A 356 7.463 2.340 -12.238 1.00 0.00 H new ATOM 0 HB3 ASN A 356 5.799 2.889 -12.275 1.00 0.00 H new ATOM 0 HD21 ASN A 356 8.606 5.638 -11.984 1.00 0.00 H new ATOM 0 HD22 ASN A 356 8.717 4.042 -12.734 1.00 0.00 H new ATOM 775 N GLY A 357 6.211 -0.154 -9.566 1.00 0.00 N ATOM 776 CA GLY A 357 6.042 -1.585 -9.725 1.00 0.00 C ATOM 777 C GLY A 357 5.512 -2.275 -8.483 1.00 0.00 C ATOM 778 O GLY A 357 4.620 -3.120 -8.582 1.00 0.00 O ATOM 0 H GLY A 357 6.300 0.167 -8.602 1.00 0.00 H new ATOM 0 HA2 GLY A 357 5.359 -1.772 -10.554 1.00 0.00 H new ATOM 0 HA3 GLY A 357 7.001 -2.028 -9.996 1.00 0.00 H new ATOM 782 N ASN A 358 6.039 -1.926 -7.309 1.00 0.00 N ATOM 783 CA ASN A 358 5.573 -2.545 -6.075 1.00 0.00 C ATOM 784 C ASN A 358 4.370 -1.791 -5.538 1.00 0.00 C ATOM 785 O ASN A 358 4.508 -0.832 -4.777 1.00 0.00 O ATOM 786 CB ASN A 358 6.684 -2.587 -5.035 1.00 0.00 C ATOM 787 CG ASN A 358 7.965 -3.194 -5.572 1.00 0.00 C ATOM 788 OD1 ASN A 358 7.999 -3.726 -6.682 1.00 0.00 O ATOM 789 ND2 ASN A 358 9.029 -3.118 -4.781 1.00 0.00 N ATOM 0 H ASN A 358 6.775 -1.230 -7.190 1.00 0.00 H new ATOM 0 HA ASN A 358 5.278 -3.571 -6.293 1.00 0.00 H new ATOM 0 HB2 ASN A 358 6.886 -1.575 -4.684 1.00 0.00 H new ATOM 0 HB3 ASN A 358 6.347 -3.163 -4.173 1.00 0.00 H new ATOM 0 HD21 ASN A 358 9.920 -3.510 -5.086 1.00 0.00 H new ATOM 0 HD22 ASN A 358 8.955 -2.668 -3.869 1.00 0.00 H new ATOM 796 N ILE A 359 3.188 -2.222 -5.961 1.00 0.00 N ATOM 797 CA ILE A 359 1.949 -1.586 -5.550 1.00 0.00 C ATOM 798 C ILE A 359 1.236 -2.387 -4.469 1.00 0.00 C ATOM 799 O ILE A 359 0.724 -3.478 -4.722 1.00 0.00 O ATOM 800 CB ILE A 359 1.003 -1.398 -6.749 1.00 0.00 C ATOM 801 CG1 ILE A 359 1.810 -1.043 -7.997 1.00 0.00 C ATOM 802 CG2 ILE A 359 -0.022 -0.318 -6.446 1.00 0.00 C ATOM 803 CD1 ILE A 359 1.030 -1.175 -9.287 1.00 0.00 C ATOM 0 H ILE A 359 3.065 -3.014 -6.592 1.00 0.00 H new ATOM 0 HA ILE A 359 2.215 -0.611 -5.142 1.00 0.00 H new ATOM 0 HB ILE A 359 0.471 -2.331 -6.933 1.00 0.00 H new ATOM 0 HG12 ILE A 359 2.172 -0.019 -7.905 1.00 0.00 H new ATOM 0 HG13 ILE A 359 2.688 -1.688 -8.046 1.00 0.00 H new ATOM 0 HG21 ILE A 359 -0.685 -0.195 -7.302 1.00 0.00 H new ATOM 0 HG22 ILE A 359 -0.607 -0.606 -5.573 1.00 0.00 H new ATOM 0 HG23 ILE A 359 0.490 0.623 -6.245 1.00 0.00 H new ATOM 0 HD11 ILE A 359 1.669 -0.906 -10.128 1.00 0.00 H new ATOM 0 HD12 ILE A 359 0.691 -2.204 -9.403 1.00 0.00 H new ATOM 0 HD13 ILE A 359 0.167 -0.510 -9.260 1.00 0.00 H new ATOM 815 N GLY A 360 1.203 -1.828 -3.267 1.00 0.00 N ATOM 816 CA GLY A 360 0.547 -2.486 -2.152 1.00 0.00 C ATOM 817 C GLY A 360 0.239 -1.507 -1.043 1.00 0.00 C ATOM 818 O GLY A 360 0.117 -0.308 -1.296 1.00 0.00 O ATOM 0 H GLY A 360 1.621 -0.925 -3.042 1.00 0.00 H new ATOM 0 HA2 GLY A 360 -0.376 -2.954 -2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 360 1.185 -3.283 -1.770 1.00 0.00 H new ATOM 822 N TYR A 361 0.130 -1.994 0.187 1.00 0.00 N ATOM 823 CA TYR A 361 -0.145 -1.108 1.311 1.00 0.00 C ATOM 824 C TYR A 361 1.031 -1.108 2.269 1.00 0.00 C ATOM 825 O TYR A 361 1.956 -1.906 2.125 1.00 0.00 O ATOM 826 CB TYR A 361 -1.424 -1.519 2.043 1.00 0.00 C ATOM 827 CG TYR A 361 -2.694 -1.116 1.330 1.00 0.00 C ATOM 828 CD1 TYR A 361 -3.096 -1.767 0.172 1.00 0.00 C ATOM 829 CD2 TYR A 361 -3.490 -0.087 1.815 1.00 0.00 C ATOM 830 CE1 TYR A 361 -4.256 -1.405 -0.485 1.00 0.00 C ATOM 831 CE2 TYR A 361 -4.653 0.283 1.166 1.00 0.00 C ATOM 832 CZ TYR A 361 -5.031 -0.379 0.016 1.00 0.00 C ATOM 833 OH TYR A 361 -6.188 -0.014 -0.634 1.00 0.00 O ATOM 0 H TYR A 361 0.226 -2.980 0.429 1.00 0.00 H new ATOM 0 HA TYR A 361 -0.292 -0.101 0.922 1.00 0.00 H new ATOM 0 HB2 TYR A 361 -1.422 -2.601 2.178 1.00 0.00 H new ATOM 0 HB3 TYR A 361 -1.421 -1.074 3.038 1.00 0.00 H new ATOM 0 HD1 TYR A 361 -2.491 -2.570 -0.222 1.00 0.00 H new ATOM 0 HD2 TYR A 361 -3.196 0.433 2.715 1.00 0.00 H new ATOM 0 HE1 TYR A 361 -4.555 -1.922 -1.385 1.00 0.00 H new ATOM 0 HE2 TYR A 361 -5.262 1.085 1.557 1.00 0.00 H new ATOM 0 HH TYR A 361 -6.616 0.723 -0.151 1.00 0.00 H new ATOM 843 N ILE A 362 0.999 -0.215 3.246 1.00 0.00 N ATOM 844 CA ILE A 362 2.074 -0.132 4.218 1.00 0.00 C ATOM 845 C ILE A 362 1.750 0.825 5.358 1.00 0.00 C ATOM 846 O ILE A 362 1.401 1.987 5.133 1.00 0.00 O ATOM 847 CB ILE A 362 3.404 0.320 3.574 1.00 0.00 C ATOM 848 CG1 ILE A 362 4.428 0.644 4.673 1.00 0.00 C ATOM 849 CG2 ILE A 362 3.172 1.521 2.667 1.00 0.00 C ATOM 850 CD1 ILE A 362 5.700 1.292 4.174 1.00 0.00 C ATOM 0 H ILE A 362 0.245 0.458 3.385 1.00 0.00 H new ATOM 0 HA ILE A 362 2.182 -1.142 4.613 1.00 0.00 H new ATOM 0 HB ILE A 362 3.801 -0.489 2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 362 3.961 1.305 5.404 1.00 0.00 H new ATOM 0 HG13 ILE A 362 4.685 -0.277 5.195 1.00 0.00 H new ATOM 0 HG21 ILE A 362 4.118 1.828 2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 362 2.469 1.251 1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 362 2.763 2.345 3.252 1.00 0.00 H new ATOM 0 HD11 ILE A 362 6.364 1.485 5.016 1.00 0.00 H new ATOM 0 HD12 ILE A 362 6.195 0.626 3.467 1.00 0.00 H new ATOM 0 HD13 ILE A 362 5.459 2.233 3.679 1.00 0.00 H new ATOM 862 N PRO A 363 1.900 0.347 6.605 1.00 0.00 N ATOM 863 CA PRO A 363 1.675 1.153 7.800 1.00 0.00 C ATOM 864 C PRO A 363 2.371 2.500 7.681 1.00 0.00 C ATOM 865 O PRO A 363 3.577 2.549 7.442 1.00 0.00 O ATOM 866 CB PRO A 363 2.338 0.336 8.922 1.00 0.00 C ATOM 867 CG PRO A 363 3.029 -0.810 8.251 1.00 0.00 C ATOM 868 CD PRO A 363 2.332 -1.009 6.948 1.00 0.00 C ATOM 0 HA PRO A 363 0.617 1.354 7.970 1.00 0.00 H new ATOM 0 HB2 PRO A 363 3.048 0.946 9.480 1.00 0.00 H new ATOM 0 HB3 PRO A 363 1.595 -0.021 9.635 1.00 0.00 H new ATOM 0 HG2 PRO A 363 4.086 -0.592 8.098 1.00 0.00 H new ATOM 0 HG3 PRO A 363 2.975 -1.710 8.863 1.00 0.00 H new ATOM 0 HD2 PRO A 363 2.998 -1.426 6.192 1.00 0.00 H new ATOM 0 HD3 PRO A 363 1.488 -1.692 7.040 1.00 0.00 H new ATOM 876 N TYR A 364 1.631 3.591 7.849 1.00 0.00 N ATOM 877 CA TYR A 364 2.244 4.909 7.752 1.00 0.00 C ATOM 878 C TYR A 364 3.283 5.071 8.857 1.00 0.00 C ATOM 879 O TYR A 364 2.970 5.489 9.974 1.00 0.00 O ATOM 880 CB TYR A 364 1.187 6.015 7.820 1.00 0.00 C ATOM 881 CG TYR A 364 1.744 7.391 8.124 1.00 0.00 C ATOM 882 CD1 TYR A 364 2.812 7.911 7.401 1.00 0.00 C ATOM 883 CD2 TYR A 364 1.200 8.169 9.139 1.00 0.00 C ATOM 884 CE1 TYR A 364 3.321 9.165 7.680 1.00 0.00 C ATOM 885 CE2 TYR A 364 1.703 9.424 9.424 1.00 0.00 C ATOM 886 CZ TYR A 364 2.762 9.917 8.692 1.00 0.00 C ATOM 887 OH TYR A 364 3.265 11.167 8.974 1.00 0.00 O ATOM 0 H TYR A 364 0.631 3.591 8.048 1.00 0.00 H new ATOM 0 HA TYR A 364 2.741 4.997 6.786 1.00 0.00 H new ATOM 0 HB2 TYR A 364 0.656 6.053 6.869 1.00 0.00 H new ATOM 0 HB3 TYR A 364 0.455 5.755 8.584 1.00 0.00 H new ATOM 0 HD1 TYR A 364 3.251 7.325 6.608 1.00 0.00 H new ATOM 0 HD2 TYR A 364 0.370 7.786 9.715 1.00 0.00 H new ATOM 0 HE1 TYR A 364 4.151 9.554 7.109 1.00 0.00 H new ATOM 0 HE2 TYR A 364 1.269 10.016 10.216 1.00 0.00 H new ATOM 0 HH TYR A 364 2.759 11.564 9.713 1.00 0.00 H new ATOM 897 N ASN A 365 4.522 4.715 8.530 1.00 0.00 N ATOM 898 CA ASN A 365 5.630 4.789 9.477 1.00 0.00 C ATOM 899 C ASN A 365 6.946 4.372 8.821 1.00 0.00 C ATOM 900 O ASN A 365 8.003 4.904 9.156 1.00 0.00 O ATOM 901 CB ASN A 365 5.353 3.900 10.693 1.00 0.00 C ATOM 902 CG ASN A 365 6.582 3.701 11.559 1.00 0.00 C ATOM 903 OD1 ASN A 365 6.906 2.577 11.946 1.00 0.00 O ATOM 904 ND2 ASN A 365 7.273 4.792 11.870 1.00 0.00 N ATOM 0 H ASN A 365 4.785 4.369 7.607 1.00 0.00 H new ATOM 0 HA ASN A 365 5.721 5.825 9.803 1.00 0.00 H new ATOM 0 HB2 ASN A 365 4.559 4.346 11.292 1.00 0.00 H new ATOM 0 HB3 ASN A 365 4.990 2.930 10.354 1.00 0.00 H new ATOM 0 HD21 ASN A 365 8.108 4.718 12.451 1.00 0.00 H new ATOM 0 HD22 ASN A 365 6.969 5.703 11.528 1.00 0.00 H new ATOM 911 N TYR A 366 6.879 3.415 7.892 1.00 0.00 N ATOM 912 CA TYR A 366 8.073 2.936 7.200 1.00 0.00 C ATOM 913 C TYR A 366 8.286 3.679 5.882 1.00 0.00 C ATOM 914 O TYR A 366 9.109 3.278 5.058 1.00 0.00 O ATOM 915 CB TYR A 366 7.979 1.433 6.935 1.00 0.00 C ATOM 916 CG TYR A 366 7.736 0.604 8.175 1.00 0.00 C ATOM 917 CD1 TYR A 366 8.646 0.609 9.224 1.00 0.00 C ATOM 918 CD2 TYR A 366 6.599 -0.185 8.294 1.00 0.00 C ATOM 919 CE1 TYR A 366 8.430 -0.150 10.359 1.00 0.00 C ATOM 920 CE2 TYR A 366 6.375 -0.945 9.427 1.00 0.00 C ATOM 921 CZ TYR A 366 7.293 -0.924 10.455 1.00 0.00 C ATOM 922 OH TYR A 366 7.074 -1.681 11.582 1.00 0.00 O ATOM 0 H TYR A 366 6.013 2.959 7.604 1.00 0.00 H new ATOM 0 HA TYR A 366 8.927 3.131 7.849 1.00 0.00 H new ATOM 0 HB2 TYR A 366 7.173 1.250 6.224 1.00 0.00 H new ATOM 0 HB3 TYR A 366 8.903 1.099 6.463 1.00 0.00 H new ATOM 0 HD1 TYR A 366 9.537 1.216 9.152 1.00 0.00 H new ATOM 0 HD2 TYR A 366 5.879 -0.205 7.489 1.00 0.00 H new ATOM 0 HE1 TYR A 366 9.148 -0.137 11.166 1.00 0.00 H new ATOM 0 HE2 TYR A 366 5.485 -1.552 9.506 1.00 0.00 H new ATOM 0 HH TYR A 366 6.228 -2.166 11.491 1.00 0.00 H new ATOM 932 N ILE A 367 7.559 4.773 5.691 1.00 0.00 N ATOM 933 CA ILE A 367 7.701 5.570 4.479 1.00 0.00 C ATOM 934 C ILE A 367 7.886 7.045 4.816 1.00 0.00 C ATOM 935 O ILE A 367 6.973 7.701 5.315 1.00 0.00 O ATOM 936 CB ILE A 367 6.504 5.411 3.535 1.00 0.00 C ATOM 937 CG1 ILE A 367 5.198 5.326 4.327 1.00 0.00 C ATOM 938 CG2 ILE A 367 6.692 4.183 2.664 1.00 0.00 C ATOM 939 CD1 ILE A 367 4.065 6.110 3.702 1.00 0.00 C ATOM 0 H ILE A 367 6.870 5.127 6.355 1.00 0.00 H new ATOM 0 HA ILE A 367 8.589 5.198 3.967 1.00 0.00 H new ATOM 0 HB ILE A 367 6.445 6.288 2.890 1.00 0.00 H new ATOM 0 HG12 ILE A 367 4.902 4.281 4.414 1.00 0.00 H new ATOM 0 HG13 ILE A 367 5.370 5.694 5.338 1.00 0.00 H new ATOM 0 HG21 ILE A 367 5.837 4.077 1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 367 7.602 4.291 2.074 1.00 0.00 H new ATOM 0 HG23 ILE A 367 6.771 3.298 3.295 1.00 0.00 H new ATOM 0 HD11 ILE A 367 3.169 6.006 4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 367 4.342 7.162 3.639 1.00 0.00 H new ATOM 0 HD13 ILE A 367 3.866 5.727 2.701 1.00 0.00 H new ATOM 951 N GLU A 368 9.090 7.548 4.560 1.00 0.00 N ATOM 952 CA GLU A 368 9.425 8.934 4.852 1.00 0.00 C ATOM 953 C GLU A 368 8.853 9.883 3.804 1.00 0.00 C ATOM 954 O GLU A 368 9.456 10.082 2.751 1.00 0.00 O ATOM 955 CB GLU A 368 10.944 9.101 4.925 1.00 0.00 C ATOM 956 CG GLU A 368 11.383 10.490 5.361 1.00 0.00 C ATOM 957 CD GLU A 368 12.740 10.488 6.036 1.00 0.00 C ATOM 958 OE1 GLU A 368 13.632 9.746 5.575 1.00 0.00 O ATOM 959 OE2 GLU A 368 12.911 11.230 7.026 1.00 0.00 O ATOM 0 H GLU A 368 9.853 7.011 4.148 1.00 0.00 H new ATOM 0 HA GLU A 368 8.981 9.187 5.815 1.00 0.00 H new ATOM 0 HB2 GLU A 368 11.349 8.366 5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 368 11.373 8.884 3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 368 11.415 11.146 4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 368 10.642 10.903 6.045 1.00 0.00 H new ATOM 966 N ILE A 369 7.699 10.480 4.099 1.00 0.00 N ATOM 967 CA ILE A 369 7.073 11.420 3.170 1.00 0.00 C ATOM 968 C ILE A 369 8.095 12.461 2.740 1.00 0.00 C ATOM 969 O ILE A 369 8.966 12.828 3.530 1.00 0.00 O ATOM 970 CB ILE A 369 5.861 12.148 3.792 1.00 0.00 C ATOM 971 CG1 ILE A 369 5.127 11.268 4.810 1.00 0.00 C ATOM 972 CG2 ILE A 369 4.902 12.602 2.702 1.00 0.00 C ATOM 973 CD1 ILE A 369 4.969 9.826 4.393 1.00 0.00 C ATOM 0 H ILE A 369 7.182 10.332 4.966 1.00 0.00 H new ATOM 0 HA ILE A 369 6.717 10.841 2.318 1.00 0.00 H new ATOM 0 HB ILE A 369 6.240 13.021 4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 369 5.667 11.302 5.756 1.00 0.00 H new ATOM 0 HG13 ILE A 369 4.139 11.691 4.991 1.00 0.00 H new ATOM 0 HG21 ILE A 369 4.053 13.113 3.155 1.00 0.00 H new ATOM 0 HG22 ILE A 369 5.417 13.283 2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 369 4.548 11.735 2.144 1.00 0.00 H new ATOM 0 HD11 ILE A 369 4.439 9.278 5.172 1.00 0.00 H new ATOM 0 HD12 ILE A 369 4.401 9.776 3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 369 5.953 9.381 4.241 1.00 0.00 H new ATOM 985 N ILE A 370 8.015 12.941 1.500 1.00 0.00 N ATOM 986 CA ILE A 370 8.997 13.939 1.056 1.00 0.00 C ATOM 987 C ILE A 370 8.638 15.332 1.558 1.00 0.00 C ATOM 988 O ILE A 370 9.564 16.083 1.930 1.00 0.00 O ATOM 989 CB ILE A 370 9.154 13.981 -0.471 1.00 0.00 C ATOM 990 CG1 ILE A 370 7.938 13.357 -1.100 1.00 0.00 C ATOM 991 CG2 ILE A 370 10.422 13.260 -0.903 1.00 0.00 C ATOM 992 CD1 ILE A 370 6.735 14.258 -1.062 1.00 0.00 C ATOM 993 OXT ILE A 370 7.433 15.662 1.577 1.00 0.00 O ATOM 0 H ILE A 370 7.315 12.673 0.808 1.00 0.00 H new ATOM 0 HA ILE A 370 9.949 13.628 1.486 1.00 0.00 H new ATOM 0 HB ILE A 370 9.241 15.016 -0.801 1.00 0.00 H new ATOM 0 HG12 ILE A 370 8.161 13.100 -2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 370 7.705 12.426 -0.584 1.00 0.00 H new ATOM 0 HG21 ILE A 370 10.513 13.302 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 370 11.287 13.741 -0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 370 10.376 12.219 -0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 370 5.889 13.755 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 370 6.490 14.494 -0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 370 6.953 15.179 -1.602 1.00 0.00 H new