USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 668 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 18 CYS SG : rot 150:sc= -10.2! USER MOD Set 1.2: A 77 TYR OH : rot 26:sc= -6.15! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 97:sc= -4.04! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot -164:sc= 1.62 USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= -0.0727 (180deg=-0.579) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -7.2! C(o=-7.2!,f=-7.8!) USER MOD Single : A 35 HIS : no HD1:sc= -10.2! C(o=-10!,f=-12!) USER MOD Single : A 37 THR OG1 : rot 44:sc= 0.252! USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.383 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.67 X(o=-1.7,f=-1.4!) USER MOD Single : A 64 THR OG1 : rot -25:sc= 0.61 USER MOD Single : A 65 TYR OH : rot -20:sc= -1.69! USER MOD Single : A 72 LYS NZ :NH3+ -115:sc= -0.296 (180deg=-2.57!) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.686 F(o=-2.2,f=-0.69) USER MOD Single : A 82 THR OG1 : rot -170:sc= -7.06! USER MOD Single : A 87 ASN : amide:sc= -0.846 K(o=-0.85,f=-5.2!) USER MOD Single : A 89 ASN : amide:sc= -0.351 K(o=-0.35,f=-0.87) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -148:sc= -0.137 (180deg=-0.75) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -15.596 -9.554 -0.688 1.00 0.00 N ATOM 14 CA ASP A 2 -14.220 -9.769 -0.160 1.00 0.00 C ATOM 15 C ASP A 2 -13.878 -8.776 0.973 1.00 0.00 C ATOM 16 O ASP A 2 -12.787 -8.251 1.018 1.00 0.00 O ATOM 17 CB ASP A 2 -13.231 -9.594 -1.306 1.00 0.00 C ATOM 18 CG ASP A 2 -11.828 -9.717 -0.748 1.00 0.00 C ATOM 19 OD1 ASP A 2 -11.699 -10.277 0.324 1.00 0.00 O ATOM 20 OD2 ASP A 2 -10.906 -9.253 -1.397 1.00 0.00 O ATOM 0 HA ASP A 2 -14.160 -10.775 0.256 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.402 -10.349 -2.073 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.367 -8.622 -1.780 1.00 0.00 H new ATOM 25 N PRO A 3 -14.788 -8.569 1.892 1.00 0.00 N ATOM 26 CA PRO A 3 -14.530 -7.686 3.040 1.00 0.00 C ATOM 27 C PRO A 3 -13.662 -8.439 4.056 1.00 0.00 C ATOM 28 O PRO A 3 -13.356 -7.942 5.122 1.00 0.00 O ATOM 29 CB PRO A 3 -15.922 -7.422 3.618 1.00 0.00 C ATOM 30 CG PRO A 3 -16.808 -8.599 3.149 1.00 0.00 C ATOM 31 CD PRO A 3 -16.138 -9.167 1.885 1.00 0.00 C ATOM 0 HA PRO A 3 -14.009 -6.765 2.779 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -15.889 -7.368 4.706 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.318 -6.470 3.263 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.884 -9.361 3.924 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.822 -8.261 2.933 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -16.092 -10.256 1.914 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.690 -8.895 0.985 1.00 0.00 H new ATOM 39 N GLU A 4 -13.294 -9.655 3.736 1.00 0.00 N ATOM 40 CA GLU A 4 -12.484 -10.474 4.678 1.00 0.00 C ATOM 41 C GLU A 4 -11.310 -11.144 3.955 1.00 0.00 C ATOM 42 O GLU A 4 -10.645 -11.996 4.509 1.00 0.00 O ATOM 43 CB GLU A 4 -13.383 -11.567 5.226 1.00 0.00 C ATOM 44 CG GLU A 4 -13.555 -11.399 6.738 1.00 0.00 C ATOM 45 CD GLU A 4 -14.435 -12.527 7.282 1.00 0.00 C ATOM 46 OE1 GLU A 4 -14.977 -13.269 6.479 1.00 0.00 O ATOM 47 OE2 GLU A 4 -14.550 -12.630 8.492 1.00 0.00 O ATOM 0 H GLU A 4 -13.524 -10.115 2.855 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.091 -9.831 5.466 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.355 -11.529 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.954 -12.545 5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.582 -11.414 7.229 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.008 -10.432 6.958 1.00 0.00 H new ATOM 54 N LYS A 5 -11.049 -10.785 2.731 1.00 0.00 N ATOM 55 CA LYS A 5 -9.924 -11.426 2.003 1.00 0.00 C ATOM 56 C LYS A 5 -9.318 -10.400 1.060 1.00 0.00 C ATOM 57 O LYS A 5 -8.924 -10.701 -0.050 1.00 0.00 O ATOM 58 CB LYS A 5 -10.442 -12.625 1.205 1.00 0.00 C ATOM 59 CG LYS A 5 -10.487 -13.860 2.108 1.00 0.00 C ATOM 60 CD LYS A 5 -9.393 -14.840 1.685 1.00 0.00 C ATOM 61 CE LYS A 5 -10.016 -16.209 1.400 1.00 0.00 C ATOM 62 NZ LYS A 5 -10.249 -16.923 2.687 1.00 0.00 N ATOM 0 H LYS A 5 -11.564 -10.078 2.206 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.170 -11.776 2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.436 -12.412 0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.795 -12.812 0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.346 -13.568 3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.464 -14.338 2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.882 -14.469 0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.643 -14.926 2.472 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.957 -16.088 0.863 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.356 -16.795 0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.672 -17.854 2.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.344 -17.050 3.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.894 -16.365 3.282 1.00 0.00 H new ATOM 76 N SER A 6 -9.260 -9.180 1.498 1.00 0.00 N ATOM 77 CA SER A 6 -8.697 -8.107 0.639 1.00 0.00 C ATOM 78 C SER A 6 -7.423 -7.580 1.287 1.00 0.00 C ATOM 79 O SER A 6 -7.420 -7.187 2.433 1.00 0.00 O ATOM 80 CB SER A 6 -9.697 -6.957 0.530 1.00 0.00 C ATOM 81 OG SER A 6 -10.911 -7.427 -0.028 1.00 0.00 O ATOM 0 H SER A 6 -9.579 -8.876 2.418 1.00 0.00 H new ATOM 0 HA SER A 6 -8.487 -8.507 -0.353 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.881 -6.529 1.515 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.284 -6.162 -0.091 1.00 0.00 H new ATOM 0 HG SER A 6 -11.548 -7.622 0.691 1.00 0.00 H new ATOM 87 N TYR A 7 -6.336 -7.585 0.574 1.00 0.00 N ATOM 88 CA TYR A 7 -5.061 -7.090 1.178 1.00 0.00 C ATOM 89 C TYR A 7 -4.212 -6.328 0.148 1.00 0.00 C ATOM 90 O TYR A 7 -4.159 -6.677 -1.015 1.00 0.00 O ATOM 91 CB TYR A 7 -4.262 -8.281 1.712 1.00 0.00 C ATOM 92 CG TYR A 7 -4.384 -9.445 0.757 1.00 0.00 C ATOM 93 CD1 TYR A 7 -5.588 -10.154 0.664 1.00 0.00 C ATOM 94 CD2 TYR A 7 -3.290 -9.819 -0.032 1.00 0.00 C ATOM 95 CE1 TYR A 7 -5.698 -11.235 -0.220 1.00 0.00 C ATOM 96 CE2 TYR A 7 -3.399 -10.900 -0.916 1.00 0.00 C ATOM 97 CZ TYR A 7 -4.604 -11.607 -1.009 1.00 0.00 C ATOM 98 OH TYR A 7 -4.712 -12.674 -1.879 1.00 0.00 O ATOM 0 H TYR A 7 -6.269 -7.906 -0.392 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.309 -6.404 1.988 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.214 -8.004 1.831 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.631 -8.566 2.697 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.432 -9.867 1.274 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.361 -9.273 0.041 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.627 -11.781 -0.293 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.555 -11.188 -1.525 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.862 -12.798 -2.352 1.00 0.00 H new ATOM 108 N ALA A 8 -3.530 -5.298 0.590 1.00 0.00 N ATOM 109 CA ALA A 8 -2.651 -4.503 -0.326 1.00 0.00 C ATOM 110 C ALA A 8 -1.257 -4.430 0.283 1.00 0.00 C ATOM 111 O ALA A 8 -1.091 -4.044 1.423 1.00 0.00 O ATOM 112 CB ALA A 8 -3.192 -3.081 -0.480 1.00 0.00 C ATOM 0 H ALA A 8 -3.545 -4.971 1.556 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.624 -4.983 -1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.543 -2.515 -1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.199 -3.118 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.221 -2.595 0.495 1.00 0.00 H new ATOM 118 N GLU A 9 -0.247 -4.791 -0.454 1.00 0.00 N ATOM 119 CA GLU A 9 1.127 -4.726 0.119 1.00 0.00 C ATOM 120 C GLU A 9 2.133 -4.430 -0.986 1.00 0.00 C ATOM 121 O GLU A 9 1.997 -4.878 -2.111 1.00 0.00 O ATOM 122 CB GLU A 9 1.479 -6.060 0.787 1.00 0.00 C ATOM 123 CG GLU A 9 0.717 -7.198 0.105 1.00 0.00 C ATOM 124 CD GLU A 9 0.947 -8.499 0.878 1.00 0.00 C ATOM 125 OE1 GLU A 9 1.459 -8.424 1.983 1.00 0.00 O ATOM 126 OE2 GLU A 9 0.606 -9.545 0.352 1.00 0.00 O ATOM 0 H GLU A 9 -0.309 -5.124 -1.416 1.00 0.00 H new ATOM 0 HA GLU A 9 1.162 -3.931 0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.552 -6.238 0.721 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.226 -6.024 1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.348 -6.967 0.069 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.054 -7.310 -0.925 1.00 0.00 H new ATOM 133 N GLY A 10 3.138 -3.664 -0.678 1.00 0.00 N ATOM 134 CA GLY A 10 4.150 -3.333 -1.707 1.00 0.00 C ATOM 135 C GLY A 10 5.425 -2.816 -1.047 1.00 0.00 C ATOM 136 O GLY A 10 5.465 -2.608 0.149 1.00 0.00 O ATOM 0 H GLY A 10 3.300 -3.254 0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.374 -4.217 -2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.754 -2.580 -2.388 1.00 0.00 H new ATOM 140 N PRO A 11 6.417 -2.568 -1.866 1.00 0.00 N ATOM 141 CA PRO A 11 7.698 -2.002 -1.415 1.00 0.00 C ATOM 142 C PRO A 11 7.534 -0.484 -1.239 1.00 0.00 C ATOM 143 O PRO A 11 8.491 0.246 -1.078 1.00 0.00 O ATOM 144 CB PRO A 11 8.655 -2.313 -2.568 1.00 0.00 C ATOM 145 CG PRO A 11 7.772 -2.512 -3.823 1.00 0.00 C ATOM 146 CD PRO A 11 6.356 -2.843 -3.317 1.00 0.00 C ATOM 0 HA PRO A 11 8.052 -2.404 -0.465 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.363 -1.498 -2.716 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.239 -3.209 -2.358 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.763 -1.612 -4.437 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.159 -3.319 -4.445 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.603 -2.226 -3.808 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.095 -3.883 -3.515 1.00 0.00 H new ATOM 154 N GLY A 12 6.311 -0.019 -1.282 1.00 0.00 N ATOM 155 CA GLY A 12 6.025 1.429 -1.137 1.00 0.00 C ATOM 156 C GLY A 12 5.176 1.633 0.114 1.00 0.00 C ATOM 157 O GLY A 12 4.539 0.719 0.564 1.00 0.00 O ATOM 0 H GLY A 12 5.484 -0.601 -1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.955 1.993 -1.060 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.499 1.801 -2.016 1.00 0.00 H new ATOM 161 N LEU A 13 5.163 2.813 0.676 1.00 0.00 N ATOM 162 CA LEU A 13 4.332 3.063 1.899 1.00 0.00 C ATOM 163 C LEU A 13 5.084 2.638 3.154 1.00 0.00 C ATOM 164 O LEU A 13 4.630 2.836 4.263 1.00 0.00 O ATOM 165 CB LEU A 13 2.987 2.332 1.762 1.00 0.00 C ATOM 166 CG LEU A 13 2.908 1.005 2.555 1.00 0.00 C ATOM 167 CD1 LEU A 13 1.817 1.111 3.616 1.00 0.00 C ATOM 168 CD2 LEU A 13 2.544 -0.142 1.608 1.00 0.00 C ATOM 0 H LEU A 13 5.692 3.619 0.343 1.00 0.00 H new ATOM 0 HA LEU A 13 4.132 4.130 1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.190 2.994 2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.803 2.125 0.708 1.00 0.00 H new ATOM 0 HG LEU A 13 3.875 0.815 3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.761 0.177 4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.051 1.928 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.858 1.304 3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.489 -1.074 2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.578 0.060 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.305 -0.230 0.833 1.00 0.00 H new ATOM 180 N ASP A 14 6.242 2.084 2.988 1.00 0.00 N ATOM 181 CA ASP A 14 7.045 1.673 4.172 1.00 0.00 C ATOM 182 C ASP A 14 7.508 2.929 4.894 1.00 0.00 C ATOM 183 O ASP A 14 7.916 2.898 6.038 1.00 0.00 O ATOM 184 CB ASP A 14 8.274 0.919 3.707 1.00 0.00 C ATOM 185 CG ASP A 14 7.875 -0.133 2.670 1.00 0.00 C ATOM 186 OD1 ASP A 14 7.492 0.255 1.579 1.00 0.00 O ATOM 187 OD2 ASP A 14 7.963 -1.309 2.986 1.00 0.00 O ATOM 0 H ASP A 14 6.673 1.895 2.083 1.00 0.00 H new ATOM 0 HA ASP A 14 6.444 1.042 4.827 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.996 1.613 3.276 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.761 0.439 4.556 1.00 0.00 H new ATOM 192 N GLY A 15 7.445 4.038 4.218 1.00 0.00 N ATOM 193 CA GLY A 15 7.879 5.324 4.842 1.00 0.00 C ATOM 194 C GLY A 15 9.396 5.453 4.794 1.00 0.00 C ATOM 195 O GLY A 15 10.036 5.162 3.803 1.00 0.00 O ATOM 0 H GLY A 15 7.111 4.114 3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.420 6.163 4.319 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.537 5.368 5.876 1.00 0.00 H new ATOM 199 N GLY A 16 9.965 5.880 5.883 1.00 0.00 N ATOM 200 CA GLY A 16 11.447 6.032 5.959 1.00 0.00 C ATOM 201 C GLY A 16 11.947 7.164 5.066 1.00 0.00 C ATOM 202 O GLY A 16 12.380 8.195 5.542 1.00 0.00 O ATOM 0 H GLY A 16 9.464 6.134 6.734 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.740 6.226 6.991 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.924 5.098 5.663 1.00 0.00 H new ATOM 206 N GLU A 17 11.933 6.972 3.779 1.00 0.00 N ATOM 207 CA GLU A 17 12.458 8.032 2.879 1.00 0.00 C ATOM 208 C GLU A 17 11.384 8.540 1.922 1.00 0.00 C ATOM 209 O GLU A 17 10.544 7.799 1.450 1.00 0.00 O ATOM 210 CB GLU A 17 13.592 7.457 2.048 1.00 0.00 C ATOM 211 CG GLU A 17 14.855 7.328 2.902 1.00 0.00 C ATOM 212 CD GLU A 17 15.860 6.422 2.188 1.00 0.00 C ATOM 213 OE1 GLU A 17 15.710 6.231 0.992 1.00 0.00 O ATOM 214 OE2 GLU A 17 16.763 5.935 2.849 1.00 0.00 O ATOM 0 H GLU A 17 11.584 6.134 3.314 1.00 0.00 H new ATOM 0 HA GLU A 17 12.797 8.861 3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.307 6.481 1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.787 8.100 1.190 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.293 8.311 3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.606 6.914 3.879 1.00 0.00 H new ATOM 221 N CYS A 18 11.425 9.806 1.628 1.00 0.00 N ATOM 222 CA CYS A 18 10.421 10.399 0.684 1.00 0.00 C ATOM 223 C CYS A 18 10.937 10.259 -0.747 1.00 0.00 C ATOM 224 O CYS A 18 10.183 10.336 -1.696 1.00 0.00 O ATOM 225 CB CYS A 18 10.212 11.898 0.949 1.00 0.00 C ATOM 226 SG CYS A 18 8.796 12.154 2.052 1.00 0.00 S ATOM 0 H CYS A 18 12.110 10.465 1.998 1.00 0.00 H new ATOM 0 HA CYS A 18 9.479 9.870 0.830 1.00 0.00 H new ATOM 0 HB2 CYS A 18 11.111 12.323 1.396 1.00 0.00 H new ATOM 0 HB3 CYS A 18 10.046 12.421 0.007 1.00 0.00 H new ATOM 0 HG CYS A 18 8.984 13.230 2.757 1.00 0.00 H new ATOM 232 N PHE A 19 12.216 10.065 -0.915 1.00 0.00 N ATOM 233 CA PHE A 19 12.757 9.933 -2.296 1.00 0.00 C ATOM 234 C PHE A 19 12.702 8.480 -2.723 1.00 0.00 C ATOM 235 O PHE A 19 13.231 8.093 -3.746 1.00 0.00 O ATOM 236 CB PHE A 19 14.179 10.486 -2.371 1.00 0.00 C ATOM 237 CG PHE A 19 14.056 11.982 -2.373 1.00 0.00 C ATOM 238 CD1 PHE A 19 13.140 12.590 -3.237 1.00 0.00 C ATOM 239 CD2 PHE A 19 14.802 12.757 -1.484 1.00 0.00 C ATOM 240 CE1 PHE A 19 12.962 13.969 -3.207 1.00 0.00 C ATOM 241 CE2 PHE A 19 14.633 14.145 -1.464 1.00 0.00 C ATOM 242 CZ PHE A 19 13.707 14.746 -2.322 1.00 0.00 C ATOM 0 H PHE A 19 12.903 9.993 -0.165 1.00 0.00 H new ATOM 0 HA PHE A 19 12.145 10.518 -2.983 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.772 10.147 -1.522 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.684 10.137 -3.272 1.00 0.00 H new ATOM 0 HD1 PHE A 19 12.570 11.988 -3.929 1.00 0.00 H new ATOM 0 HD2 PHE A 19 15.507 12.287 -0.814 1.00 0.00 H new ATOM 0 HE1 PHE A 19 12.248 14.437 -3.868 1.00 0.00 H new ATOM 0 HE2 PHE A 19 15.217 14.751 -0.787 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.569 15.817 -2.299 1.00 0.00 H new ATOM 252 N GLN A 20 11.992 7.690 -1.977 1.00 0.00 N ATOM 253 CA GLN A 20 11.808 6.281 -2.359 1.00 0.00 C ATOM 254 C GLN A 20 10.447 6.241 -3.036 1.00 0.00 C ATOM 255 O GLN A 20 9.508 6.836 -2.547 1.00 0.00 O ATOM 256 CB GLN A 20 11.804 5.392 -1.112 1.00 0.00 C ATOM 257 CG GLN A 20 11.458 3.954 -1.506 1.00 0.00 C ATOM 258 CD GLN A 20 11.292 3.104 -0.244 1.00 0.00 C ATOM 259 OE1 GLN A 20 10.249 2.523 -0.021 1.00 0.00 O ATOM 260 NE2 GLN A 20 12.285 3.007 0.598 1.00 0.00 N ATOM 0 H GLN A 20 11.529 7.968 -1.112 1.00 0.00 H new ATOM 0 HA GLN A 20 12.605 5.919 -3.008 1.00 0.00 H new ATOM 0 HB2 GLN A 20 12.781 5.422 -0.629 1.00 0.00 H new ATOM 0 HB3 GLN A 20 11.079 5.766 -0.389 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.539 3.937 -2.092 1.00 0.00 H new ATOM 0 HG3 GLN A 20 12.245 3.539 -2.136 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.161 3.495 0.411 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.185 2.444 1.442 1.00 0.00 H new ATOM 269 N PRO A 21 10.369 5.583 -4.148 1.00 0.00 N ATOM 270 CA PRO A 21 9.117 5.515 -4.902 1.00 0.00 C ATOM 271 C PRO A 21 8.093 4.711 -4.116 1.00 0.00 C ATOM 272 O PRO A 21 8.403 3.680 -3.552 1.00 0.00 O ATOM 273 CB PRO A 21 9.523 4.838 -6.217 1.00 0.00 C ATOM 274 CG PRO A 21 10.846 4.093 -5.929 1.00 0.00 C ATOM 275 CD PRO A 21 11.488 4.820 -4.734 1.00 0.00 C ATOM 0 HA PRO A 21 8.649 6.482 -5.085 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.751 4.145 -6.552 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.656 5.575 -7.009 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.661 3.045 -5.695 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.503 4.114 -6.798 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.912 4.116 -4.018 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.297 5.477 -5.052 1.00 0.00 H new ATOM 283 N SER A 22 6.873 5.169 -4.056 1.00 0.00 N ATOM 284 CA SER A 22 5.866 4.410 -3.286 1.00 0.00 C ATOM 285 C SER A 22 4.965 3.677 -4.254 1.00 0.00 C ATOM 286 O SER A 22 4.186 4.279 -4.957 1.00 0.00 O ATOM 287 CB SER A 22 4.996 5.361 -2.502 1.00 0.00 C ATOM 288 OG SER A 22 5.804 6.349 -1.877 1.00 0.00 O ATOM 0 H SER A 22 6.539 6.024 -4.502 1.00 0.00 H new ATOM 0 HA SER A 22 6.379 3.721 -2.615 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.272 5.836 -3.164 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.429 4.813 -1.750 1.00 0.00 H new ATOM 0 HG SER A 22 5.284 6.806 -1.184 1.00 0.00 H new ATOM 294 N LYS A 23 5.049 2.385 -4.283 1.00 0.00 N ATOM 295 CA LYS A 23 4.177 1.610 -5.189 1.00 0.00 C ATOM 296 C LYS A 23 3.821 0.297 -4.515 1.00 0.00 C ATOM 297 O LYS A 23 4.666 -0.387 -3.977 1.00 0.00 O ATOM 298 CB LYS A 23 4.901 1.300 -6.490 1.00 0.00 C ATOM 299 CG LYS A 23 5.342 2.593 -7.177 1.00 0.00 C ATOM 300 CD LYS A 23 6.849 2.781 -7.002 1.00 0.00 C ATOM 301 CE LYS A 23 7.599 1.848 -7.955 1.00 0.00 C ATOM 302 NZ LYS A 23 8.632 2.623 -8.698 1.00 0.00 N ATOM 0 H LYS A 23 5.688 1.830 -3.714 1.00 0.00 H new ATOM 0 HA LYS A 23 3.283 2.195 -5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.770 0.673 -6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.246 0.734 -7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.091 2.557 -8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.808 3.443 -6.752 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.122 3.817 -7.202 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.134 2.570 -5.971 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.069 1.039 -7.395 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.901 1.388 -8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.927 2.089 -9.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.236 3.539 -8.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.456 2.782 -8.083 1.00 0.00 H new ATOM 316 N PHE A 24 2.582 -0.060 -4.548 1.00 0.00 N ATOM 317 CA PHE A 24 2.165 -1.342 -3.915 1.00 0.00 C ATOM 318 C PHE A 24 1.122 -2.018 -4.794 1.00 0.00 C ATOM 319 O PHE A 24 0.464 -1.380 -5.602 1.00 0.00 O ATOM 320 CB PHE A 24 1.587 -1.123 -2.507 1.00 0.00 C ATOM 321 CG PHE A 24 1.659 0.330 -2.134 1.00 0.00 C ATOM 322 CD1 PHE A 24 2.905 0.931 -1.983 1.00 0.00 C ATOM 323 CD2 PHE A 24 0.489 1.072 -1.951 1.00 0.00 C ATOM 324 CE1 PHE A 24 2.996 2.284 -1.654 1.00 0.00 C ATOM 325 CE2 PHE A 24 0.578 2.429 -1.616 1.00 0.00 C ATOM 326 CZ PHE A 24 1.835 3.032 -1.471 1.00 0.00 C ATOM 0 H PHE A 24 1.831 0.475 -4.985 1.00 0.00 H new ATOM 0 HA PHE A 24 3.048 -1.974 -3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.552 -1.463 -2.475 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.141 -1.719 -1.782 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.804 0.349 -2.121 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.477 0.603 -2.067 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.964 2.750 -1.542 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.321 3.010 -1.470 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.904 4.079 -1.217 1.00 0.00 H new ATOM 336 N LYS A 25 0.965 -3.304 -4.646 1.00 0.00 N ATOM 337 CA LYS A 25 -0.029 -4.024 -5.481 1.00 0.00 C ATOM 338 C LYS A 25 -1.140 -4.536 -4.575 1.00 0.00 C ATOM 339 O LYS A 25 -0.903 -4.986 -3.469 1.00 0.00 O ATOM 340 CB LYS A 25 0.646 -5.210 -6.176 1.00 0.00 C ATOM 341 CG LYS A 25 1.667 -4.696 -7.192 1.00 0.00 C ATOM 342 CD LYS A 25 1.194 -5.037 -8.606 1.00 0.00 C ATOM 343 CE LYS A 25 2.223 -4.537 -9.622 1.00 0.00 C ATOM 344 NZ LYS A 25 3.001 -5.692 -10.151 1.00 0.00 N ATOM 0 H LYS A 25 1.481 -3.884 -3.984 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.437 -3.352 -6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.139 -5.844 -5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.102 -5.825 -6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.789 -3.618 -7.088 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.642 -5.147 -7.004 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.061 -6.114 -8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.225 -4.577 -8.798 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.721 -4.018 -10.439 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.894 -3.818 -9.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.700 -5.352 -10.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.491 -6.168 -9.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.355 -6.363 -10.614 1.00 0.00 H new ATOM 358 N ILE A 26 -2.358 -4.447 -5.023 1.00 0.00 N ATOM 359 CA ILE A 26 -3.485 -4.900 -4.181 1.00 0.00 C ATOM 360 C ILE A 26 -4.066 -6.189 -4.746 1.00 0.00 C ATOM 361 O ILE A 26 -4.017 -6.442 -5.930 1.00 0.00 O ATOM 362 CB ILE A 26 -4.564 -3.823 -4.164 1.00 0.00 C ATOM 363 CG1 ILE A 26 -3.920 -2.471 -3.839 1.00 0.00 C ATOM 364 CG2 ILE A 26 -5.608 -4.167 -3.101 1.00 0.00 C ATOM 365 CD1 ILE A 26 -5.008 -1.410 -3.674 1.00 0.00 C ATOM 0 H ILE A 26 -2.618 -4.079 -5.938 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.129 -5.081 -3.167 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.048 -3.770 -5.139 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.331 -2.548 -2.925 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.235 -2.182 -4.636 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.380 -3.398 -3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.060 -5.131 -3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.129 -4.217 -2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.547 -0.449 -3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.578 -1.326 -4.600 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.676 -1.697 -2.862 1.00 0.00 H new ATOM 377 N HIS A 27 -4.617 -7.000 -3.897 1.00 0.00 N ATOM 378 CA HIS A 27 -5.212 -8.280 -4.362 1.00 0.00 C ATOM 379 C HIS A 27 -6.473 -8.584 -3.553 1.00 0.00 C ATOM 380 O HIS A 27 -6.424 -8.809 -2.355 1.00 0.00 O ATOM 381 CB HIS A 27 -4.201 -9.409 -4.178 1.00 0.00 C ATOM 382 CG HIS A 27 -2.845 -8.908 -4.567 1.00 0.00 C ATOM 383 ND1 HIS A 27 -2.221 -7.887 -3.876 1.00 0.00 N ATOM 384 CD2 HIS A 27 -1.990 -9.253 -5.585 1.00 0.00 C ATOM 385 CE1 HIS A 27 -1.048 -7.649 -4.478 1.00 0.00 C ATOM 386 NE2 HIS A 27 -0.852 -8.454 -5.526 1.00 0.00 N ATOM 0 H HIS A 27 -4.683 -6.832 -2.893 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.473 -8.195 -5.417 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.196 -9.746 -3.142 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.477 -10.267 -4.791 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.173 -10.025 -6.318 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.345 -6.896 -4.155 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -0.044 -8.478 -6.148 1.00 0.00 H new ATOM 394 N ALA A 28 -7.603 -8.579 -4.202 1.00 0.00 N ATOM 395 CA ALA A 28 -8.879 -8.864 -3.485 1.00 0.00 C ATOM 396 C ALA A 28 -9.317 -10.312 -3.745 1.00 0.00 C ATOM 397 O ALA A 28 -9.104 -10.852 -4.808 1.00 0.00 O ATOM 398 CB ALA A 28 -9.960 -7.912 -4.002 1.00 0.00 C ATOM 0 H ALA A 28 -7.699 -8.390 -5.200 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.732 -8.723 -2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.898 -8.111 -3.484 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.656 -6.882 -3.818 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.097 -8.064 -5.073 1.00 0.00 H new ATOM 404 N VAL A 29 -9.952 -10.940 -2.787 1.00 0.00 N ATOM 405 CA VAL A 29 -10.429 -12.334 -2.992 1.00 0.00 C ATOM 406 C VAL A 29 -11.882 -12.410 -2.519 1.00 0.00 C ATOM 407 O VAL A 29 -12.191 -12.175 -1.367 1.00 0.00 O ATOM 408 CB VAL A 29 -9.546 -13.320 -2.209 1.00 0.00 C ATOM 409 CG1 VAL A 29 -10.370 -14.528 -1.742 1.00 0.00 C ATOM 410 CG2 VAL A 29 -8.427 -13.813 -3.125 1.00 0.00 C ATOM 0 H VAL A 29 -10.159 -10.543 -1.871 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.369 -12.605 -4.046 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.135 -12.812 -1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.728 -15.215 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.179 -14.188 -1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.788 -15.040 -2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.793 -14.513 -2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.860 -14.313 -3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.828 -12.965 -3.457 1.00 0.00 H new ATOM 420 N ASP A 30 -12.769 -12.732 -3.407 1.00 0.00 N ATOM 421 CA ASP A 30 -14.205 -12.824 -3.040 1.00 0.00 C ATOM 422 C ASP A 30 -14.544 -14.297 -2.789 1.00 0.00 C ATOM 423 O ASP A 30 -13.661 -15.131 -2.783 1.00 0.00 O ATOM 424 CB ASP A 30 -15.034 -12.230 -4.189 1.00 0.00 C ATOM 425 CG ASP A 30 -15.415 -13.314 -5.203 1.00 0.00 C ATOM 426 OD1 ASP A 30 -14.579 -14.157 -5.483 1.00 0.00 O ATOM 427 OD2 ASP A 30 -16.537 -13.283 -5.682 1.00 0.00 O ATOM 0 H ASP A 30 -12.561 -12.938 -4.384 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.430 -12.264 -2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.936 -11.766 -3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.464 -11.445 -4.686 1.00 0.00 H new ATOM 432 N PRO A 31 -15.802 -14.583 -2.576 1.00 0.00 N ATOM 433 CA PRO A 31 -16.252 -15.956 -2.311 1.00 0.00 C ATOM 434 C PRO A 31 -16.365 -16.770 -3.607 1.00 0.00 C ATOM 435 O PRO A 31 -17.051 -17.773 -3.650 1.00 0.00 O ATOM 436 CB PRO A 31 -17.626 -15.763 -1.663 1.00 0.00 C ATOM 437 CG PRO A 31 -18.124 -14.366 -2.101 1.00 0.00 C ATOM 438 CD PRO A 31 -16.887 -13.579 -2.573 1.00 0.00 C ATOM 0 HA PRO A 31 -15.557 -16.511 -1.681 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -18.319 -16.540 -1.984 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.556 -15.827 -0.577 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.857 -14.451 -2.903 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.615 -13.854 -1.274 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -17.040 -13.154 -3.565 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.662 -12.750 -1.902 1.00 0.00 H new ATOM 446 N ASP A 32 -15.705 -16.367 -4.666 1.00 0.00 N ATOM 447 CA ASP A 32 -15.806 -17.158 -5.926 1.00 0.00 C ATOM 448 C ASP A 32 -14.407 -17.561 -6.394 1.00 0.00 C ATOM 449 O ASP A 32 -14.210 -17.958 -7.525 1.00 0.00 O ATOM 450 CB ASP A 32 -16.482 -16.312 -7.009 1.00 0.00 C ATOM 451 CG ASP A 32 -18.000 -16.450 -6.892 1.00 0.00 C ATOM 452 OD1 ASP A 32 -18.445 -17.449 -6.351 1.00 0.00 O ATOM 453 OD2 ASP A 32 -18.693 -15.554 -7.347 1.00 0.00 O ATOM 0 H ASP A 32 -15.111 -15.539 -4.711 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.398 -18.054 -5.742 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -16.192 -15.267 -6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.152 -16.635 -7.996 1.00 0.00 H new ATOM 458 N GLY A 33 -13.426 -17.434 -5.542 1.00 0.00 N ATOM 459 CA GLY A 33 -12.039 -17.780 -5.954 1.00 0.00 C ATOM 460 C GLY A 33 -11.617 -16.724 -6.956 1.00 0.00 C ATOM 461 O GLY A 33 -10.900 -16.979 -7.903 1.00 0.00 O ATOM 0 H GLY A 33 -13.526 -17.106 -4.581 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.369 -17.790 -5.094 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.002 -18.775 -6.398 1.00 0.00 H new ATOM 465 N VAL A 34 -12.107 -15.535 -6.755 1.00 0.00 N ATOM 466 CA VAL A 34 -11.808 -14.424 -7.686 1.00 0.00 C ATOM 467 C VAL A 34 -11.763 -13.116 -6.897 1.00 0.00 C ATOM 468 O VAL A 34 -12.282 -13.029 -5.801 1.00 0.00 O ATOM 469 CB VAL A 34 -12.932 -14.347 -8.728 1.00 0.00 C ATOM 470 CG1 VAL A 34 -12.349 -13.927 -10.073 1.00 0.00 C ATOM 471 CG2 VAL A 34 -13.608 -15.717 -8.873 1.00 0.00 C ATOM 0 H VAL A 34 -12.711 -15.286 -5.972 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.850 -14.588 -8.180 1.00 0.00 H new ATOM 0 HB VAL A 34 -13.671 -13.615 -8.402 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -13.146 -13.872 -10.814 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.876 -12.950 -9.975 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -11.607 -14.659 -10.392 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -14.404 -15.653 -9.614 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.872 -16.454 -9.194 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -14.029 -16.018 -7.914 1.00 0.00 H new ATOM 481 N HIS A 35 -11.173 -12.092 -7.444 1.00 0.00 N ATOM 482 CA HIS A 35 -11.133 -10.793 -6.717 1.00 0.00 C ATOM 483 C HIS A 35 -12.485 -10.105 -6.908 1.00 0.00 C ATOM 484 O HIS A 35 -12.577 -8.992 -7.387 1.00 0.00 O ATOM 485 CB HIS A 35 -10.006 -9.917 -7.273 1.00 0.00 C ATOM 486 CG HIS A 35 -8.780 -10.760 -7.503 1.00 0.00 C ATOM 487 ND1 HIS A 35 -7.647 -10.664 -6.707 1.00 0.00 N ATOM 488 CD2 HIS A 35 -8.492 -11.716 -8.445 1.00 0.00 C ATOM 489 CE1 HIS A 35 -6.744 -11.543 -7.180 1.00 0.00 C ATOM 490 NE2 HIS A 35 -7.208 -12.208 -8.240 1.00 0.00 N ATOM 0 H HIS A 35 -10.719 -12.097 -8.357 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.942 -10.955 -5.656 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.320 -9.451 -8.207 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.780 -9.111 -6.575 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.162 -12.038 -9.228 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.763 -11.692 -6.753 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.725 -12.923 -8.783 1.00 0.00 H new ATOM 498 N ARG A 36 -13.535 -10.789 -6.546 1.00 0.00 N ATOM 499 CA ARG A 36 -14.902 -10.237 -6.701 1.00 0.00 C ATOM 500 C ARG A 36 -15.209 -10.096 -8.187 1.00 0.00 C ATOM 501 O ARG A 36 -15.411 -9.009 -8.691 1.00 0.00 O ATOM 502 CB ARG A 36 -14.999 -8.873 -6.018 1.00 0.00 C ATOM 503 CG ARG A 36 -16.361 -8.757 -5.337 1.00 0.00 C ATOM 504 CD ARG A 36 -16.640 -7.294 -4.986 1.00 0.00 C ATOM 505 NE ARG A 36 -17.316 -6.629 -6.136 1.00 0.00 N ATOM 506 CZ ARG A 36 -18.585 -6.843 -6.357 1.00 0.00 C ATOM 507 NH1 ARG A 36 -19.479 -6.391 -5.521 1.00 0.00 N ATOM 508 NH2 ARG A 36 -18.959 -7.507 -7.416 1.00 0.00 N ATOM 0 H ARG A 36 -13.498 -11.725 -6.142 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.623 -10.909 -6.236 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.200 -8.761 -5.285 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.874 -8.075 -6.750 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -17.141 -9.138 -5.996 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -16.380 -9.367 -4.434 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.268 -7.235 -4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.707 -6.781 -4.752 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.788 -6.008 -6.749 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -19.187 -5.870 -4.694 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -20.470 -6.559 -5.694 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -18.260 -7.859 -8.071 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.950 -7.675 -7.589 1.00 0.00 H new ATOM 522 N THR A 37 -15.240 -11.189 -8.898 1.00 0.00 N ATOM 523 CA THR A 37 -15.525 -11.110 -10.356 1.00 0.00 C ATOM 524 C THR A 37 -14.679 -9.984 -10.962 1.00 0.00 C ATOM 525 O THR A 37 -15.098 -8.843 -10.997 1.00 0.00 O ATOM 526 CB THR A 37 -17.010 -10.805 -10.570 1.00 0.00 C ATOM 527 OG1 THR A 37 -17.415 -9.774 -9.680 1.00 0.00 O ATOM 528 CG2 THR A 37 -17.831 -12.066 -10.301 1.00 0.00 C ATOM 0 H THR A 37 -15.081 -12.128 -8.534 1.00 0.00 H new ATOM 0 HA THR A 37 -15.281 -12.058 -10.835 1.00 0.00 H new ATOM 0 HB THR A 37 -17.171 -10.479 -11.598 1.00 0.00 H new ATOM 0 HG1 THR A 37 -16.736 -9.067 -9.668 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.889 -11.851 -10.453 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.520 -12.856 -10.985 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.671 -12.392 -9.273 1.00 0.00 H new ATOM 536 N ASP A 38 -13.488 -10.286 -11.425 1.00 0.00 N ATOM 537 CA ASP A 38 -12.619 -9.224 -12.013 1.00 0.00 C ATOM 538 C ASP A 38 -13.465 -8.265 -12.850 1.00 0.00 C ATOM 539 O ASP A 38 -14.530 -8.612 -13.323 1.00 0.00 O ATOM 540 CB ASP A 38 -11.553 -9.871 -12.901 1.00 0.00 C ATOM 541 CG ASP A 38 -10.189 -9.249 -12.591 1.00 0.00 C ATOM 542 OD1 ASP A 38 -10.149 -8.059 -12.326 1.00 0.00 O ATOM 543 OD2 ASP A 38 -9.209 -9.974 -12.624 1.00 0.00 O ATOM 0 H ASP A 38 -13.083 -11.222 -11.420 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.137 -8.669 -11.208 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.523 -10.947 -12.727 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.802 -9.725 -13.952 1.00 0.00 H new ATOM 548 N GLY A 39 -13.000 -7.060 -13.036 1.00 0.00 N ATOM 549 CA GLY A 39 -13.782 -6.081 -13.842 1.00 0.00 C ATOM 550 C GLY A 39 -14.794 -5.355 -12.947 1.00 0.00 C ATOM 551 O GLY A 39 -15.059 -4.184 -13.129 1.00 0.00 O ATOM 0 H GLY A 39 -12.115 -6.712 -12.666 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.109 -5.359 -14.305 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.302 -6.596 -14.650 1.00 0.00 H new ATOM 555 N GLY A 40 -15.370 -6.036 -11.987 1.00 0.00 N ATOM 556 CA GLY A 40 -16.368 -5.367 -11.102 1.00 0.00 C ATOM 557 C GLY A 40 -15.960 -5.517 -9.632 1.00 0.00 C ATOM 558 O GLY A 40 -16.694 -6.062 -8.832 1.00 0.00 O ATOM 0 H GLY A 40 -15.193 -7.019 -11.780 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -16.442 -4.311 -11.360 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.354 -5.804 -11.259 1.00 0.00 H new ATOM 562 N ASP A 41 -14.805 -5.028 -9.263 1.00 0.00 N ATOM 563 CA ASP A 41 -14.374 -5.136 -7.837 1.00 0.00 C ATOM 564 C ASP A 41 -14.516 -3.769 -7.170 1.00 0.00 C ATOM 565 O ASP A 41 -13.902 -2.805 -7.586 1.00 0.00 O ATOM 566 CB ASP A 41 -12.907 -5.573 -7.770 1.00 0.00 C ATOM 567 CG ASP A 41 -12.654 -6.680 -8.795 1.00 0.00 C ATOM 568 OD1 ASP A 41 -13.620 -7.179 -9.348 1.00 0.00 O ATOM 569 OD2 ASP A 41 -11.498 -7.009 -9.009 1.00 0.00 O ATOM 0 H ASP A 41 -14.144 -4.561 -9.884 1.00 0.00 H new ATOM 0 HA ASP A 41 -14.995 -5.871 -7.325 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.254 -4.723 -7.969 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.669 -5.930 -6.768 1.00 0.00 H new ATOM 574 N GLY A 42 -15.306 -3.670 -6.135 1.00 0.00 N ATOM 575 CA GLY A 42 -15.459 -2.357 -5.445 1.00 0.00 C ATOM 576 C GLY A 42 -14.140 -2.026 -4.749 1.00 0.00 C ATOM 577 O GLY A 42 -14.071 -1.910 -3.542 1.00 0.00 O ATOM 0 H GLY A 42 -15.849 -4.437 -5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.716 -1.578 -6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.271 -2.402 -4.719 1.00 0.00 H new ATOM 581 N PHE A 43 -13.087 -1.899 -5.507 1.00 0.00 N ATOM 582 CA PHE A 43 -11.761 -1.607 -4.905 1.00 0.00 C ATOM 583 C PHE A 43 -11.436 -0.123 -5.026 1.00 0.00 C ATOM 584 O PHE A 43 -11.188 0.388 -6.100 1.00 0.00 O ATOM 585 CB PHE A 43 -10.692 -2.406 -5.645 1.00 0.00 C ATOM 586 CG PHE A 43 -9.877 -3.217 -4.666 1.00 0.00 C ATOM 587 CD1 PHE A 43 -9.536 -2.688 -3.414 1.00 0.00 C ATOM 588 CD2 PHE A 43 -9.453 -4.500 -5.023 1.00 0.00 C ATOM 589 CE1 PHE A 43 -8.768 -3.450 -2.523 1.00 0.00 C ATOM 590 CE2 PHE A 43 -8.688 -5.261 -4.134 1.00 0.00 C ATOM 591 CZ PHE A 43 -8.345 -4.736 -2.883 1.00 0.00 C ATOM 0 H PHE A 43 -13.090 -1.986 -6.523 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.784 -1.883 -3.851 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.161 -3.067 -6.374 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.041 -1.730 -6.199 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.864 -1.697 -3.137 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.717 -4.905 -5.989 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.502 -3.045 -1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.362 -6.252 -4.412 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.754 -5.322 -2.195 1.00 0.00 H new ATOM 601 N VAL A 44 -11.393 0.559 -3.924 1.00 0.00 N ATOM 602 CA VAL A 44 -11.036 2.001 -3.956 1.00 0.00 C ATOM 603 C VAL A 44 -9.831 2.198 -3.037 1.00 0.00 C ATOM 604 O VAL A 44 -9.924 2.048 -1.835 1.00 0.00 O ATOM 605 CB VAL A 44 -12.223 2.871 -3.485 1.00 0.00 C ATOM 606 CG1 VAL A 44 -13.098 2.095 -2.499 1.00 0.00 C ATOM 607 CG2 VAL A 44 -11.708 4.146 -2.802 1.00 0.00 C ATOM 0 H VAL A 44 -11.590 0.181 -2.997 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.795 2.307 -4.974 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.816 3.138 -4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.929 2.723 -2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.486 1.199 -2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.503 1.809 -1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.554 4.750 -2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.099 3.876 -1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.105 4.718 -3.507 1.00 0.00 H new ATOM 617 N VAL A 45 -8.704 2.536 -3.591 1.00 0.00 N ATOM 618 CA VAL A 45 -7.505 2.743 -2.742 1.00 0.00 C ATOM 619 C VAL A 45 -6.941 4.125 -3.006 1.00 0.00 C ATOM 620 O VAL A 45 -7.034 4.650 -4.099 1.00 0.00 O ATOM 621 CB VAL A 45 -6.446 1.688 -3.056 1.00 0.00 C ATOM 622 CG1 VAL A 45 -5.192 1.961 -2.222 1.00 0.00 C ATOM 623 CG2 VAL A 45 -6.996 0.304 -2.708 1.00 0.00 C ATOM 0 H VAL A 45 -8.562 2.677 -4.591 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.788 2.653 -1.693 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.193 1.727 -4.115 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.436 1.209 -2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.803 2.950 -2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.444 1.919 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.244 -0.453 -2.930 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.245 0.268 -1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.892 0.110 -3.298 1.00 0.00 H new ATOM 633 N THR A 46 -6.366 4.728 -2.014 1.00 0.00 N ATOM 634 CA THR A 46 -5.809 6.083 -2.214 1.00 0.00 C ATOM 635 C THR A 46 -4.779 6.400 -1.136 1.00 0.00 C ATOM 636 O THR A 46 -4.978 6.148 0.039 1.00 0.00 O ATOM 637 CB THR A 46 -6.941 7.110 -2.158 1.00 0.00 C ATOM 638 OG1 THR A 46 -8.190 6.434 -2.117 1.00 0.00 O ATOM 639 CG2 THR A 46 -6.881 8.000 -3.400 1.00 0.00 C ATOM 0 H THR A 46 -6.258 4.343 -1.076 1.00 0.00 H new ATOM 0 HA THR A 46 -5.320 6.124 -3.188 1.00 0.00 H new ATOM 0 HB THR A 46 -6.832 7.726 -1.265 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.916 7.091 -2.080 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.687 8.733 -3.362 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.922 8.517 -3.431 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.991 7.386 -4.294 1.00 0.00 H new ATOM 647 N ILE A 47 -3.692 6.982 -1.537 1.00 0.00 N ATOM 648 CA ILE A 47 -2.638 7.374 -0.572 1.00 0.00 C ATOM 649 C ILE A 47 -2.468 8.877 -0.643 1.00 0.00 C ATOM 650 O ILE A 47 -2.767 9.502 -1.640 1.00 0.00 O ATOM 651 CB ILE A 47 -1.292 6.730 -0.924 1.00 0.00 C ATOM 652 CG1 ILE A 47 -1.221 5.304 -0.354 1.00 0.00 C ATOM 653 CG2 ILE A 47 -0.152 7.588 -0.339 1.00 0.00 C ATOM 654 CD1 ILE A 47 0.224 5.008 0.057 1.00 0.00 C ATOM 0 H ILE A 47 -3.485 7.207 -2.510 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.937 7.044 0.423 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.190 6.676 -2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.885 5.208 0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.557 4.583 -1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.808 7.135 -0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.199 8.592 -0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.258 7.645 0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.287 3.998 0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.874 5.090 -0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.541 5.725 0.815 1.00 0.00 H new ATOM 666 N GLU A 48 -1.950 9.461 0.388 1.00 0.00 N ATOM 667 CA GLU A 48 -1.723 10.921 0.326 1.00 0.00 C ATOM 668 C GLU A 48 -0.883 11.385 1.518 1.00 0.00 C ATOM 669 O GLU A 48 -0.972 10.859 2.612 1.00 0.00 O ATOM 670 CB GLU A 48 -3.066 11.659 0.323 1.00 0.00 C ATOM 671 CG GLU A 48 -4.115 10.824 1.063 1.00 0.00 C ATOM 672 CD GLU A 48 -5.175 11.748 1.665 1.00 0.00 C ATOM 673 OE1 GLU A 48 -4.893 12.925 1.811 1.00 0.00 O ATOM 674 OE2 GLU A 48 -6.252 11.262 1.970 1.00 0.00 O ATOM 0 H GLU A 48 -1.677 9.002 1.257 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.183 11.148 -0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.958 12.632 0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.389 11.842 -0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.582 10.117 0.377 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.639 10.238 1.850 1.00 0.00 H new ATOM 681 N GLY A 49 -0.072 12.376 1.296 1.00 0.00 N ATOM 682 CA GLY A 49 0.793 12.925 2.376 1.00 0.00 C ATOM 683 C GLY A 49 1.048 14.406 2.082 1.00 0.00 C ATOM 684 O GLY A 49 0.420 14.977 1.213 1.00 0.00 O ATOM 0 H GLY A 49 0.031 12.840 0.393 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.309 12.808 3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.735 12.379 2.422 1.00 0.00 H new ATOM 688 N PRO A 50 1.964 14.985 2.810 1.00 0.00 N ATOM 689 CA PRO A 50 2.323 16.404 2.642 1.00 0.00 C ATOM 690 C PRO A 50 3.215 16.586 1.408 1.00 0.00 C ATOM 691 O PRO A 50 4.392 16.867 1.519 1.00 0.00 O ATOM 692 CB PRO A 50 3.084 16.736 3.928 1.00 0.00 C ATOM 693 CG PRO A 50 3.603 15.390 4.486 1.00 0.00 C ATOM 694 CD PRO A 50 2.726 14.287 3.863 1.00 0.00 C ATOM 0 HA PRO A 50 1.460 17.052 2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.910 17.417 3.726 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.432 17.230 4.649 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.652 15.243 4.228 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.536 15.370 5.574 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.333 13.482 3.449 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.064 13.838 4.603 1.00 0.00 H new ATOM 702 N ALA A 51 2.664 16.426 0.235 1.00 0.00 N ATOM 703 CA ALA A 51 3.485 16.587 -0.998 1.00 0.00 C ATOM 704 C ALA A 51 2.564 16.920 -2.179 1.00 0.00 C ATOM 705 O ALA A 51 1.366 17.028 -2.012 1.00 0.00 O ATOM 706 CB ALA A 51 4.240 15.285 -1.267 1.00 0.00 C ATOM 0 H ALA A 51 1.684 16.191 0.078 1.00 0.00 H new ATOM 0 HA ALA A 51 4.202 17.397 -0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.844 15.394 -2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.889 15.059 -0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.527 14.472 -1.404 1.00 0.00 H new ATOM 712 N PRO A 52 3.150 17.081 -3.341 1.00 0.00 N ATOM 713 CA PRO A 52 2.398 17.412 -4.568 1.00 0.00 C ATOM 714 C PRO A 52 1.666 16.178 -5.111 1.00 0.00 C ATOM 715 O PRO A 52 0.465 16.190 -5.292 1.00 0.00 O ATOM 716 CB PRO A 52 3.483 17.891 -5.535 1.00 0.00 C ATOM 717 CG PRO A 52 4.818 17.297 -5.028 1.00 0.00 C ATOM 718 CD PRO A 52 4.610 16.947 -3.543 1.00 0.00 C ATOM 0 HA PRO A 52 1.623 18.161 -4.406 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.271 17.558 -6.551 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.527 18.980 -5.559 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.089 16.410 -5.600 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.631 18.014 -5.147 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.952 15.936 -3.320 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.166 17.622 -2.893 1.00 0.00 H new ATOM 726 N VAL A 53 2.373 15.111 -5.361 1.00 0.00 N ATOM 727 CA VAL A 53 1.704 13.882 -5.881 1.00 0.00 C ATOM 728 C VAL A 53 1.257 13.029 -4.689 1.00 0.00 C ATOM 729 O VAL A 53 1.969 12.144 -4.255 1.00 0.00 O ATOM 730 CB VAL A 53 2.693 13.082 -6.730 1.00 0.00 C ATOM 731 CG1 VAL A 53 2.006 11.824 -7.262 1.00 0.00 C ATOM 732 CG2 VAL A 53 3.163 13.939 -7.906 1.00 0.00 C ATOM 0 H VAL A 53 3.382 15.035 -5.229 1.00 0.00 H new ATOM 0 HA VAL A 53 0.844 14.157 -6.492 1.00 0.00 H new ATOM 0 HB VAL A 53 3.550 12.799 -6.119 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.710 11.253 -7.867 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.668 11.213 -6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.149 12.108 -7.873 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.868 13.370 -8.512 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.305 14.221 -8.516 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.651 14.838 -7.529 1.00 0.00 H new ATOM 742 N ASP A 54 0.104 13.298 -4.129 1.00 0.00 N ATOM 743 CA ASP A 54 -0.333 12.508 -2.948 1.00 0.00 C ATOM 744 C ASP A 54 -1.321 11.385 -3.345 1.00 0.00 C ATOM 745 O ASP A 54 -1.065 10.236 -3.046 1.00 0.00 O ATOM 746 CB ASP A 54 -0.950 13.460 -1.911 1.00 0.00 C ATOM 747 CG ASP A 54 0.158 14.305 -1.271 1.00 0.00 C ATOM 748 OD1 ASP A 54 1.222 13.761 -1.021 1.00 0.00 O ATOM 749 OD2 ASP A 54 -0.077 15.481 -1.039 1.00 0.00 O ATOM 0 H ASP A 54 -0.544 14.023 -4.437 1.00 0.00 H new ATOM 0 HA ASP A 54 0.534 12.014 -2.510 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.686 14.107 -2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.476 12.890 -1.145 1.00 0.00 H new ATOM 754 N PRO A 55 -2.421 11.722 -3.992 1.00 0.00 N ATOM 755 CA PRO A 55 -3.432 10.716 -4.402 1.00 0.00 C ATOM 756 C PRO A 55 -3.028 10.009 -5.705 1.00 0.00 C ATOM 757 O PRO A 55 -2.938 10.629 -6.747 1.00 0.00 O ATOM 758 CB PRO A 55 -4.688 11.555 -4.644 1.00 0.00 C ATOM 759 CG PRO A 55 -4.200 12.993 -4.940 1.00 0.00 C ATOM 760 CD PRO A 55 -2.771 13.106 -4.372 1.00 0.00 C ATOM 0 HA PRO A 55 -3.558 9.932 -3.655 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.264 11.160 -5.481 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.341 11.538 -3.771 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.206 13.190 -6.012 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.859 13.728 -4.477 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.078 13.503 -5.114 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.736 13.776 -3.513 1.00 0.00 H new ATOM 768 N VAL A 56 -2.783 8.722 -5.668 1.00 0.00 N ATOM 769 CA VAL A 56 -2.392 8.013 -6.910 1.00 0.00 C ATOM 770 C VAL A 56 -2.857 6.559 -6.872 1.00 0.00 C ATOM 771 O VAL A 56 -2.230 5.721 -6.256 1.00 0.00 O ATOM 772 CB VAL A 56 -0.889 7.999 -6.994 1.00 0.00 C ATOM 773 CG1 VAL A 56 -0.470 7.510 -8.385 1.00 0.00 C ATOM 774 CG2 VAL A 56 -0.342 9.409 -6.755 1.00 0.00 C ATOM 0 H VAL A 56 -2.838 8.140 -4.832 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.845 8.522 -7.760 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.487 7.330 -6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.618 7.497 -8.454 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.856 6.504 -8.548 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.873 8.181 -9.143 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.746 9.392 -6.817 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.738 10.086 -7.512 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.644 9.754 -5.766 1.00 0.00 H new ATOM 784 N MET A 57 -3.925 6.236 -7.536 1.00 0.00 N ATOM 785 CA MET A 57 -4.371 4.816 -7.531 1.00 0.00 C ATOM 786 C MET A 57 -4.890 4.403 -8.910 1.00 0.00 C ATOM 787 O MET A 57 -5.632 5.119 -9.553 1.00 0.00 O ATOM 788 CB MET A 57 -5.443 4.608 -6.461 1.00 0.00 C ATOM 789 CG MET A 57 -6.776 5.185 -6.942 1.00 0.00 C ATOM 790 SD MET A 57 -6.684 6.992 -6.972 1.00 0.00 S ATOM 791 CE MET A 57 -8.071 7.272 -8.100 1.00 0.00 C ATOM 0 H MET A 57 -4.503 6.880 -8.075 1.00 0.00 H new ATOM 0 HA MET A 57 -3.516 4.183 -7.295 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.553 3.545 -6.246 1.00 0.00 H new ATOM 0 HB3 MET A 57 -5.141 5.092 -5.532 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.009 4.807 -7.937 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.582 4.863 -6.282 1.00 0.00 H new ATOM 0 HE1 MET A 57 -8.197 8.342 -8.263 1.00 0.00 H new ATOM 0 HE2 MET A 57 -7.870 6.781 -9.052 1.00 0.00 H new ATOM 0 HE3 MET A 57 -8.982 6.861 -7.665 1.00 0.00 H new ATOM 801 N VAL A 58 -4.488 3.242 -9.365 1.00 0.00 N ATOM 802 CA VAL A 58 -4.931 2.753 -10.703 1.00 0.00 C ATOM 803 C VAL A 58 -5.409 1.299 -10.585 1.00 0.00 C ATOM 804 O VAL A 58 -5.019 0.574 -9.685 1.00 0.00 O ATOM 805 CB VAL A 58 -3.770 2.807 -11.703 1.00 0.00 C ATOM 806 CG1 VAL A 58 -4.274 3.353 -13.041 1.00 0.00 C ATOM 807 CG2 VAL A 58 -2.655 3.716 -11.173 1.00 0.00 C ATOM 0 H VAL A 58 -3.867 2.609 -8.861 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.742 3.391 -11.054 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.375 1.800 -11.839 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.449 3.392 -13.752 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.057 2.701 -13.428 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.676 4.356 -12.897 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.837 3.746 -11.893 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.046 4.723 -11.026 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.289 3.327 -10.223 1.00 0.00 H new ATOM 817 N ASP A 59 -6.248 0.868 -11.493 1.00 0.00 N ATOM 818 CA ASP A 59 -6.759 -0.533 -11.445 1.00 0.00 C ATOM 819 C ASP A 59 -6.227 -1.323 -12.646 1.00 0.00 C ATOM 820 O ASP A 59 -6.263 -0.862 -13.769 1.00 0.00 O ATOM 821 CB ASP A 59 -8.290 -0.515 -11.489 1.00 0.00 C ATOM 822 CG ASP A 59 -8.815 -1.921 -11.795 1.00 0.00 C ATOM 823 OD1 ASP A 59 -8.100 -2.872 -11.519 1.00 0.00 O ATOM 824 OD2 ASP A 59 -9.921 -2.024 -12.299 1.00 0.00 O ATOM 0 H ASP A 59 -6.601 1.429 -12.268 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.421 -1.008 -10.524 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.687 -0.168 -10.535 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.633 0.185 -12.250 1.00 0.00 H new ATOM 829 N ASN A 60 -5.734 -2.512 -12.416 1.00 0.00 N ATOM 830 CA ASN A 60 -5.203 -3.329 -13.548 1.00 0.00 C ATOM 831 C ASN A 60 -6.318 -4.187 -14.158 1.00 0.00 C ATOM 832 O ASN A 60 -6.159 -4.747 -15.225 1.00 0.00 O ATOM 833 CB ASN A 60 -4.078 -4.235 -13.038 1.00 0.00 C ATOM 834 CG ASN A 60 -3.247 -4.735 -14.220 1.00 0.00 C ATOM 835 OD1 ASN A 60 -3.777 -5.009 -15.279 1.00 0.00 O ATOM 836 ND2 ASN A 60 -1.955 -4.867 -14.085 1.00 0.00 N ATOM 0 H ASN A 60 -5.676 -2.951 -11.497 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.817 -2.659 -14.316 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.444 -3.687 -12.341 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.497 -5.080 -12.492 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.392 -5.200 -14.868 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.509 -4.637 -13.197 1.00 0.00 H new ATOM 843 N GLY A 61 -7.446 -4.289 -13.511 1.00 0.00 N ATOM 844 CA GLY A 61 -8.551 -5.099 -14.085 1.00 0.00 C ATOM 845 C GLY A 61 -8.251 -6.591 -13.919 1.00 0.00 C ATOM 846 O GLY A 61 -8.969 -7.434 -14.421 1.00 0.00 O ATOM 0 H GLY A 61 -7.648 -3.848 -12.614 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.489 -4.851 -13.589 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.676 -4.861 -15.141 1.00 0.00 H new ATOM 850 N ASP A 62 -7.198 -6.929 -13.226 1.00 0.00 N ATOM 851 CA ASP A 62 -6.866 -8.370 -13.043 1.00 0.00 C ATOM 852 C ASP A 62 -7.122 -8.781 -11.590 1.00 0.00 C ATOM 853 O ASP A 62 -6.462 -9.651 -11.057 1.00 0.00 O ATOM 854 CB ASP A 62 -5.393 -8.601 -13.386 1.00 0.00 C ATOM 855 CG ASP A 62 -4.509 -7.942 -12.325 1.00 0.00 C ATOM 856 OD1 ASP A 62 -5.006 -7.071 -11.629 1.00 0.00 O ATOM 857 OD2 ASP A 62 -3.353 -8.318 -12.227 1.00 0.00 O ATOM 0 H ASP A 62 -6.556 -6.273 -12.781 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.493 -8.970 -13.702 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.184 -9.670 -13.435 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.169 -8.187 -14.369 1.00 0.00 H new ATOM 862 N GLY A 63 -8.075 -8.164 -10.944 1.00 0.00 N ATOM 863 CA GLY A 63 -8.366 -8.526 -9.526 1.00 0.00 C ATOM 864 C GLY A 63 -7.292 -7.931 -8.610 1.00 0.00 C ATOM 865 O GLY A 63 -7.328 -8.089 -7.395 1.00 0.00 O ATOM 0 H GLY A 63 -8.663 -7.428 -11.335 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.349 -8.153 -9.240 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.392 -9.610 -9.415 1.00 0.00 H new ATOM 869 N THR A 64 -6.338 -7.244 -9.184 1.00 0.00 N ATOM 870 CA THR A 64 -5.263 -6.631 -8.367 1.00 0.00 C ATOM 871 C THR A 64 -5.139 -5.153 -8.734 1.00 0.00 C ATOM 872 O THR A 64 -5.338 -4.772 -9.871 1.00 0.00 O ATOM 873 CB THR A 64 -3.934 -7.331 -8.649 1.00 0.00 C ATOM 874 OG1 THR A 64 -3.416 -6.878 -9.893 1.00 0.00 O ATOM 875 CG2 THR A 64 -4.149 -8.844 -8.704 1.00 0.00 C ATOM 0 H THR A 64 -6.262 -7.084 -10.188 1.00 0.00 H new ATOM 0 HA THR A 64 -5.508 -6.735 -7.310 1.00 0.00 H new ATOM 0 HB THR A 64 -3.227 -7.098 -7.853 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.152 -6.565 -10.459 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.199 -9.339 -8.905 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.544 -9.190 -7.749 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.858 -9.082 -9.497 1.00 0.00 H new ATOM 883 N TYR A 65 -4.829 -4.313 -7.788 1.00 0.00 N ATOM 884 CA TYR A 65 -4.717 -2.865 -8.105 1.00 0.00 C ATOM 885 C TYR A 65 -3.336 -2.342 -7.721 1.00 0.00 C ATOM 886 O TYR A 65 -2.672 -2.881 -6.860 1.00 0.00 O ATOM 887 CB TYR A 65 -5.814 -2.118 -7.353 1.00 0.00 C ATOM 888 CG TYR A 65 -7.131 -2.667 -7.830 1.00 0.00 C ATOM 889 CD1 TYR A 65 -7.470 -4.000 -7.559 1.00 0.00 C ATOM 890 CD2 TYR A 65 -7.993 -1.867 -8.581 1.00 0.00 C ATOM 891 CE1 TYR A 65 -8.670 -4.524 -8.033 1.00 0.00 C ATOM 892 CE2 TYR A 65 -9.191 -2.392 -9.062 1.00 0.00 C ATOM 893 CZ TYR A 65 -9.533 -3.723 -8.789 1.00 0.00 C ATOM 894 OH TYR A 65 -10.716 -4.243 -9.271 1.00 0.00 O ATOM 0 H TYR A 65 -4.650 -4.564 -6.816 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.841 -2.707 -9.176 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.706 -2.256 -6.277 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.751 -1.047 -7.545 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.800 -4.621 -6.982 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.732 -0.840 -8.790 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.935 -5.549 -7.817 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.856 -1.773 -9.645 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.662 -5.221 -9.284 1.00 0.00 H new ATOM 904 N ASP A 66 -2.893 -1.298 -8.370 1.00 0.00 N ATOM 905 CA ASP A 66 -1.548 -0.750 -8.055 1.00 0.00 C ATOM 906 C ASP A 66 -1.681 0.728 -7.712 1.00 0.00 C ATOM 907 O ASP A 66 -2.220 1.506 -8.474 1.00 0.00 O ATOM 908 CB ASP A 66 -0.632 -0.916 -9.270 1.00 0.00 C ATOM 909 CG ASP A 66 0.825 -0.726 -8.848 1.00 0.00 C ATOM 910 OD1 ASP A 66 1.058 -0.498 -7.673 1.00 0.00 O ATOM 911 OD2 ASP A 66 1.687 -0.812 -9.708 1.00 0.00 O ATOM 0 H ASP A 66 -3.405 -0.805 -9.102 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.120 -1.286 -7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.768 -1.905 -9.707 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.896 -0.189 -10.038 1.00 0.00 H new ATOM 916 N VAL A 67 -1.196 1.125 -6.573 1.00 0.00 N ATOM 917 CA VAL A 67 -1.300 2.557 -6.192 1.00 0.00 C ATOM 918 C VAL A 67 0.124 3.105 -6.003 1.00 0.00 C ATOM 919 O VAL A 67 1.004 2.386 -5.566 1.00 0.00 O ATOM 920 CB VAL A 67 -2.124 2.658 -4.904 1.00 0.00 C ATOM 921 CG1 VAL A 67 -3.279 1.657 -4.969 1.00 0.00 C ATOM 922 CG2 VAL A 67 -1.270 2.324 -3.709 1.00 0.00 C ATOM 0 H VAL A 67 -0.734 0.523 -5.892 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.799 3.146 -6.961 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.502 3.676 -4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.870 1.723 -4.055 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.911 1.886 -5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.880 0.648 -5.071 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.869 2.400 -2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.888 1.308 -3.808 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.435 3.022 -3.652 1.00 0.00 H new ATOM 932 N GLU A 68 0.385 4.348 -6.349 1.00 0.00 N ATOM 933 CA GLU A 68 1.792 4.851 -6.197 1.00 0.00 C ATOM 934 C GLU A 68 1.865 6.359 -5.961 1.00 0.00 C ATOM 935 O GLU A 68 1.419 7.148 -6.752 1.00 0.00 O ATOM 936 CB GLU A 68 2.581 4.583 -7.473 1.00 0.00 C ATOM 937 CG GLU A 68 2.316 3.165 -7.986 1.00 0.00 C ATOM 938 CD GLU A 68 0.957 3.123 -8.687 1.00 0.00 C ATOM 939 OE1 GLU A 68 0.424 4.184 -8.968 1.00 0.00 O ATOM 940 OE2 GLU A 68 0.473 2.030 -8.934 1.00 0.00 O ATOM 0 H GLU A 68 -0.291 5.017 -6.718 1.00 0.00 H new ATOM 0 HA GLU A 68 2.201 4.327 -5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.304 5.309 -8.237 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.646 4.713 -7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.103 2.864 -8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.332 2.458 -7.157 1.00 0.00 H new ATOM 947 N PHE A 69 2.532 6.755 -4.928 1.00 0.00 N ATOM 948 CA PHE A 69 2.728 8.221 -4.667 1.00 0.00 C ATOM 949 C PHE A 69 4.227 8.464 -4.416 1.00 0.00 C ATOM 950 O PHE A 69 4.958 7.559 -4.053 1.00 0.00 O ATOM 951 CB PHE A 69 1.904 8.706 -3.458 1.00 0.00 C ATOM 952 CG PHE A 69 2.545 8.235 -2.189 1.00 0.00 C ATOM 953 CD1 PHE A 69 2.585 6.872 -1.889 1.00 0.00 C ATOM 954 CD2 PHE A 69 3.094 9.169 -1.308 1.00 0.00 C ATOM 955 CE1 PHE A 69 3.175 6.445 -0.700 1.00 0.00 C ATOM 956 CE2 PHE A 69 3.684 8.741 -0.122 1.00 0.00 C ATOM 957 CZ PHE A 69 3.721 7.373 0.178 1.00 0.00 C ATOM 0 H PHE A 69 2.958 6.134 -4.240 1.00 0.00 H new ATOM 0 HA PHE A 69 2.382 8.785 -5.533 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.840 9.794 -3.462 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.884 8.326 -3.525 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.161 6.153 -2.574 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.061 10.222 -1.546 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.208 5.392 -0.461 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.111 9.459 0.563 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.177 7.038 1.098 1.00 0.00 H new ATOM 967 N GLU A 70 4.709 9.661 -4.626 1.00 0.00 N ATOM 968 CA GLU A 70 6.167 9.910 -4.408 1.00 0.00 C ATOM 969 C GLU A 70 6.392 11.357 -3.927 1.00 0.00 C ATOM 970 O GLU A 70 6.252 12.287 -4.696 1.00 0.00 O ATOM 971 CB GLU A 70 6.903 9.688 -5.730 1.00 0.00 C ATOM 972 CG GLU A 70 8.318 10.265 -5.642 1.00 0.00 C ATOM 973 CD GLU A 70 9.207 9.591 -6.688 1.00 0.00 C ATOM 974 OE1 GLU A 70 9.172 8.374 -6.772 1.00 0.00 O ATOM 975 OE2 GLU A 70 9.907 10.302 -7.390 1.00 0.00 O ATOM 0 H GLU A 70 4.166 10.467 -4.935 1.00 0.00 H new ATOM 0 HA GLU A 70 6.546 9.227 -3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.949 8.623 -5.956 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.357 10.164 -6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.294 11.342 -5.808 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.726 10.105 -4.644 1.00 0.00 H new ATOM 982 N PRO A 71 6.731 11.503 -2.665 1.00 0.00 N ATOM 983 CA PRO A 71 6.980 12.826 -2.047 1.00 0.00 C ATOM 984 C PRO A 71 8.381 13.358 -2.398 1.00 0.00 C ATOM 985 O PRO A 71 8.989 12.945 -3.365 1.00 0.00 O ATOM 986 CB PRO A 71 6.871 12.544 -0.547 1.00 0.00 C ATOM 987 CG PRO A 71 7.143 11.032 -0.366 1.00 0.00 C ATOM 988 CD PRO A 71 6.891 10.369 -1.734 1.00 0.00 C ATOM 0 HA PRO A 71 6.282 13.587 -2.396 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.593 13.138 0.013 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.882 12.808 -0.173 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.167 10.860 -0.036 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.487 10.609 0.395 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.724 9.729 -2.026 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.000 9.742 -1.714 1.00 0.00 H new ATOM 996 N LYS A 72 8.889 14.283 -1.617 1.00 0.00 N ATOM 997 CA LYS A 72 10.245 14.857 -1.901 1.00 0.00 C ATOM 998 C LYS A 72 11.021 15.104 -0.592 1.00 0.00 C ATOM 999 O LYS A 72 12.073 14.540 -0.374 1.00 0.00 O ATOM 1000 CB LYS A 72 10.091 16.181 -2.659 1.00 0.00 C ATOM 1001 CG LYS A 72 8.944 16.996 -2.057 1.00 0.00 C ATOM 1002 CD LYS A 72 7.958 17.389 -3.161 1.00 0.00 C ATOM 1003 CE LYS A 72 7.772 18.908 -3.166 1.00 0.00 C ATOM 1004 NZ LYS A 72 7.701 19.395 -4.573 1.00 0.00 N ATOM 0 H LYS A 72 8.423 14.666 -0.794 1.00 0.00 H new ATOM 0 HA LYS A 72 10.803 14.143 -2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.019 16.750 -2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.896 15.986 -3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.434 16.413 -1.290 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.336 17.889 -1.570 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.329 17.055 -4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.000 16.896 -2.999 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.861 19.175 -2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.600 19.388 -2.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.520 20.005 -4.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.709 18.583 -5.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.824 19.938 -4.709 1.00 0.00 H new ATOM 1018 N GLU A 73 10.524 15.955 0.271 1.00 0.00 N ATOM 1019 CA GLU A 73 11.242 16.257 1.542 1.00 0.00 C ATOM 1020 C GLU A 73 10.742 15.332 2.665 1.00 0.00 C ATOM 1021 O GLU A 73 10.606 14.142 2.475 1.00 0.00 O ATOM 1022 CB GLU A 73 10.976 17.722 1.897 1.00 0.00 C ATOM 1023 CG GLU A 73 9.473 17.918 2.122 1.00 0.00 C ATOM 1024 CD GLU A 73 9.251 18.896 3.277 1.00 0.00 C ATOM 1025 OE1 GLU A 73 9.491 20.076 3.082 1.00 0.00 O ATOM 1026 OE2 GLU A 73 8.845 18.448 4.337 1.00 0.00 O ATOM 0 H GLU A 73 9.644 16.456 0.146 1.00 0.00 H new ATOM 0 HA GLU A 73 12.312 16.090 1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.530 17.998 2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.324 18.373 1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.006 18.299 1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.001 16.962 2.346 1.00 0.00 H new ATOM 1033 N ALA A 74 10.465 15.862 3.834 1.00 0.00 N ATOM 1034 CA ALA A 74 9.974 15.003 4.951 1.00 0.00 C ATOM 1035 C ALA A 74 8.459 14.941 4.889 1.00 0.00 C ATOM 1036 O ALA A 74 7.792 15.942 4.714 1.00 0.00 O ATOM 1037 CB ALA A 74 10.427 15.586 6.288 1.00 0.00 C ATOM 0 H ALA A 74 10.559 16.852 4.059 1.00 0.00 H new ATOM 0 HA ALA A 74 10.383 13.997 4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.066 14.956 7.101 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.516 15.627 6.317 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.023 16.592 6.402 1.00 0.00 H new ATOM 1043 N GLY A 75 7.905 13.769 4.995 1.00 0.00 N ATOM 1044 CA GLY A 75 6.429 13.658 4.897 1.00 0.00 C ATOM 1045 C GLY A 75 5.953 12.332 5.472 1.00 0.00 C ATOM 1046 O GLY A 75 6.690 11.372 5.560 1.00 0.00 O ATOM 0 H GLY A 75 8.405 12.892 5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.960 14.483 5.434 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.121 13.740 3.855 1.00 0.00 H new ATOM 1050 N ASP A 76 4.710 12.272 5.837 1.00 0.00 N ATOM 1051 CA ASP A 76 4.146 11.012 6.375 1.00 0.00 C ATOM 1052 C ASP A 76 3.091 10.543 5.392 1.00 0.00 C ATOM 1053 O ASP A 76 2.557 11.317 4.624 1.00 0.00 O ATOM 1054 CB ASP A 76 3.516 11.265 7.747 1.00 0.00 C ATOM 1055 CG ASP A 76 2.231 12.080 7.579 1.00 0.00 C ATOM 1056 OD1 ASP A 76 1.303 11.567 6.975 1.00 0.00 O ATOM 1057 OD2 ASP A 76 2.197 13.201 8.058 1.00 0.00 O ATOM 0 H ASP A 76 4.053 13.051 5.785 1.00 0.00 H new ATOM 0 HA ASP A 76 4.923 10.257 6.498 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.296 10.317 8.238 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.217 11.800 8.387 1.00 0.00 H new ATOM 1062 N TYR A 77 2.810 9.281 5.373 1.00 0.00 N ATOM 1063 CA TYR A 77 1.818 8.782 4.392 1.00 0.00 C ATOM 1064 C TYR A 77 0.597 8.238 5.087 1.00 0.00 C ATOM 1065 O TYR A 77 0.677 7.474 6.025 1.00 0.00 O ATOM 1066 CB TYR A 77 2.402 7.639 3.576 1.00 0.00 C ATOM 1067 CG TYR A 77 3.813 7.939 3.189 1.00 0.00 C ATOM 1068 CD1 TYR A 77 4.172 9.235 2.829 1.00 0.00 C ATOM 1069 CD2 TYR A 77 4.751 6.906 3.147 1.00 0.00 C ATOM 1070 CE1 TYR A 77 5.480 9.508 2.425 1.00 0.00 C ATOM 1071 CE2 TYR A 77 6.057 7.171 2.735 1.00 0.00 C ATOM 1072 CZ TYR A 77 6.425 8.475 2.374 1.00 0.00 C ATOM 1073 OH TYR A 77 7.716 8.739 1.963 1.00 0.00 O ATOM 0 H TYR A 77 3.218 8.576 5.987 1.00 0.00 H new ATOM 0 HA TYR A 77 1.554 9.625 3.754 1.00 0.00 H new ATOM 0 HB2 TYR A 77 2.366 6.716 4.155 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.800 7.478 2.682 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.440 10.028 2.862 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.466 5.904 3.433 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.763 10.514 2.152 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.784 6.373 2.694 1.00 0.00 H new ATOM 0 HH TYR A 77 7.928 9.680 2.136 1.00 0.00 H new ATOM 1083 N VAL A 78 -0.533 8.579 4.572 1.00 0.00 N ATOM 1084 CA VAL A 78 -1.795 8.043 5.119 1.00 0.00 C ATOM 1085 C VAL A 78 -2.385 7.181 4.024 1.00 0.00 C ATOM 1086 O VAL A 78 -2.475 7.592 2.876 1.00 0.00 O ATOM 1087 CB VAL A 78 -2.753 9.166 5.487 1.00 0.00 C ATOM 1088 CG1 VAL A 78 -2.685 10.262 4.427 1.00 0.00 C ATOM 1089 CG2 VAL A 78 -4.178 8.614 5.578 1.00 0.00 C ATOM 0 H VAL A 78 -0.641 9.216 3.783 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.619 7.474 6.032 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.470 9.585 6.453 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.371 11.066 4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.669 10.654 4.374 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.965 9.849 3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.864 9.419 5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.467 8.192 4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.219 7.837 6.342 1.00 0.00 H new ATOM 1099 N ILE A 79 -2.727 5.979 4.343 1.00 0.00 N ATOM 1100 CA ILE A 79 -3.248 5.077 3.278 1.00 0.00 C ATOM 1101 C ILE A 79 -4.752 4.896 3.367 1.00 0.00 C ATOM 1102 O ILE A 79 -5.380 5.087 4.388 1.00 0.00 O ATOM 1103 CB ILE A 79 -2.562 3.710 3.363 1.00 0.00 C ATOM 1104 CG1 ILE A 79 -1.242 3.830 4.133 1.00 0.00 C ATOM 1105 CG2 ILE A 79 -2.273 3.197 1.952 1.00 0.00 C ATOM 1106 CD1 ILE A 79 -0.366 4.900 3.480 1.00 0.00 C ATOM 0 H ILE A 79 -2.673 5.577 5.279 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.024 5.546 2.320 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.221 3.015 3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.438 4.090 5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.722 2.872 4.137 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.785 2.224 2.011 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.209 3.100 1.401 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.619 3.900 1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.573 4.986 4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.159 4.620 2.447 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.886 5.858 3.500 1.00 0.00 H new ATOM 1118 N ASN A 80 -5.320 4.516 2.269 1.00 0.00 N ATOM 1119 CA ASN A 80 -6.773 4.277 2.207 1.00 0.00 C ATOM 1120 C ASN A 80 -7.032 3.204 1.151 1.00 0.00 C ATOM 1121 O ASN A 80 -6.831 3.414 -0.027 1.00 0.00 O ATOM 1122 CB ASN A 80 -7.487 5.558 1.810 1.00 0.00 C ATOM 1123 CG ASN A 80 -6.851 6.754 2.524 1.00 0.00 C ATOM 1124 OD1 ASN A 80 -7.307 7.119 3.692 1.00 0.00 O flip ATOM 1125 ND2 ASN A 80 -5.932 7.362 2.015 1.00 0.00 N flip ATOM 0 H ASN A 80 -4.825 4.358 1.392 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.143 3.953 3.180 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.430 5.696 0.730 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.544 5.490 2.068 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.575 7.077 1.103 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.516 8.158 2.500 1.00 0.00 H new ATOM 1132 N LEU A 81 -7.480 2.063 1.572 1.00 0.00 N ATOM 1133 CA LEU A 81 -7.771 0.958 0.619 1.00 0.00 C ATOM 1134 C LEU A 81 -9.038 0.282 1.099 1.00 0.00 C ATOM 1135 O LEU A 81 -9.153 -0.067 2.256 1.00 0.00 O ATOM 1136 CB LEU A 81 -6.617 -0.047 0.598 1.00 0.00 C ATOM 1137 CG LEU A 81 -7.121 -1.399 0.098 1.00 0.00 C ATOM 1138 CD1 LEU A 81 -5.979 -2.159 -0.563 1.00 0.00 C ATOM 1139 CD2 LEU A 81 -7.637 -2.204 1.287 1.00 0.00 C ATOM 0 H LEU A 81 -7.661 1.842 2.551 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.892 1.345 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.818 0.316 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.195 -0.152 1.598 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.921 -1.247 -0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.342 -3.123 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.597 -1.582 -1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.180 -2.317 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.000 -3.172 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.829 -2.354 2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.452 -1.662 1.767 1.00 0.00 H new ATOM 1151 N THR A 82 -9.996 0.127 0.237 1.00 0.00 N ATOM 1152 CA THR A 82 -11.284 -0.480 0.666 1.00 0.00 C ATOM 1153 C THR A 82 -11.850 -1.395 -0.412 1.00 0.00 C ATOM 1154 O THR A 82 -11.831 -1.080 -1.586 1.00 0.00 O ATOM 1155 CB THR A 82 -12.259 0.668 0.932 1.00 0.00 C ATOM 1156 OG1 THR A 82 -12.224 1.591 -0.152 1.00 0.00 O ATOM 1157 CG2 THR A 82 -11.848 1.388 2.212 1.00 0.00 C ATOM 0 H THR A 82 -9.946 0.393 -0.746 1.00 0.00 H new ATOM 0 HA THR A 82 -11.129 -1.086 1.559 1.00 0.00 H new ATOM 0 HB THR A 82 -13.268 0.268 1.036 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.725 2.398 0.089 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.540 2.208 2.407 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.871 0.688 3.047 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.839 1.784 2.099 1.00 0.00 H new ATOM 1165 N LEU A 83 -12.376 -2.523 -0.016 1.00 0.00 N ATOM 1166 CA LEU A 83 -12.969 -3.452 -1.032 1.00 0.00 C ATOM 1167 C LEU A 83 -14.306 -3.986 -0.519 1.00 0.00 C ATOM 1168 O LEU A 83 -14.402 -5.127 -0.133 1.00 0.00 O ATOM 1169 CB LEU A 83 -12.015 -4.628 -1.289 1.00 0.00 C ATOM 1170 CG LEU A 83 -12.449 -5.421 -2.539 1.00 0.00 C ATOM 1171 CD1 LEU A 83 -13.598 -6.363 -2.180 1.00 0.00 C ATOM 1172 CD2 LEU A 83 -12.922 -4.462 -3.633 1.00 0.00 C ATOM 0 H LEU A 83 -12.423 -2.842 0.952 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.125 -2.907 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.999 -4.256 -1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -12.001 -5.287 -0.421 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.596 -5.995 -2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -13.901 -6.921 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.270 -7.059 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.443 -5.782 -1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.226 -5.033 -4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.769 -3.881 -3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.109 -3.788 -3.902 1.00 0.00 H new ATOM 1184 N ASP A 84 -15.322 -3.150 -0.514 1.00 0.00 N ATOM 1185 CA ASP A 84 -16.691 -3.551 -0.041 1.00 0.00 C ATOM 1186 C ASP A 84 -17.296 -2.387 0.733 1.00 0.00 C ATOM 1187 O ASP A 84 -18.496 -2.289 0.899 1.00 0.00 O ATOM 1188 CB ASP A 84 -16.668 -4.799 0.851 1.00 0.00 C ATOM 1189 CG ASP A 84 -16.683 -6.061 -0.020 1.00 0.00 C ATOM 1190 OD1 ASP A 84 -17.484 -6.115 -0.938 1.00 0.00 O ATOM 1191 OD2 ASP A 84 -15.891 -6.950 0.248 1.00 0.00 O ATOM 0 H ASP A 84 -15.257 -2.181 -0.826 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.289 -3.797 -0.918 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.778 -4.791 1.480 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.530 -4.796 1.518 1.00 0.00 H new ATOM 1196 N GLY A 85 -16.463 -1.515 1.234 1.00 0.00 N ATOM 1197 CA GLY A 85 -16.968 -0.369 2.027 1.00 0.00 C ATOM 1198 C GLY A 85 -16.095 -0.204 3.274 1.00 0.00 C ATOM 1199 O GLY A 85 -16.260 0.731 4.032 1.00 0.00 O ATOM 0 H GLY A 85 -15.450 -1.552 1.125 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.946 0.542 1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.006 -0.537 2.313 1.00 0.00 H new ATOM 1203 N ASP A 86 -15.151 -1.092 3.494 1.00 0.00 N ATOM 1204 CA ASP A 86 -14.275 -0.953 4.681 1.00 0.00 C ATOM 1205 C ASP A 86 -12.835 -0.924 4.183 1.00 0.00 C ATOM 1206 O ASP A 86 -12.583 -1.173 3.025 1.00 0.00 O ATOM 1207 CB ASP A 86 -14.478 -2.148 5.617 1.00 0.00 C ATOM 1208 CG ASP A 86 -15.595 -1.830 6.614 1.00 0.00 C ATOM 1209 OD1 ASP A 86 -16.240 -0.810 6.445 1.00 0.00 O ATOM 1210 OD2 ASP A 86 -15.784 -2.614 7.530 1.00 0.00 O ATOM 0 H ASP A 86 -14.958 -1.899 2.901 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.511 -0.042 5.231 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.733 -3.037 5.040 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.553 -2.368 6.149 1.00 0.00 H new ATOM 1215 N ASN A 87 -11.884 -0.625 5.020 1.00 0.00 N ATOM 1216 CA ASN A 87 -10.481 -0.597 4.528 1.00 0.00 C ATOM 1217 C ASN A 87 -9.703 -1.735 5.155 1.00 0.00 C ATOM 1218 O ASN A 87 -10.103 -2.306 6.150 1.00 0.00 O ATOM 1219 CB ASN A 87 -9.805 0.740 4.875 1.00 0.00 C ATOM 1220 CG ASN A 87 -10.773 1.650 5.638 1.00 0.00 C ATOM 1221 OD1 ASN A 87 -11.665 2.232 5.054 1.00 0.00 O ATOM 1222 ND2 ASN A 87 -10.632 1.799 6.927 1.00 0.00 N ATOM 0 H ASN A 87 -12.013 -0.402 6.007 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.492 -0.708 3.444 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.916 0.558 5.478 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.475 1.235 3.962 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -11.271 2.404 7.443 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.883 1.311 7.418 1.00 0.00 H new ATOM 1229 N VAL A 88 -8.598 -2.084 4.570 1.00 0.00 N ATOM 1230 CA VAL A 88 -7.807 -3.207 5.134 1.00 0.00 C ATOM 1231 C VAL A 88 -7.261 -2.794 6.511 1.00 0.00 C ATOM 1232 O VAL A 88 -7.357 -1.648 6.902 1.00 0.00 O ATOM 1233 CB VAL A 88 -6.662 -3.555 4.178 1.00 0.00 C ATOM 1234 CG1 VAL A 88 -5.572 -4.336 4.916 1.00 0.00 C ATOM 1235 CG2 VAL A 88 -7.215 -4.422 3.052 1.00 0.00 C ATOM 0 H VAL A 88 -8.210 -1.647 3.734 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.437 -4.089 5.254 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.232 -2.635 3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.765 -4.576 4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.181 -3.731 5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.993 -5.258 5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.411 -4.679 2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.639 -5.335 3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.991 -3.873 2.518 1.00 0.00 H new ATOM 1245 N ASN A 89 -6.719 -3.720 7.266 1.00 0.00 N ATOM 1246 CA ASN A 89 -6.208 -3.370 8.629 1.00 0.00 C ATOM 1247 C ASN A 89 -4.797 -2.775 8.563 1.00 0.00 C ATOM 1248 O ASN A 89 -4.051 -2.823 9.521 1.00 0.00 O ATOM 1249 CB ASN A 89 -6.187 -4.629 9.499 1.00 0.00 C ATOM 1250 CG ASN A 89 -6.059 -4.229 10.970 1.00 0.00 C ATOM 1251 OD1 ASN A 89 -6.753 -3.348 11.436 1.00 0.00 O ATOM 1252 ND2 ASN A 89 -5.194 -4.847 11.727 1.00 0.00 N ATOM 0 H ASN A 89 -6.609 -4.698 6.999 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.872 -2.621 9.060 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -7.099 -5.205 9.346 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -5.353 -5.269 9.211 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.101 -4.590 12.710 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.611 -5.587 11.336 1.00 0.00 H new ATOM 1259 N GLY A 90 -4.432 -2.204 7.457 1.00 0.00 N ATOM 1260 CA GLY A 90 -3.075 -1.590 7.344 1.00 0.00 C ATOM 1261 C GLY A 90 -3.164 -0.344 6.458 1.00 0.00 C ATOM 1262 O GLY A 90 -2.180 0.115 5.911 1.00 0.00 O ATOM 0 H GLY A 90 -5.011 -2.132 6.621 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.699 -1.324 8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.372 -2.306 6.918 1.00 0.00 H new ATOM 1266 N PHE A 91 -4.348 0.182 6.282 1.00 0.00 N ATOM 1267 CA PHE A 91 -4.518 1.369 5.396 1.00 0.00 C ATOM 1268 C PHE A 91 -4.929 2.638 6.139 1.00 0.00 C ATOM 1269 O PHE A 91 -4.408 3.687 5.828 1.00 0.00 O ATOM 1270 CB PHE A 91 -5.538 1.041 4.335 1.00 0.00 C ATOM 1271 CG PHE A 91 -4.764 0.598 3.140 1.00 0.00 C ATOM 1272 CD1 PHE A 91 -4.172 -0.662 3.133 1.00 0.00 C ATOM 1273 CD2 PHE A 91 -4.609 1.455 2.056 1.00 0.00 C ATOM 1274 CE1 PHE A 91 -3.426 -1.069 2.034 1.00 0.00 C ATOM 1275 CE2 PHE A 91 -3.864 1.055 0.952 1.00 0.00 C ATOM 1276 CZ PHE A 91 -3.269 -0.213 0.938 1.00 0.00 C ATOM 0 H PHE A 91 -5.206 -0.161 6.715 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.545 1.583 4.954 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.214 0.256 4.674 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.151 1.911 4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.292 -1.321 3.980 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.068 2.433 2.071 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.967 -2.047 2.025 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.745 1.719 0.109 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.690 -0.530 0.083 1.00 0.00 H new ATOM 1286 N PRO A 92 -5.803 2.559 7.111 1.00 0.00 N ATOM 1287 CA PRO A 92 -6.192 3.759 7.849 1.00 0.00 C ATOM 1288 C PRO A 92 -5.044 4.152 8.775 1.00 0.00 C ATOM 1289 O PRO A 92 -5.198 4.948 9.679 1.00 0.00 O ATOM 1290 CB PRO A 92 -7.447 3.337 8.617 1.00 0.00 C ATOM 1291 CG PRO A 92 -7.400 1.797 8.707 1.00 0.00 C ATOM 1292 CD PRO A 92 -6.453 1.322 7.588 1.00 0.00 C ATOM 0 HA PRO A 92 -6.397 4.628 7.224 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.464 3.785 9.611 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.348 3.669 8.102 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.038 1.476 9.684 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.395 1.370 8.580 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.721 0.607 7.963 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.001 0.826 6.787 1.00 0.00 H new ATOM 1300 N LYS A 93 -3.878 3.600 8.535 1.00 0.00 N ATOM 1301 CA LYS A 93 -2.710 3.937 9.367 1.00 0.00 C ATOM 1302 C LYS A 93 -1.862 4.949 8.614 1.00 0.00 C ATOM 1303 O LYS A 93 -2.109 5.259 7.453 1.00 0.00 O ATOM 1304 CB LYS A 93 -1.903 2.666 9.640 1.00 0.00 C ATOM 1305 CG LYS A 93 -0.916 2.920 10.782 1.00 0.00 C ATOM 1306 CD LYS A 93 -0.567 1.594 11.462 1.00 0.00 C ATOM 1307 CE LYS A 93 -1.345 1.473 12.775 1.00 0.00 C ATOM 1308 NZ LYS A 93 -0.395 1.207 13.892 1.00 0.00 N ATOM 0 H LYS A 93 -3.698 2.927 7.790 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.026 4.362 10.320 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.573 1.847 9.900 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.365 2.365 8.741 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.012 3.392 10.397 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.351 3.608 11.506 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.812 0.760 10.804 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.504 1.543 11.656 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.901 2.391 12.967 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.075 0.667 12.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.923 1.125 14.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.116 0.320 13.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.285 1.990 13.963 1.00 0.00 H new ATOM 1322 N THR A 94 -0.882 5.485 9.268 1.00 0.00 N ATOM 1323 CA THR A 94 -0.036 6.495 8.607 1.00 0.00 C ATOM 1324 C THR A 94 1.429 6.114 8.714 1.00 0.00 C ATOM 1325 O THR A 94 1.938 5.830 9.780 1.00 0.00 O ATOM 1326 CB THR A 94 -0.264 7.844 9.280 1.00 0.00 C ATOM 1327 OG1 THR A 94 -1.651 8.152 9.259 1.00 0.00 O ATOM 1328 CG2 THR A 94 0.518 8.919 8.534 1.00 0.00 C ATOM 0 H THR A 94 -0.631 5.266 10.232 1.00 0.00 H new ATOM 0 HA THR A 94 -0.302 6.552 7.551 1.00 0.00 H new ATOM 0 HB THR A 94 0.079 7.803 10.314 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.800 9.018 9.693 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.357 9.885 9.013 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.580 8.676 8.555 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.177 8.966 7.500 1.00 0.00 H new ATOM 1336 N VAL A 95 2.115 6.135 7.613 1.00 0.00 N ATOM 1337 CA VAL A 95 3.563 5.804 7.648 1.00 0.00 C ATOM 1338 C VAL A 95 4.348 7.118 7.654 1.00 0.00 C ATOM 1339 O VAL A 95 3.840 8.145 7.253 1.00 0.00 O ATOM 1340 CB VAL A 95 3.928 4.920 6.449 1.00 0.00 C ATOM 1341 CG1 VAL A 95 5.413 5.017 6.133 1.00 0.00 C ATOM 1342 CG2 VAL A 95 3.619 3.467 6.789 1.00 0.00 C ATOM 0 H VAL A 95 1.740 6.366 6.693 1.00 0.00 H new ATOM 0 HA VAL A 95 3.814 5.239 8.546 1.00 0.00 H new ATOM 0 HB VAL A 95 3.350 5.258 5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.646 4.381 5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.668 6.050 5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.991 4.690 6.997 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.876 2.832 5.941 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.203 3.165 7.659 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.557 3.363 7.011 1.00 0.00 H new ATOM 1352 N THR A 96 5.551 7.126 8.163 1.00 0.00 N ATOM 1353 CA THR A 96 6.289 8.421 8.243 1.00 0.00 C ATOM 1354 C THR A 96 7.631 8.398 7.504 1.00 0.00 C ATOM 1355 O THR A 96 8.330 7.405 7.456 1.00 0.00 O ATOM 1356 CB THR A 96 6.542 8.747 9.716 1.00 0.00 C ATOM 1357 OG1 THR A 96 5.305 9.016 10.361 1.00 0.00 O ATOM 1358 CG2 THR A 96 7.452 9.971 9.826 1.00 0.00 C ATOM 0 H THR A 96 6.047 6.310 8.521 1.00 0.00 H new ATOM 0 HA THR A 96 5.671 9.178 7.760 1.00 0.00 H new ATOM 0 HB THR A 96 7.025 7.896 10.195 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.467 9.223 11.305 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.629 10.199 10.877 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.402 9.763 9.334 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.974 10.824 9.345 1.00 0.00 H new ATOM 1366 N VAL A 97 7.997 9.535 6.972 1.00 0.00 N ATOM 1367 CA VAL A 97 9.299 9.699 6.264 1.00 0.00 C ATOM 1368 C VAL A 97 9.956 10.987 6.785 1.00 0.00 C ATOM 1369 O VAL A 97 9.283 11.941 7.137 1.00 0.00 O ATOM 1370 CB VAL A 97 9.078 9.774 4.745 1.00 0.00 C ATOM 1371 CG1 VAL A 97 10.225 10.522 4.093 1.00 0.00 C ATOM 1372 CG2 VAL A 97 9.082 8.368 4.150 1.00 0.00 C ATOM 0 H VAL A 97 7.429 10.381 7.001 1.00 0.00 H new ATOM 0 HA VAL A 97 9.948 8.844 6.456 1.00 0.00 H new ATOM 0 HB VAL A 97 8.127 10.276 4.567 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.062 10.571 3.016 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.278 11.532 4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.161 10.001 4.295 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.925 8.428 3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 97 10.041 7.891 4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.283 7.780 4.601 1.00 0.00 H new ATOM 1382 N LYS A 98 11.262 11.012 6.850 1.00 0.00 N ATOM 1383 CA LYS A 98 11.975 12.214 7.391 1.00 0.00 C ATOM 1384 C LYS A 98 12.381 13.137 6.235 1.00 0.00 C ATOM 1385 O LYS A 98 12.016 12.884 5.105 1.00 0.00 O ATOM 1386 CB LYS A 98 13.224 11.747 8.155 1.00 0.00 C ATOM 1387 CG LYS A 98 13.143 10.247 8.463 1.00 0.00 C ATOM 1388 CD LYS A 98 14.018 9.924 9.676 1.00 0.00 C ATOM 1389 CE LYS A 98 13.373 8.797 10.483 1.00 0.00 C ATOM 1390 NZ LYS A 98 12.107 9.288 11.095 1.00 0.00 N ATOM 0 H LYS A 98 11.870 10.250 6.551 1.00 0.00 H new ATOM 0 HA LYS A 98 11.318 12.764 8.065 1.00 0.00 H new ATOM 0 HB2 LYS A 98 14.116 11.954 7.564 1.00 0.00 H new ATOM 0 HB3 LYS A 98 13.319 12.309 9.084 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.110 9.961 8.661 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.474 9.670 7.599 1.00 0.00 H new ATOM 0 HD2 LYS A 98 15.015 9.628 9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 98 14.136 10.810 10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 98 13.170 7.943 9.837 1.00 0.00 H new ATOM 0 HE3 LYS A 98 14.056 8.454 11.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.952 8.808 12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.172 10.314 11.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.311 9.086 10.456 1.00 0.00 H new