USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 721 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 Single : A 2 LYS NZ :NH3+ -148:sc= -0.137 (180deg=-0.876) USER MOD Single : A 13 LYS NZ :NH3+ -119:sc= 0 (180deg=-1.03) USER MOD Single : A 14 ASN : amide:sc= -0.332 X(o=-0.33,f=0) USER MOD Single : A 16 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.61) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0335 USER MOD Single : A 21 SER OG : rot 180:sc=-0.00307 USER MOD Single : A 23 THR OG1 : rot 140:sc= -2.6! USER MOD Single : A 27 ASN : amide:sc= -3.42 K(o=-3.4,f=-7.3!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.467 K(o=-0.47,f=-1.9) USER MOD Single : A 36 TYR OH : rot 0:sc= 0.0532 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 48 SER OG : rot 6:sc= 1.24 USER MOD Single : A 53 HIS : no HD1:sc= -0.496 K(o=-0.5,f=-1.2) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -5.59! C(o=-5.6!,f=-4!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.795 USER MOD Single : A 71 HIS : no HE2:sc= -6.72! C(o=-6.7!,f=-5.4!) USER MOD Single : A 72 LYS NZ :NH3+ 144:sc= 0.8 (180deg=-0.042) USER MOD Single : A 73 GLN : amide:sc= -3.47! C(o=-3.5!,f=-7.5!) USER MOD Single : A 77 THR OG1 : rot -11:sc= -3.6! USER MOD Single : A 80 ASN : amide:sc= -2.29 X(o=-2.3,f=-2.1) USER MOD Single : A 81 THR OG1 : rot -90:sc= 0.463 USER MOD Single : A 83 GLN : amide:sc= -0.277 K(o=-0.28,f=-2.3!) USER MOD Single : A 86 HIS : no HD1:sc= -2.58! C(o=-2.6!,f=-3!) USER MOD Single : A 91 LYS NZ :NH3+ -132:sc= -0.963 (180deg=-2.8!) USER MOD Single : A 93 GLN : amide:sc= -0.0252 K(o=-0.025,f=-1.6!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0162 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -18.628 3.236 -7.524 1.00 15.00 N ATOM 2 CA PRO A 1 -18.454 2.382 -6.319 1.00 15.00 C ATOM 3 C PRO A 1 -17.136 2.672 -5.601 1.00 15.00 C ATOM 4 O PRO A 1 -16.227 3.278 -6.170 1.00 15.00 O ATOM 5 CB PRO A 1 -18.505 0.926 -6.775 1.00 15.00 C ATOM 6 CG PRO A 1 -18.572 1.005 -8.264 1.00 15.00 C ATOM 7 CD PRO A 1 -19.140 2.364 -8.595 1.00 15.00 C ATOM 0 H2 PRO A 1 -17.742 3.661 -7.797 1.00 15.00 H new ATOM 0 H3 PRO A 1 -19.279 3.998 -7.336 1.00 15.00 H new ATOM 0 HA PRO A 1 -19.249 2.594 -5.605 1.00 15.00 H new ATOM 0 HB2 PRO A 1 -17.624 0.375 -6.446 1.00 15.00 H new ATOM 0 HB3 PRO A 1 -19.374 0.411 -6.365 1.00 15.00 H new ATOM 0 HG2 PRO A 1 -17.583 0.880 -8.704 1.00 15.00 H new ATOM 0 HG3 PRO A 1 -19.202 0.212 -8.667 1.00 15.00 H new ATOM 0 HD2 PRO A 1 -18.813 2.705 -9.577 1.00 15.00 H new ATOM 0 HD3 PRO A 1 -20.230 2.348 -8.610 1.00 15.00 H new ATOM 17 N LYS A 2 -17.044 2.240 -4.348 1.00 15.00 N ATOM 18 CA LYS A 2 -15.846 2.454 -3.549 1.00 15.00 C ATOM 19 C LYS A 2 -15.730 1.396 -2.445 1.00 15.00 C ATOM 20 O LYS A 2 -14.784 0.609 -2.434 1.00 15.00 O ATOM 21 CB LYS A 2 -15.865 3.869 -2.961 1.00 15.00 C ATOM 22 CG LYS A 2 -15.007 4.045 -1.717 1.00 15.00 C ATOM 23 CD LYS A 2 -14.260 5.366 -1.750 1.00 15.00 C ATOM 24 CE LYS A 2 -14.338 6.087 -0.414 1.00 15.00 C ATOM 25 NZ LYS A 2 -15.746 6.339 0.001 1.00 15.00 N ATOM 0 H LYS A 2 -17.788 1.738 -3.864 1.00 15.00 H new ATOM 0 HA LYS A 2 -14.969 2.354 -4.189 1.00 15.00 H new ATOM 0 HB2 LYS A 2 -15.526 4.571 -3.723 1.00 15.00 H new ATOM 0 HB3 LYS A 2 -16.894 4.135 -2.718 1.00 15.00 H new ATOM 0 HG2 LYS A 2 -15.637 4.002 -0.828 1.00 15.00 H new ATOM 0 HG3 LYS A 2 -14.295 3.223 -1.643 1.00 15.00 H new ATOM 0 HD2 LYS A 2 -13.216 5.188 -2.007 1.00 15.00 H new ATOM 0 HD3 LYS A 2 -14.677 6.001 -2.532 1.00 15.00 H new ATOM 0 HE2 LYS A 2 -13.836 5.492 0.349 1.00 15.00 H new ATOM 0 HE3 LYS A 2 -13.804 7.035 -0.482 1.00 15.00 H new ATOM 0 HZ1 LYS A 2 -15.794 7.224 0.546 1.00 15.00 H new ATOM 0 HZ2 LYS A 2 -16.348 6.419 -0.843 1.00 15.00 H new ATOM 0 HZ3 LYS A 2 -16.080 5.550 0.591 1.00 15.00 H new ATOM 39 N PRO A 3 -16.689 1.358 -1.500 1.00 15.00 N ATOM 40 CA PRO A 3 -16.681 0.386 -0.402 1.00 15.00 C ATOM 41 C PRO A 3 -16.278 -1.014 -0.846 1.00 15.00 C ATOM 42 O PRO A 3 -17.032 -1.692 -1.545 1.00 15.00 O ATOM 43 CB PRO A 3 -18.133 0.373 0.038 1.00 15.00 C ATOM 44 CG PRO A 3 -18.618 1.757 -0.217 1.00 15.00 C ATOM 45 CD PRO A 3 -17.860 2.258 -1.420 1.00 15.00 C ATOM 0 HA PRO A 3 -15.962 0.659 0.371 1.00 15.00 H new ATOM 0 HB2 PRO A 3 -18.711 -0.359 -0.526 1.00 15.00 H new ATOM 0 HB3 PRO A 3 -18.225 0.109 1.092 1.00 15.00 H new ATOM 0 HG2 PRO A 3 -19.692 1.764 -0.404 1.00 15.00 H new ATOM 0 HG3 PRO A 3 -18.441 2.396 0.648 1.00 15.00 H new ATOM 0 HD2 PRO A 3 -18.466 2.207 -2.324 1.00 15.00 H new ATOM 0 HD3 PRO A 3 -17.557 3.298 -1.297 1.00 15.00 H new ATOM 53 N GLY A 4 -15.095 -1.449 -0.435 1.00 15.00 N ATOM 54 CA GLY A 4 -14.631 -2.774 -0.802 1.00 15.00 C ATOM 55 C GLY A 4 -13.997 -2.812 -2.177 1.00 15.00 C ATOM 56 O GLY A 4 -13.193 -3.698 -2.469 1.00 15.00 O ATOM 0 H GLY A 4 -14.450 -0.911 0.144 1.00 15.00 H new ATOM 0 HA2 GLY A 4 -13.907 -3.118 -0.063 1.00 15.00 H new ATOM 0 HA3 GLY A 4 -15.470 -3.469 -0.774 1.00 15.00 H new ATOM 60 N ASP A 5 -14.355 -1.854 -3.028 1.00 15.00 N ATOM 61 CA ASP A 5 -13.803 -1.801 -4.380 1.00 15.00 C ATOM 62 C ASP A 5 -12.296 -1.620 -4.341 1.00 15.00 C ATOM 63 O ASP A 5 -11.742 -1.047 -3.404 1.00 15.00 O ATOM 64 CB ASP A 5 -14.447 -0.671 -5.185 1.00 15.00 C ATOM 65 CG ASP A 5 -15.778 -1.077 -5.786 1.00 15.00 C ATOM 66 OD1 ASP A 5 -16.685 -1.460 -5.017 1.00 15.00 O ATOM 67 OD2 ASP A 5 -15.914 -1.012 -7.026 1.00 15.00 O ATOM 0 H ASP A 5 -15.018 -1.110 -2.809 1.00 15.00 H new ATOM 0 HA ASP A 5 -14.026 -2.749 -4.870 1.00 15.00 H new ATOM 0 HB2 ASP A 5 -14.592 0.195 -4.539 1.00 15.00 H new ATOM 0 HB3 ASP A 5 -13.770 -0.364 -5.982 1.00 15.00 H new ATOM 72 N ILE A 6 -11.645 -2.141 -5.367 1.00 15.00 N ATOM 73 CA ILE A 6 -10.199 -2.082 -5.479 1.00 15.00 C ATOM 74 C ILE A 6 -9.744 -0.818 -6.208 1.00 15.00 C ATOM 75 O ILE A 6 -10.440 -0.307 -7.084 1.00 15.00 O ATOM 76 CB ILE A 6 -9.686 -3.332 -6.225 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.232 -4.397 -5.226 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.551 -2.987 -7.188 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.326 -4.844 -4.282 1.00 15.00 C ATOM 0 H ILE A 6 -12.104 -2.616 -6.144 1.00 15.00 H new ATOM 0 HA ILE A 6 -9.782 -2.055 -4.472 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.512 -3.728 -6.816 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.860 -5.263 -5.774 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.398 -4.006 -4.644 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -8.216 -3.892 -7.695 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.906 -2.268 -7.926 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.720 -2.554 -6.631 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -9.933 -5.600 -3.602 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.683 -3.989 -3.708 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -11.152 -5.266 -4.855 1.00 15.00 H new ATOM 91 N PHE A 7 -8.558 -0.336 -5.850 1.00 15.00 N ATOM 92 CA PHE A 7 -7.992 0.849 -6.478 1.00 15.00 C ATOM 93 C PHE A 7 -6.477 0.708 -6.591 1.00 15.00 C ATOM 94 O PHE A 7 -5.880 -0.152 -5.948 1.00 15.00 O ATOM 95 CB PHE A 7 -8.361 2.112 -5.693 1.00 15.00 C ATOM 96 CG PHE A 7 -7.578 2.293 -4.423 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.266 2.735 -4.461 1.00 15.00 C ATOM 98 CD2 PHE A 7 -8.156 2.024 -3.193 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.545 2.905 -3.297 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.439 2.193 -2.025 1.00 15.00 C ATOM 101 CZ PHE A 7 -6.133 2.634 -2.078 1.00 15.00 C ATOM 0 H PHE A 7 -7.970 -0.750 -5.126 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.411 0.944 -7.480 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.205 2.982 -6.331 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.423 2.080 -5.451 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.802 2.949 -5.412 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -9.178 1.678 -3.147 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.522 3.250 -3.340 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.900 1.980 -1.072 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.571 2.767 -1.166 1.00 15.00 H new ATOM 111 N GLU A 8 -5.861 1.543 -7.418 1.00 15.00 N ATOM 112 CA GLU A 8 -4.417 1.487 -7.615 1.00 15.00 C ATOM 113 C GLU A 8 -3.771 2.858 -7.474 1.00 15.00 C ATOM 114 O GLU A 8 -4.319 3.872 -7.906 1.00 15.00 O ATOM 115 CB GLU A 8 -4.105 0.914 -8.992 1.00 15.00 C ATOM 116 CG GLU A 8 -4.822 1.632 -10.117 1.00 15.00 C ATOM 117 CD GLU A 8 -4.980 0.771 -11.355 1.00 15.00 C ATOM 118 OE1 GLU A 8 -5.432 -0.386 -11.219 1.00 15.00 O ATOM 119 OE2 GLU A 8 -4.653 1.253 -12.459 1.00 15.00 O ATOM 0 H GLU A 8 -6.335 2.264 -7.961 1.00 15.00 H new ATOM 0 HA GLU A 8 -4.003 0.842 -6.840 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -3.030 0.966 -9.164 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.380 -0.141 -9.010 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.806 1.948 -9.771 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -4.270 2.535 -10.376 1.00 15.00 H new ATOM 126 N VAL A 9 -2.586 2.863 -6.882 1.00 15.00 N ATOM 127 CA VAL A 9 -1.814 4.085 -6.686 1.00 15.00 C ATOM 128 C VAL A 9 -0.712 4.167 -7.732 1.00 15.00 C ATOM 129 O VAL A 9 0.196 3.337 -7.757 1.00 15.00 O ATOM 130 CB VAL A 9 -1.212 4.167 -5.257 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.182 2.796 -4.595 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.184 4.782 -5.271 1.00 15.00 C ATOM 0 H VAL A 9 -2.132 2.023 -6.524 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.490 4.933 -6.800 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.860 4.819 -4.671 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.756 2.884 -3.596 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.197 2.404 -4.523 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.572 2.117 -5.191 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.574 4.823 -4.254 1.00 15.00 H new ATOM 0 HG22 VAL A 9 0.844 4.172 -5.888 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.133 5.791 -5.681 1.00 15.00 H new ATOM 142 N GLU A 10 -0.810 5.155 -8.607 1.00 15.00 N ATOM 143 CA GLU A 10 0.167 5.322 -9.670 1.00 15.00 C ATOM 144 C GLU A 10 1.108 6.495 -9.414 1.00 15.00 C ATOM 145 O GLU A 10 1.027 7.526 -10.080 1.00 15.00 O ATOM 146 CB GLU A 10 -0.552 5.504 -11.000 1.00 15.00 C ATOM 147 CG GLU A 10 0.383 5.699 -12.183 1.00 15.00 C ATOM 148 CD GLU A 10 -0.317 5.516 -13.516 1.00 15.00 C ATOM 149 OE1 GLU A 10 -1.478 5.957 -13.642 1.00 15.00 O ATOM 150 OE2 GLU A 10 0.297 4.932 -14.433 1.00 15.00 O ATOM 0 H GLU A 10 -1.555 5.852 -8.602 1.00 15.00 H new ATOM 0 HA GLU A 10 0.781 4.422 -9.700 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -1.180 4.632 -11.185 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -1.216 6.365 -10.928 1.00 15.00 H new ATOM 0 HG2 GLU A 10 0.816 6.698 -12.138 1.00 15.00 H new ATOM 0 HG3 GLU A 10 1.208 4.991 -12.110 1.00 15.00 H new ATOM 157 N LEU A 11 2.018 6.320 -8.463 1.00 15.00 N ATOM 158 CA LEU A 11 2.994 7.356 -8.145 1.00 15.00 C ATOM 159 C LEU A 11 4.225 7.190 -9.029 1.00 15.00 C ATOM 160 O LEU A 11 4.399 6.153 -9.664 1.00 15.00 O ATOM 161 CB LEU A 11 3.394 7.290 -6.669 1.00 15.00 C ATOM 162 CG LEU A 11 3.623 8.646 -5.992 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.333 9.451 -5.939 1.00 15.00 C ATOM 164 CD2 LEU A 11 4.187 8.452 -4.593 1.00 15.00 C ATOM 0 H LEU A 11 2.101 5.473 -7.900 1.00 15.00 H new ATOM 0 HA LEU A 11 2.543 8.330 -8.333 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.617 6.756 -6.122 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.307 6.700 -6.583 1.00 15.00 H new ATOM 0 HG LEU A 11 4.347 9.205 -6.585 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.522 10.409 -5.454 1.00 15.00 H new ATOM 0 HD12 LEU A 11 1.969 9.622 -6.952 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.583 8.899 -5.373 1.00 15.00 H new ATOM 0 HD21 LEU A 11 4.344 9.424 -4.126 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.485 7.871 -3.995 1.00 15.00 H new ATOM 0 HD23 LEU A 11 5.137 7.921 -4.654 1.00 15.00 H new ATOM 176 N ALA A 12 5.077 8.206 -9.073 1.00 15.00 N ATOM 177 CA ALA A 12 6.284 8.140 -9.892 1.00 15.00 C ATOM 178 C ALA A 12 7.487 7.707 -9.064 1.00 15.00 C ATOM 179 O ALA A 12 8.148 8.528 -8.429 1.00 15.00 O ATOM 180 CB ALA A 12 6.552 9.476 -10.560 1.00 15.00 C ATOM 0 H ALA A 12 4.958 9.078 -8.557 1.00 15.00 H new ATOM 0 HA ALA A 12 6.121 7.391 -10.667 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.456 9.405 -11.165 1.00 15.00 H new ATOM 0 HB2 ALA A 12 5.708 9.740 -11.197 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.685 10.244 -9.798 1.00 15.00 H new ATOM 186 N LYS A 13 7.761 6.409 -9.080 1.00 15.00 N ATOM 187 CA LYS A 13 8.880 5.847 -8.335 1.00 15.00 C ATOM 188 C LYS A 13 10.209 6.446 -8.793 1.00 15.00 C ATOM 189 O LYS A 13 11.149 6.571 -8.009 1.00 15.00 O ATOM 190 CB LYS A 13 8.903 4.327 -8.507 1.00 15.00 C ATOM 191 CG LYS A 13 9.404 3.582 -7.283 1.00 15.00 C ATOM 192 CD LYS A 13 10.801 4.026 -6.891 1.00 15.00 C ATOM 193 CE LYS A 13 10.766 5.006 -5.729 1.00 15.00 C ATOM 194 NZ LYS A 13 12.128 5.285 -5.196 1.00 15.00 N ATOM 0 H LYS A 13 7.220 5.722 -9.604 1.00 15.00 H new ATOM 0 HA LYS A 13 8.747 6.093 -7.282 1.00 15.00 H new ATOM 0 HB2 LYS A 13 7.897 3.982 -8.745 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.536 4.076 -9.358 1.00 15.00 H new ATOM 0 HG2 LYS A 13 8.721 3.749 -6.450 1.00 15.00 H new ATOM 0 HG3 LYS A 13 9.405 2.511 -7.484 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.398 3.156 -6.617 1.00 15.00 H new ATOM 0 HD3 LYS A 13 11.290 4.491 -7.747 1.00 15.00 H new ATOM 0 HE2 LYS A 13 10.306 5.939 -6.055 1.00 15.00 H new ATOM 0 HE3 LYS A 13 10.140 4.603 -4.933 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 12.178 4.991 -4.200 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 12.832 4.756 -5.749 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 12.326 6.303 -5.266 1.00 15.00 H new ATOM 208 N ASN A 14 10.281 6.814 -10.066 1.00 15.00 N ATOM 209 CA ASN A 14 11.499 7.391 -10.624 1.00 15.00 C ATOM 210 C ASN A 14 11.562 8.891 -10.361 1.00 15.00 C ATOM 211 O ASN A 14 12.644 9.458 -10.211 1.00 15.00 O ATOM 212 CB ASN A 14 11.572 7.122 -12.128 1.00 15.00 C ATOM 213 CG ASN A 14 12.959 7.361 -12.692 1.00 15.00 C ATOM 214 OD1 ASN A 14 13.715 6.419 -12.931 1.00 15.00 O ATOM 215 ND2 ASN A 14 13.300 8.626 -12.907 1.00 15.00 N ATOM 0 H ASN A 14 9.513 6.724 -10.731 1.00 15.00 H new ATOM 0 HA ASN A 14 12.351 6.919 -10.135 1.00 15.00 H new ATOM 0 HB2 ASN A 14 11.275 6.092 -12.325 1.00 15.00 H new ATOM 0 HB3 ASN A 14 10.858 7.763 -12.644 1.00 15.00 H new ATOM 0 HD21 ASN A 14 14.221 8.849 -13.285 1.00 15.00 H new ATOM 0 HD22 ASN A 14 12.641 9.375 -12.694 1.00 15.00 H new ATOM 222 N ASP A 15 10.399 9.526 -10.292 1.00 15.00 N ATOM 223 CA ASP A 15 10.332 10.958 -10.029 1.00 15.00 C ATOM 224 C ASP A 15 10.547 11.229 -8.545 1.00 15.00 C ATOM 225 O ASP A 15 11.175 12.218 -8.165 1.00 15.00 O ATOM 226 CB ASP A 15 8.983 11.522 -10.477 1.00 15.00 C ATOM 227 CG ASP A 15 9.114 12.886 -11.127 1.00 15.00 C ATOM 228 OD1 ASP A 15 9.548 13.833 -10.437 1.00 15.00 O ATOM 229 OD2 ASP A 15 8.783 13.007 -12.325 1.00 15.00 O ATOM 0 H ASP A 15 9.493 9.074 -10.414 1.00 15.00 H new ATOM 0 HA ASP A 15 11.120 11.452 -10.597 1.00 15.00 H new ATOM 0 HB2 ASP A 15 8.519 10.831 -11.180 1.00 15.00 H new ATOM 0 HB3 ASP A 15 8.319 11.595 -9.616 1.00 15.00 H new ATOM 234 N ASN A 16 10.023 10.336 -7.712 1.00 15.00 N ATOM 235 CA ASN A 16 10.156 10.461 -6.266 1.00 15.00 C ATOM 236 C ASN A 16 9.788 9.150 -5.577 1.00 15.00 C ATOM 237 O ASN A 16 9.051 8.334 -6.129 1.00 15.00 O ATOM 238 CB ASN A 16 9.270 11.597 -5.747 1.00 15.00 C ATOM 239 CG ASN A 16 10.073 12.704 -5.093 1.00 15.00 C ATOM 240 OD1 ASN A 16 11.085 12.450 -4.439 1.00 15.00 O ATOM 241 ND2 ASN A 16 9.626 13.942 -5.267 1.00 15.00 N ATOM 0 H ASN A 16 9.500 9.515 -8.016 1.00 15.00 H new ATOM 0 HA ASN A 16 11.196 10.693 -6.036 1.00 15.00 H new ATOM 0 HB2 ASN A 16 8.693 12.011 -6.574 1.00 15.00 H new ATOM 0 HB3 ASN A 16 8.555 11.197 -5.028 1.00 15.00 H new ATOM 0 HD21 ASN A 16 10.126 14.728 -4.851 1.00 15.00 H new ATOM 0 HD22 ASN A 16 8.783 14.107 -5.817 1.00 15.00 H new ATOM 248 N SER A 17 10.300 8.956 -4.366 1.00 15.00 N ATOM 249 CA SER A 17 10.017 7.746 -3.603 1.00 15.00 C ATOM 250 C SER A 17 8.720 7.907 -2.818 1.00 15.00 C ATOM 251 O SER A 17 7.885 8.740 -3.160 1.00 15.00 O ATOM 252 CB SER A 17 11.173 7.436 -2.649 1.00 15.00 C ATOM 253 OG SER A 17 12.312 8.223 -2.951 1.00 15.00 O ATOM 0 H SER A 17 10.912 9.620 -3.892 1.00 15.00 H new ATOM 0 HA SER A 17 9.905 6.915 -4.300 1.00 15.00 H new ATOM 0 HB2 SER A 17 10.860 7.623 -1.622 1.00 15.00 H new ATOM 0 HB3 SER A 17 11.430 6.379 -2.716 1.00 15.00 H new ATOM 0 HG SER A 17 13.035 8.006 -2.326 1.00 15.00 H new ATOM 259 N LEU A 18 8.551 7.116 -1.764 1.00 15.00 N ATOM 260 CA LEU A 18 7.350 7.200 -0.946 1.00 15.00 C ATOM 261 C LEU A 18 7.670 7.796 0.422 1.00 15.00 C ATOM 262 O LEU A 18 8.741 8.367 0.626 1.00 15.00 O ATOM 263 CB LEU A 18 6.704 5.818 -0.782 1.00 15.00 C ATOM 264 CG LEU A 18 6.586 4.996 -2.068 1.00 15.00 C ATOM 265 CD1 LEU A 18 5.977 5.831 -3.184 1.00 15.00 C ATOM 266 CD2 LEU A 18 7.948 4.459 -2.485 1.00 15.00 C ATOM 0 H LEU A 18 9.226 6.415 -1.459 1.00 15.00 H new ATOM 0 HA LEU A 18 6.642 7.855 -1.455 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.284 5.247 -0.057 1.00 15.00 H new ATOM 0 HB3 LEU A 18 5.707 5.948 -0.361 1.00 15.00 H new ATOM 0 HG LEU A 18 5.927 4.150 -1.875 1.00 15.00 H new ATOM 0 HD11 LEU A 18 5.902 5.229 -4.089 1.00 15.00 H new ATOM 0 HD12 LEU A 18 4.983 6.166 -2.887 1.00 15.00 H new ATOM 0 HD13 LEU A 18 6.609 6.698 -3.376 1.00 15.00 H new ATOM 0 HD21 LEU A 18 7.845 3.877 -3.401 1.00 15.00 H new ATOM 0 HD22 LEU A 18 8.630 5.292 -2.659 1.00 15.00 H new ATOM 0 HD23 LEU A 18 8.346 3.823 -1.694 1.00 15.00 H new ATOM 278 N GLY A 19 6.732 7.663 1.350 1.00 15.00 N ATOM 279 CA GLY A 19 6.924 8.195 2.685 1.00 15.00 C ATOM 280 C GLY A 19 5.810 7.790 3.618 1.00 15.00 C ATOM 281 O GLY A 19 5.287 8.612 4.364 1.00 15.00 O ATOM 0 H GLY A 19 5.838 7.194 1.201 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.876 7.843 3.082 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.980 9.283 2.638 1.00 15.00 H new ATOM 285 N ILE A 20 5.439 6.521 3.558 1.00 15.00 N ATOM 286 CA ILE A 20 4.373 5.990 4.392 1.00 15.00 C ATOM 287 C ILE A 20 4.905 4.995 5.415 1.00 15.00 C ATOM 288 O ILE A 20 5.714 4.125 5.092 1.00 15.00 O ATOM 289 CB ILE A 20 3.289 5.312 3.524 1.00 15.00 C ATOM 290 CG1 ILE A 20 1.921 5.887 3.864 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.292 3.807 3.725 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.766 4.979 3.514 1.00 15.00 C ATOM 0 H ILE A 20 5.865 5.835 2.935 1.00 15.00 H new ATOM 0 HA ILE A 20 3.932 6.831 4.928 1.00 15.00 H new ATOM 0 HB ILE A 20 3.512 5.512 2.476 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.886 6.107 4.931 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.796 6.834 3.339 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.520 3.355 3.102 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.265 3.404 3.445 1.00 15.00 H new ATOM 0 HG23 ILE A 20 3.093 3.579 4.772 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.172 5.462 3.788 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.772 4.779 2.443 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.863 4.040 4.059 1.00 15.00 H new ATOM 304 N SER A 21 4.409 5.101 6.638 1.00 15.00 N ATOM 305 CA SER A 21 4.793 4.180 7.691 1.00 15.00 C ATOM 306 C SER A 21 3.840 2.993 7.644 1.00 15.00 C ATOM 307 O SER A 21 2.669 3.114 8.003 1.00 15.00 O ATOM 308 CB SER A 21 4.745 4.873 9.057 1.00 15.00 C ATOM 309 OG SER A 21 4.948 3.946 10.109 1.00 15.00 O ATOM 0 H SER A 21 3.740 5.816 6.924 1.00 15.00 H new ATOM 0 HA SER A 21 5.817 3.838 7.541 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.509 5.650 9.101 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.781 5.366 9.184 1.00 15.00 H new ATOM 0 HG SER A 21 4.914 4.415 10.969 1.00 15.00 H new ATOM 315 N VAL A 22 4.325 1.862 7.145 1.00 15.00 N ATOM 316 CA VAL A 22 3.480 0.682 6.997 1.00 15.00 C ATOM 317 C VAL A 22 3.561 -0.250 8.197 1.00 15.00 C ATOM 318 O VAL A 22 4.566 -0.295 8.906 1.00 15.00 O ATOM 319 CB VAL A 22 3.845 -0.102 5.725 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.628 0.755 4.488 1.00 15.00 C ATOM 321 CG2 VAL A 22 5.283 -0.589 5.795 1.00 15.00 C ATOM 0 H VAL A 22 5.290 1.737 6.838 1.00 15.00 H new ATOM 0 HA VAL A 22 2.457 1.051 6.923 1.00 15.00 H new ATOM 0 HB VAL A 22 3.191 -0.971 5.656 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.892 0.183 3.598 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.581 1.053 4.431 1.00 15.00 H new ATOM 0 HG13 VAL A 22 4.256 1.644 4.547 1.00 15.00 H new ATOM 0 HG21 VAL A 22 5.525 -1.142 4.887 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.953 0.266 5.888 1.00 15.00 H new ATOM 0 HG23 VAL A 22 5.405 -1.241 6.660 1.00 15.00 H new ATOM 331 N THR A 23 2.476 -0.989 8.416 1.00 15.00 N ATOM 332 CA THR A 23 2.388 -1.924 9.528 1.00 15.00 C ATOM 333 C THR A 23 1.495 -3.115 9.168 1.00 15.00 C ATOM 334 O THR A 23 0.980 -3.204 8.050 1.00 15.00 O ATOM 335 CB THR A 23 1.840 -1.202 10.760 1.00 15.00 C ATOM 336 OG1 THR A 23 0.940 -0.180 10.377 1.00 15.00 O ATOM 337 CG2 THR A 23 2.917 -0.570 11.614 1.00 15.00 C ATOM 0 H THR A 23 1.641 -0.955 7.831 1.00 15.00 H new ATOM 0 HA THR A 23 3.385 -2.305 9.747 1.00 15.00 H new ATOM 0 HB THR A 23 1.340 -1.971 11.349 1.00 15.00 H new ATOM 0 HG1 THR A 23 0.179 -0.166 10.994 1.00 15.00 H new ATOM 0 HG21 THR A 23 2.459 -0.075 12.470 1.00 15.00 H new ATOM 0 HG22 THR A 23 3.603 -1.341 11.965 1.00 15.00 H new ATOM 0 HG23 THR A 23 3.467 0.163 11.023 1.00 15.00 H new ATOM 345 N GLY A 24 1.315 -4.028 10.122 1.00 15.00 N ATOM 346 CA GLY A 24 0.484 -5.199 9.887 1.00 15.00 C ATOM 347 C GLY A 24 1.121 -6.175 8.917 1.00 15.00 C ATOM 348 O GLY A 24 2.208 -6.690 9.174 1.00 15.00 O ATOM 0 H GLY A 24 1.730 -3.978 11.053 1.00 15.00 H new ATOM 0 HA2 GLY A 24 0.296 -5.704 10.835 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.483 -4.882 9.497 1.00 15.00 H new ATOM 352 N GLY A 25 0.447 -6.424 7.797 1.00 15.00 N ATOM 353 CA GLY A 25 0.973 -7.334 6.793 1.00 15.00 C ATOM 354 C GLY A 25 1.047 -8.776 7.259 1.00 15.00 C ATOM 355 O GLY A 25 0.357 -9.640 6.720 1.00 15.00 O ATOM 0 H GLY A 25 -0.456 -6.011 7.566 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.347 -7.280 5.902 1.00 15.00 H new ATOM 0 HA3 GLY A 25 1.970 -7.003 6.502 1.00 15.00 H new ATOM 359 N VAL A 26 1.900 -9.033 8.251 1.00 15.00 N ATOM 360 CA VAL A 26 2.096 -10.381 8.803 1.00 15.00 C ATOM 361 C VAL A 26 0.851 -11.254 8.666 1.00 15.00 C ATOM 362 O VAL A 26 -0.273 -10.787 8.850 1.00 15.00 O ATOM 363 CB VAL A 26 2.503 -10.325 10.290 1.00 15.00 C ATOM 364 CG1 VAL A 26 4.011 -10.448 10.438 1.00 15.00 C ATOM 365 CG2 VAL A 26 2.002 -9.043 10.933 1.00 15.00 C ATOM 0 H VAL A 26 2.475 -8.317 8.696 1.00 15.00 H new ATOM 0 HA VAL A 26 2.900 -10.829 8.218 1.00 15.00 H new ATOM 0 HB VAL A 26 2.041 -11.168 10.804 1.00 15.00 H new ATOM 0 HG11 VAL A 26 4.278 -10.406 11.494 1.00 15.00 H new ATOM 0 HG12 VAL A 26 4.342 -11.398 10.018 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.497 -9.628 9.909 1.00 15.00 H new ATOM 0 HG21 VAL A 26 2.299 -9.022 11.982 1.00 15.00 H new ATOM 0 HG22 VAL A 26 2.432 -8.185 10.417 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.915 -9.001 10.863 1.00 15.00 H new ATOM 375 N ASN A 27 1.066 -12.526 8.341 1.00 15.00 N ATOM 376 CA ASN A 27 -0.029 -13.474 8.174 1.00 15.00 C ATOM 377 C ASN A 27 -0.566 -13.936 9.526 1.00 15.00 C ATOM 378 O ASN A 27 -0.575 -15.130 9.828 1.00 15.00 O ATOM 379 CB ASN A 27 0.442 -14.681 7.360 1.00 15.00 C ATOM 380 CG ASN A 27 -0.681 -15.653 7.056 1.00 15.00 C ATOM 381 OD1 ASN A 27 -1.727 -15.635 7.705 1.00 15.00 O ATOM 382 ND2 ASN A 27 -0.469 -16.510 6.064 1.00 15.00 N ATOM 0 H ASN A 27 1.993 -12.924 8.188 1.00 15.00 H new ATOM 0 HA ASN A 27 -0.835 -12.971 7.640 1.00 15.00 H new ATOM 0 HB2 ASN A 27 0.881 -14.335 6.424 1.00 15.00 H new ATOM 0 HB3 ASN A 27 1.228 -15.200 7.908 1.00 15.00 H new ATOM 0 HD21 ASN A 27 -1.188 -17.188 5.814 1.00 15.00 H new ATOM 0 HD22 ASN A 27 0.413 -16.490 5.552 1.00 15.00 H new ATOM 389 N THR A 28 -1.013 -12.984 10.338 1.00 15.00 N ATOM 390 CA THR A 28 -1.552 -13.295 11.657 1.00 15.00 C ATOM 391 C THR A 28 -2.578 -12.252 12.086 1.00 15.00 C ATOM 392 O THR A 28 -3.672 -12.592 12.538 1.00 15.00 O ATOM 393 CB THR A 28 -0.424 -13.372 12.686 1.00 15.00 C ATOM 394 OG1 THR A 28 0.697 -14.053 12.151 1.00 15.00 O ATOM 395 CG2 THR A 28 -0.826 -14.080 13.962 1.00 15.00 C ATOM 0 H THR A 28 -1.013 -11.991 10.106 1.00 15.00 H new ATOM 0 HA THR A 28 -2.049 -14.263 11.600 1.00 15.00 H new ATOM 0 HB THR A 28 -0.180 -12.337 12.925 1.00 15.00 H new ATOM 0 HG1 THR A 28 1.409 -14.091 12.824 1.00 15.00 H new ATOM 0 HG21 THR A 28 0.020 -14.100 14.649 1.00 15.00 H new ATOM 0 HG22 THR A 28 -1.658 -13.550 14.426 1.00 15.00 H new ATOM 0 HG23 THR A 28 -1.130 -15.101 13.731 1.00 15.00 H new ATOM 403 N SER A 29 -2.217 -10.981 11.946 1.00 15.00 N ATOM 404 CA SER A 29 -3.104 -9.886 12.322 1.00 15.00 C ATOM 405 C SER A 29 -4.096 -9.576 11.205 1.00 15.00 C ATOM 406 O SER A 29 -5.293 -9.425 11.449 1.00 15.00 O ATOM 407 CB SER A 29 -2.290 -8.635 12.657 1.00 15.00 C ATOM 408 OG SER A 29 -1.320 -8.910 13.653 1.00 15.00 O ATOM 0 H SER A 29 -1.315 -10.683 11.574 1.00 15.00 H new ATOM 0 HA SER A 29 -3.665 -10.195 13.204 1.00 15.00 H new ATOM 0 HB2 SER A 29 -1.798 -8.266 11.757 1.00 15.00 H new ATOM 0 HB3 SER A 29 -2.957 -7.845 13.002 1.00 15.00 H new ATOM 0 HG SER A 29 -0.812 -8.095 13.848 1.00 15.00 H new ATOM 414 N VAL A 30 -3.591 -9.481 9.980 1.00 15.00 N ATOM 415 CA VAL A 30 -4.434 -9.186 8.828 1.00 15.00 C ATOM 416 C VAL A 30 -5.348 -10.363 8.498 1.00 15.00 C ATOM 417 O VAL A 30 -5.387 -11.354 9.228 1.00 15.00 O ATOM 418 CB VAL A 30 -3.588 -8.836 7.587 1.00 15.00 C ATOM 419 CG1 VAL A 30 -2.724 -7.614 7.860 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.730 -10.021 7.169 1.00 15.00 C ATOM 0 H VAL A 30 -2.603 -9.604 9.760 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.044 -8.323 9.095 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.264 -8.601 6.765 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.133 -7.381 6.974 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.362 -6.765 8.105 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -2.057 -7.820 8.697 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -2.141 -9.753 6.292 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -2.061 -10.292 7.986 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.372 -10.869 6.929 1.00 15.00 H new ATOM 430 N ARG A 31 -6.082 -10.246 7.397 1.00 15.00 N ATOM 431 CA ARG A 31 -6.997 -11.300 6.972 1.00 15.00 C ATOM 432 C ARG A 31 -6.233 -12.548 6.541 1.00 15.00 C ATOM 433 O ARG A 31 -6.594 -13.666 6.909 1.00 15.00 O ATOM 434 CB ARG A 31 -7.879 -10.804 5.824 1.00 15.00 C ATOM 435 CG ARG A 31 -8.458 -9.417 6.054 1.00 15.00 C ATOM 436 CD ARG A 31 -9.186 -9.330 7.386 1.00 15.00 C ATOM 437 NE ARG A 31 -8.294 -8.937 8.474 1.00 15.00 N ATOM 438 CZ ARG A 31 -7.911 -7.683 8.701 1.00 15.00 C ATOM 439 NH1 ARG A 31 -8.339 -6.699 7.920 1.00 15.00 N ATOM 440 NH2 ARG A 31 -7.097 -7.411 9.713 1.00 15.00 N ATOM 0 H ARG A 31 -6.062 -9.432 6.782 1.00 15.00 H new ATOM 0 HA ARG A 31 -7.629 -11.562 7.821 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -7.293 -10.796 4.905 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -8.697 -11.509 5.675 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -7.657 -8.678 6.027 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -9.146 -9.170 5.245 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -10.001 -8.610 7.307 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -9.635 -10.296 7.617 1.00 15.00 H new ATOM 0 HE ARG A 31 -7.944 -9.666 9.096 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -8.965 -6.902 7.141 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -8.042 -5.740 8.099 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -6.765 -8.163 10.317 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -6.803 -6.450 9.887 1.00 15.00 H new ATOM 454 N HIS A 32 -5.176 -12.351 5.758 1.00 15.00 N ATOM 455 CA HIS A 32 -4.365 -13.464 5.278 1.00 15.00 C ATOM 456 C HIS A 32 -2.888 -13.083 5.228 1.00 15.00 C ATOM 457 O HIS A 32 -2.079 -13.600 5.996 1.00 15.00 O ATOM 458 CB HIS A 32 -4.836 -13.905 3.891 1.00 15.00 C ATOM 459 CG HIS A 32 -6.304 -14.191 3.822 1.00 15.00 C ATOM 460 ND1 HIS A 32 -7.257 -13.207 3.655 1.00 15.00 N ATOM 461 CD2 HIS A 32 -6.984 -15.360 3.897 1.00 15.00 C ATOM 462 CE1 HIS A 32 -8.457 -13.759 3.631 1.00 15.00 C ATOM 463 NE2 HIS A 32 -8.319 -15.064 3.776 1.00 15.00 N ATOM 0 H HIS A 32 -4.862 -11.433 5.443 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.484 -14.293 5.976 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -4.591 -13.127 3.168 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -4.286 -14.798 3.596 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -6.555 -16.343 4.028 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -9.392 -13.232 3.513 1.00 15.00 H new ATOM 0 HE2 HIS A 32 -9.081 -15.742 3.795 1.00 15.00 H new ATOM 472 N GLY A 33 -2.545 -12.180 4.317 1.00 15.00 N ATOM 473 CA GLY A 33 -1.164 -11.746 4.179 1.00 15.00 C ATOM 474 C GLY A 33 -1.039 -10.431 3.433 1.00 15.00 C ATOM 475 O GLY A 33 0.034 -10.092 2.936 1.00 15.00 O ATOM 0 H GLY A 33 -3.198 -11.739 3.670 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.719 -11.642 5.168 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.596 -12.514 3.653 1.00 15.00 H new ATOM 479 N GLY A 34 -2.132 -9.676 3.370 1.00 15.00 N ATOM 480 CA GLY A 34 -2.102 -8.392 2.700 1.00 15.00 C ATOM 481 C GLY A 34 -1.580 -7.317 3.625 1.00 15.00 C ATOM 482 O GLY A 34 -1.741 -7.420 4.841 1.00 15.00 O ATOM 0 H GLY A 34 -3.035 -9.931 3.770 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.471 -8.454 1.814 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.104 -8.131 2.360 1.00 15.00 H new ATOM 486 N ILE A 35 -0.943 -6.292 3.075 1.00 15.00 N ATOM 487 CA ILE A 35 -0.404 -5.233 3.916 1.00 15.00 C ATOM 488 C ILE A 35 -1.445 -4.174 4.222 1.00 15.00 C ATOM 489 O ILE A 35 -2.391 -3.967 3.463 1.00 15.00 O ATOM 490 CB ILE A 35 0.842 -4.560 3.296 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.940 -4.422 4.362 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.493 -3.205 2.682 1.00 15.00 C ATOM 493 CD1 ILE A 35 2.045 -3.043 4.984 1.00 15.00 C ATOM 0 H ILE A 35 -0.789 -6.172 2.074 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.104 -5.719 4.845 1.00 15.00 H new ATOM 0 HB ILE A 35 1.215 -5.191 2.489 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.755 -5.150 5.152 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.899 -4.677 3.912 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.390 -2.757 2.254 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.253 -3.342 1.899 1.00 15.00 H new ATOM 0 HG23 ILE A 35 0.092 -2.548 3.454 1.00 15.00 H new ATOM 0 HD11 ILE A 35 2.845 -3.038 5.724 1.00 15.00 H new ATOM 0 HD12 ILE A 35 2.264 -2.310 4.208 1.00 15.00 H new ATOM 0 HD13 ILE A 35 1.102 -2.789 5.467 1.00 15.00 H new ATOM 505 N TYR A 36 -1.240 -3.494 5.335 1.00 15.00 N ATOM 506 CA TYR A 36 -2.132 -2.432 5.754 1.00 15.00 C ATOM 507 C TYR A 36 -1.325 -1.274 6.307 1.00 15.00 C ATOM 508 O TYR A 36 -0.765 -1.358 7.400 1.00 15.00 O ATOM 509 CB TYR A 36 -3.121 -2.935 6.804 1.00 15.00 C ATOM 510 CG TYR A 36 -4.092 -3.961 6.272 1.00 15.00 C ATOM 511 CD1 TYR A 36 -3.672 -5.248 5.966 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.427 -3.640 6.072 1.00 15.00 C ATOM 513 CE1 TYR A 36 -4.556 -6.188 5.477 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.318 -4.575 5.584 1.00 15.00 C ATOM 515 CZ TYR A 36 -5.878 -5.848 5.287 1.00 15.00 C ATOM 516 OH TYR A 36 -6.763 -6.782 4.801 1.00 15.00 O ATOM 0 H TYR A 36 -0.458 -3.661 5.968 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.700 -2.093 4.888 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -2.566 -3.368 7.636 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -3.681 -2.088 7.200 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -2.637 -5.518 6.113 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -5.774 -2.644 6.302 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.213 -7.185 5.244 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.355 -4.311 5.436 1.00 15.00 H new ATOM 0 HH TYR A 36 -6.293 -7.628 4.645 1.00 15.00 H new ATOM 526 N VAL A 37 -1.250 -0.199 5.539 1.00 15.00 N ATOM 527 CA VAL A 37 -0.486 0.968 5.956 1.00 15.00 C ATOM 528 C VAL A 37 -0.947 1.464 7.320 1.00 15.00 C ATOM 529 O VAL A 37 -2.126 1.397 7.653 1.00 15.00 O ATOM 530 CB VAL A 37 -0.551 2.133 4.922 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.849 1.628 3.524 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.558 3.202 5.307 1.00 15.00 C ATOM 0 H VAL A 37 -1.705 -0.109 4.630 1.00 15.00 H new ATOM 0 HA VAL A 37 0.553 0.644 6.020 1.00 15.00 H new ATOM 0 HB VAL A 37 0.439 2.588 4.928 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.886 2.470 2.833 1.00 15.00 H new ATOM 0 HG12 VAL A 37 -0.066 0.937 3.212 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.810 1.113 3.520 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.561 3.988 4.552 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.552 2.759 5.373 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.285 3.628 6.273 1.00 15.00 H new ATOM 542 N LYS A 38 -0.013 1.982 8.099 1.00 15.00 N ATOM 543 CA LYS A 38 -0.342 2.513 9.407 1.00 15.00 C ATOM 544 C LYS A 38 -0.916 3.913 9.230 1.00 15.00 C ATOM 545 O LYS A 38 -1.950 4.249 9.804 1.00 15.00 O ATOM 546 CB LYS A 38 0.892 2.493 10.329 1.00 15.00 C ATOM 547 CG LYS A 38 1.529 3.851 10.615 1.00 15.00 C ATOM 548 CD LYS A 38 1.955 3.963 12.070 1.00 15.00 C ATOM 549 CE LYS A 38 1.071 4.936 12.835 1.00 15.00 C ATOM 550 NZ LYS A 38 1.270 4.829 14.306 1.00 15.00 N ATOM 0 H LYS A 38 0.974 2.045 7.849 1.00 15.00 H new ATOM 0 HA LYS A 38 -1.094 1.890 9.892 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.606 2.040 11.278 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.646 1.846 9.881 1.00 15.00 H new ATOM 0 HG2 LYS A 38 2.395 3.993 9.968 1.00 15.00 H new ATOM 0 HG3 LYS A 38 0.821 4.645 10.379 1.00 15.00 H new ATOM 0 HD2 LYS A 38 1.909 2.981 12.540 1.00 15.00 H new ATOM 0 HD3 LYS A 38 2.992 4.294 12.122 1.00 15.00 H new ATOM 0 HE2 LYS A 38 1.288 5.954 12.513 1.00 15.00 H new ATOM 0 HE3 LYS A 38 0.026 4.742 12.595 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 0.649 5.508 14.791 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 1.038 3.865 14.618 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 2.262 5.039 14.538 1.00 15.00 H new ATOM 564 N ALA A 39 -0.244 4.714 8.406 1.00 15.00 N ATOM 565 CA ALA A 39 -0.693 6.066 8.116 1.00 15.00 C ATOM 566 C ALA A 39 0.149 6.673 7.005 1.00 15.00 C ATOM 567 O ALA A 39 1.163 6.102 6.615 1.00 15.00 O ATOM 568 CB ALA A 39 -0.648 6.925 9.366 1.00 15.00 C ATOM 0 H ALA A 39 0.616 4.445 7.928 1.00 15.00 H new ATOM 0 HA ALA A 39 -1.728 6.025 7.777 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -0.988 7.933 9.127 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.298 6.494 10.127 1.00 15.00 H new ATOM 0 HB3 ALA A 39 0.374 6.966 9.742 1.00 15.00 H new ATOM 574 N VAL A 40 -0.258 7.838 6.515 1.00 15.00 N ATOM 575 CA VAL A 40 0.487 8.518 5.459 1.00 15.00 C ATOM 576 C VAL A 40 1.403 9.558 6.086 1.00 15.00 C ATOM 577 O VAL A 40 0.942 10.556 6.642 1.00 15.00 O ATOM 578 CB VAL A 40 -0.435 9.203 4.418 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.317 8.517 3.065 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.884 9.214 4.884 1.00 15.00 C ATOM 0 H VAL A 40 -1.094 8.330 6.829 1.00 15.00 H new ATOM 0 HA VAL A 40 1.064 7.761 4.927 1.00 15.00 H new ATOM 0 HB VAL A 40 -0.108 10.238 4.315 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -0.972 9.012 2.348 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.714 8.576 2.716 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.609 7.471 3.161 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.504 9.701 4.132 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -2.227 8.190 5.029 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -1.959 9.759 5.825 1.00 15.00 H new ATOM 590 N ILE A 41 2.700 9.286 6.044 1.00 15.00 N ATOM 591 CA ILE A 41 3.684 10.162 6.660 1.00 15.00 C ATOM 592 C ILE A 41 3.991 11.406 5.826 1.00 15.00 C ATOM 593 O ILE A 41 4.483 11.312 4.699 1.00 15.00 O ATOM 594 CB ILE A 41 4.978 9.371 6.990 1.00 15.00 C ATOM 595 CG1 ILE A 41 4.766 8.471 8.217 1.00 15.00 C ATOM 596 CG2 ILE A 41 6.163 10.296 7.219 1.00 15.00 C ATOM 597 CD1 ILE A 41 3.355 7.936 8.360 1.00 15.00 C ATOM 0 H ILE A 41 3.095 8.463 5.588 1.00 15.00 H new ATOM 0 HA ILE A 41 3.245 10.528 7.588 1.00 15.00 H new ATOM 0 HB ILE A 41 5.204 8.747 6.126 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.457 7.630 8.160 1.00 15.00 H new ATOM 0 HG13 ILE A 41 5.022 9.034 9.115 1.00 15.00 H new ATOM 0 HG21 ILE A 41 7.049 9.703 7.447 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.343 10.886 6.320 1.00 15.00 H new ATOM 0 HG23 ILE A 41 5.948 10.963 8.054 1.00 15.00 H new ATOM 0 HD11 ILE A 41 3.291 7.311 9.251 1.00 15.00 H new ATOM 0 HD12 ILE A 41 2.658 8.769 8.451 1.00 15.00 H new ATOM 0 HD13 ILE A 41 3.100 7.343 7.482 1.00 15.00 H new ATOM 609 N PRO A 42 3.702 12.601 6.400 1.00 15.00 N ATOM 610 CA PRO A 42 3.935 13.895 5.743 1.00 15.00 C ATOM 611 C PRO A 42 5.414 14.174 5.495 1.00 15.00 C ATOM 612 O PRO A 42 5.963 15.155 5.999 1.00 15.00 O ATOM 613 CB PRO A 42 3.361 14.916 6.732 1.00 15.00 C ATOM 614 CG PRO A 42 3.377 14.225 8.048 1.00 15.00 C ATOM 615 CD PRO A 42 3.125 12.777 7.749 1.00 15.00 C ATOM 0 HA PRO A 42 3.472 13.928 4.757 1.00 15.00 H new ATOM 0 HB2 PRO A 42 3.963 15.825 6.756 1.00 15.00 H new ATOM 0 HB3 PRO A 42 2.349 15.211 6.453 1.00 15.00 H new ATOM 0 HG2 PRO A 42 4.335 14.360 8.550 1.00 15.00 H new ATOM 0 HG3 PRO A 42 2.611 14.627 8.711 1.00 15.00 H new ATOM 0 HD2 PRO A 42 3.605 12.126 8.480 1.00 15.00 H new ATOM 0 HD3 PRO A 42 2.061 12.543 7.765 1.00 15.00 H new ATOM 623 N GLN A 43 6.058 13.311 4.718 1.00 15.00 N ATOM 624 CA GLN A 43 7.469 13.474 4.410 1.00 15.00 C ATOM 625 C GLN A 43 7.793 12.958 3.009 1.00 15.00 C ATOM 626 O GLN A 43 8.488 13.622 2.240 1.00 15.00 O ATOM 627 CB GLN A 43 8.320 12.741 5.450 1.00 15.00 C ATOM 628 CG GLN A 43 9.797 12.681 5.100 1.00 15.00 C ATOM 629 CD GLN A 43 10.635 12.067 6.205 1.00 15.00 C ATOM 630 OE1 GLN A 43 11.668 12.612 6.593 1.00 15.00 O ATOM 631 NE2 GLN A 43 10.193 10.924 6.717 1.00 15.00 N ATOM 0 H GLN A 43 5.624 12.493 4.291 1.00 15.00 H new ATOM 0 HA GLN A 43 7.701 14.539 4.439 1.00 15.00 H new ATOM 0 HB2 GLN A 43 8.204 13.235 6.414 1.00 15.00 H new ATOM 0 HB3 GLN A 43 7.942 11.725 5.565 1.00 15.00 H new ATOM 0 HG2 GLN A 43 9.927 12.101 4.186 1.00 15.00 H new ATOM 0 HG3 GLN A 43 10.158 13.688 4.892 1.00 15.00 H new ATOM 0 HE21 GLN A 43 9.331 10.507 6.365 1.00 15.00 H new ATOM 0 HE22 GLN A 43 10.715 10.463 7.462 1.00 15.00 H new ATOM 640 N GLY A 44 7.299 11.766 2.686 1.00 15.00 N ATOM 641 CA GLY A 44 7.569 11.188 1.379 1.00 15.00 C ATOM 642 C GLY A 44 6.573 11.594 0.312 1.00 15.00 C ATOM 643 O GLY A 44 5.528 12.177 0.601 1.00 15.00 O ATOM 0 H GLY A 44 6.721 11.193 3.300 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.569 11.484 1.061 1.00 15.00 H new ATOM 0 HA3 GLY A 44 7.571 10.101 1.466 1.00 15.00 H new ATOM 647 N ALA A 45 6.911 11.268 -0.929 1.00 15.00 N ATOM 648 CA ALA A 45 6.071 11.586 -2.082 1.00 15.00 C ATOM 649 C ALA A 45 4.683 10.959 -1.983 1.00 15.00 C ATOM 650 O ALA A 45 3.782 11.318 -2.741 1.00 15.00 O ATOM 651 CB ALA A 45 6.752 11.134 -3.362 1.00 15.00 C ATOM 0 H ALA A 45 7.773 10.777 -1.167 1.00 15.00 H new ATOM 0 HA ALA A 45 5.938 12.668 -2.095 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.119 11.375 -4.216 1.00 15.00 H new ATOM 0 HB2 ALA A 45 7.709 11.645 -3.465 1.00 15.00 H new ATOM 0 HB3 ALA A 45 6.917 10.057 -3.326 1.00 15.00 H new ATOM 657 N ALA A 46 4.508 10.022 -1.058 1.00 15.00 N ATOM 658 CA ALA A 46 3.220 9.365 -0.893 1.00 15.00 C ATOM 659 C ALA A 46 2.210 10.317 -0.269 1.00 15.00 C ATOM 660 O ALA A 46 1.145 10.568 -0.840 1.00 15.00 O ATOM 661 CB ALA A 46 3.368 8.116 -0.039 1.00 15.00 C ATOM 0 H ALA A 46 5.235 9.704 -0.417 1.00 15.00 H new ATOM 0 HA ALA A 46 2.855 9.072 -1.877 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.396 7.636 0.075 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.059 7.425 -0.521 1.00 15.00 H new ATOM 0 HB3 ALA A 46 3.755 8.390 0.943 1.00 15.00 H new ATOM 667 N GLU A 47 2.559 10.855 0.899 1.00 15.00 N ATOM 668 CA GLU A 47 1.693 11.801 1.596 1.00 15.00 C ATOM 669 C GLU A 47 1.394 13.006 0.703 1.00 15.00 C ATOM 670 O GLU A 47 0.258 13.472 0.627 1.00 15.00 O ATOM 671 CB GLU A 47 2.348 12.273 2.904 1.00 15.00 C ATOM 672 CG GLU A 47 3.571 13.139 2.662 1.00 15.00 C ATOM 673 CD GLU A 47 3.225 14.606 2.486 1.00 15.00 C ATOM 674 OE1 GLU A 47 2.099 14.999 2.857 1.00 15.00 O ATOM 675 OE2 GLU A 47 4.080 15.361 1.978 1.00 15.00 O ATOM 0 H GLU A 47 3.435 10.651 1.381 1.00 15.00 H new ATOM 0 HA GLU A 47 0.758 11.294 1.835 1.00 15.00 H new ATOM 0 HB2 GLU A 47 1.620 12.834 3.490 1.00 15.00 H new ATOM 0 HB3 GLU A 47 2.633 11.405 3.498 1.00 15.00 H new ATOM 0 HG2 GLU A 47 4.259 13.030 3.500 1.00 15.00 H new ATOM 0 HG3 GLU A 47 4.092 12.784 1.773 1.00 15.00 H new ATOM 682 N SER A 48 2.437 13.510 0.037 1.00 15.00 N ATOM 683 CA SER A 48 2.307 14.667 -0.845 1.00 15.00 C ATOM 684 C SER A 48 1.214 14.434 -1.874 1.00 15.00 C ATOM 685 O SER A 48 0.144 15.039 -1.804 1.00 15.00 O ATOM 686 CB SER A 48 3.635 14.951 -1.548 1.00 15.00 C ATOM 687 OG SER A 48 4.667 15.199 -0.608 1.00 15.00 O ATOM 0 H SER A 48 3.382 13.131 0.094 1.00 15.00 H new ATOM 0 HA SER A 48 2.036 15.531 -0.238 1.00 15.00 H new ATOM 0 HB2 SER A 48 3.907 14.102 -2.176 1.00 15.00 H new ATOM 0 HB3 SER A 48 3.524 15.812 -2.207 1.00 15.00 H new ATOM 0 HG SER A 48 4.329 15.042 0.298 1.00 15.00 H new ATOM 693 N ASP A 49 1.476 13.537 -2.817 1.00 15.00 N ATOM 694 CA ASP A 49 0.494 13.216 -3.838 1.00 15.00 C ATOM 695 C ASP A 49 -0.778 12.723 -3.166 1.00 15.00 C ATOM 696 O ASP A 49 -1.889 13.082 -3.559 1.00 15.00 O ATOM 697 CB ASP A 49 1.037 12.148 -4.789 1.00 15.00 C ATOM 698 CG ASP A 49 0.623 12.391 -6.227 1.00 15.00 C ATOM 699 OD1 ASP A 49 -0.436 13.017 -6.442 1.00 15.00 O ATOM 700 OD2 ASP A 49 1.358 11.955 -7.138 1.00 15.00 O ATOM 0 H ASP A 49 2.354 13.024 -2.894 1.00 15.00 H new ATOM 0 HA ASP A 49 0.277 14.110 -4.422 1.00 15.00 H new ATOM 0 HB2 ASP A 49 2.125 12.128 -4.725 1.00 15.00 H new ATOM 0 HB3 ASP A 49 0.681 11.168 -4.472 1.00 15.00 H new ATOM 705 N GLY A 50 -0.595 11.906 -2.134 1.00 15.00 N ATOM 706 CA GLY A 50 -1.718 11.375 -1.394 1.00 15.00 C ATOM 707 C GLY A 50 -2.345 10.193 -2.098 1.00 15.00 C ATOM 708 O GLY A 50 -3.568 10.052 -2.121 1.00 15.00 O ATOM 0 H GLY A 50 0.319 11.602 -1.797 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.388 11.073 -0.400 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -2.466 12.156 -1.258 1.00 15.00 H new ATOM 712 N ARG A 51 -1.508 9.346 -2.686 1.00 15.00 N ATOM 713 CA ARG A 51 -2.000 8.176 -3.407 1.00 15.00 C ATOM 714 C ARG A 51 -2.355 7.060 -2.436 1.00 15.00 C ATOM 715 O ARG A 51 -3.453 6.507 -2.481 1.00 15.00 O ATOM 716 CB ARG A 51 -0.960 7.682 -4.415 1.00 15.00 C ATOM 717 CG ARG A 51 -0.840 8.562 -5.648 1.00 15.00 C ATOM 718 CD ARG A 51 -1.885 8.206 -6.694 1.00 15.00 C ATOM 719 NE ARG A 51 -2.646 9.376 -7.123 1.00 15.00 N ATOM 720 CZ ARG A 51 -3.331 9.439 -8.262 1.00 15.00 C ATOM 721 NH1 ARG A 51 -3.355 8.400 -9.089 1.00 15.00 N ATOM 722 NH2 ARG A 51 -3.995 10.543 -8.577 1.00 15.00 N ATOM 0 H ARG A 51 -0.493 9.445 -2.679 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.899 8.468 -3.950 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.011 7.625 -3.924 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -1.220 6.670 -4.725 1.00 15.00 H new ATOM 0 HG2 ARG A 51 -0.953 9.608 -5.362 1.00 15.00 H new ATOM 0 HG3 ARG A 51 0.156 8.454 -6.077 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -1.396 7.755 -7.557 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -2.566 7.459 -6.287 1.00 15.00 H new ATOM 0 HE ARG A 51 -2.653 10.194 -6.513 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -2.847 7.548 -8.852 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -3.882 8.454 -9.961 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -3.981 11.344 -7.946 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -4.520 10.591 -9.450 1.00 15.00 H new ATOM 736 N ILE A 52 -1.421 6.743 -1.551 1.00 15.00 N ATOM 737 CA ILE A 52 -1.629 5.707 -0.560 1.00 15.00 C ATOM 738 C ILE A 52 -2.432 6.260 0.618 1.00 15.00 C ATOM 739 O ILE A 52 -2.483 7.473 0.824 1.00 15.00 O ATOM 740 CB ILE A 52 -0.278 5.148 -0.079 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.489 3.890 0.753 1.00 15.00 C ATOM 742 CG2 ILE A 52 0.496 6.203 0.700 1.00 15.00 C ATOM 743 CD1 ILE A 52 -1.151 2.770 -0.015 1.00 15.00 C ATOM 0 H ILE A 52 -0.507 7.194 -1.502 1.00 15.00 H new ATOM 0 HA ILE A 52 -2.195 4.894 -1.015 1.00 15.00 H new ATOM 0 HB ILE A 52 0.317 4.879 -0.952 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.475 3.545 1.127 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -1.099 4.136 1.622 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.447 5.786 1.030 1.00 15.00 H new ATOM 0 HG22 ILE A 52 0.680 7.066 0.060 1.00 15.00 H new ATOM 0 HG23 ILE A 52 -0.085 6.513 1.568 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -1.272 1.904 0.636 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -2.129 3.099 -0.367 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -0.531 2.498 -0.869 1.00 15.00 H new ATOM 755 N HIS A 53 -3.078 5.378 1.377 1.00 15.00 N ATOM 756 CA HIS A 53 -3.892 5.812 2.509 1.00 15.00 C ATOM 757 C HIS A 53 -3.848 4.829 3.661 1.00 15.00 C ATOM 758 O HIS A 53 -3.501 3.661 3.498 1.00 15.00 O ATOM 759 CB HIS A 53 -5.339 6.037 2.068 1.00 15.00 C ATOM 760 CG HIS A 53 -5.500 7.165 1.097 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.353 7.012 -0.266 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.798 8.471 1.298 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.552 8.175 -0.861 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.824 9.076 0.065 1.00 15.00 N ATOM 0 H HIS A 53 -3.055 4.369 1.231 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.469 6.751 2.865 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.719 5.121 1.615 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -5.952 6.235 2.947 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -5.981 8.948 2.250 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.501 8.358 -1.924 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -6.021 10.062 -0.107 1.00 15.00 H new ATOM 773 N LYS A 54 -4.190 5.348 4.832 1.00 15.00 N ATOM 774 CA LYS A 54 -4.187 4.588 6.070 1.00 15.00 C ATOM 775 C LYS A 54 -4.761 3.178 5.908 1.00 15.00 C ATOM 776 O LYS A 54 -5.830 2.990 5.328 1.00 15.00 O ATOM 777 CB LYS A 54 -4.977 5.343 7.144 1.00 15.00 C ATOM 778 CG LYS A 54 -4.106 5.965 8.221 1.00 15.00 C ATOM 779 CD LYS A 54 -4.927 6.378 9.431 1.00 15.00 C ATOM 780 CE LYS A 54 -4.903 5.308 10.510 1.00 15.00 C ATOM 781 NZ LYS A 54 -5.172 5.875 11.861 1.00 15.00 N ATOM 0 H LYS A 54 -4.480 6.319 4.948 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.145 4.477 6.370 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.564 6.128 6.666 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.683 4.657 7.612 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -3.339 5.253 8.526 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -3.590 6.835 7.816 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -4.538 7.313 9.835 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -5.956 6.567 9.127 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -5.648 4.545 10.282 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -3.931 4.815 10.510 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -5.147 5.113 12.569 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -4.447 6.585 12.090 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -6.110 6.324 11.869 1.00 15.00 H new ATOM 795 N GLY A 55 -4.039 2.194 6.447 1.00 15.00 N ATOM 796 CA GLY A 55 -4.476 0.809 6.382 1.00 15.00 C ATOM 797 C GLY A 55 -4.867 0.371 4.990 1.00 15.00 C ATOM 798 O GLY A 55 -5.738 -0.484 4.827 1.00 15.00 O ATOM 0 H GLY A 55 -3.152 2.335 6.931 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.676 0.165 6.747 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.326 0.671 7.051 1.00 15.00 H new ATOM 802 N ASP A 56 -4.225 0.943 3.982 1.00 15.00 N ATOM 803 CA ASP A 56 -4.526 0.578 2.606 1.00 15.00 C ATOM 804 C ASP A 56 -4.133 -0.871 2.339 1.00 15.00 C ATOM 805 O ASP A 56 -3.010 -1.282 2.640 1.00 15.00 O ATOM 806 CB ASP A 56 -3.812 1.513 1.629 1.00 15.00 C ATOM 807 CG ASP A 56 -4.720 2.619 1.125 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.900 2.653 1.532 1.00 15.00 O ATOM 809 OD2 ASP A 56 -4.250 3.450 0.322 1.00 15.00 O ATOM 0 H ASP A 56 -3.501 1.653 4.088 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.601 0.679 2.454 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -2.944 1.953 2.119 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -3.441 0.936 0.782 1.00 15.00 H new ATOM 814 N ARG A 57 -5.064 -1.639 1.778 1.00 15.00 N ATOM 815 CA ARG A 57 -4.816 -3.044 1.472 1.00 15.00 C ATOM 816 C ARG A 57 -4.080 -3.184 0.144 1.00 15.00 C ATOM 817 O ARG A 57 -4.699 -3.184 -0.920 1.00 15.00 O ATOM 818 CB ARG A 57 -6.135 -3.822 1.418 1.00 15.00 C ATOM 819 CG ARG A 57 -7.160 -3.372 2.448 1.00 15.00 C ATOM 820 CD ARG A 57 -8.493 -4.078 2.256 1.00 15.00 C ATOM 821 NE ARG A 57 -8.816 -4.959 3.376 1.00 15.00 N ATOM 822 CZ ARG A 57 -10.056 -5.318 3.704 1.00 15.00 C ATOM 823 NH1 ARG A 57 -11.091 -4.882 2.997 1.00 15.00 N ATOM 824 NH2 ARG A 57 -10.261 -6.119 4.741 1.00 15.00 N ATOM 0 H ARG A 57 -5.997 -1.311 1.526 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.192 -3.457 2.265 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.566 -3.718 0.422 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -5.927 -4.882 1.566 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -6.782 -3.573 3.450 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -7.304 -2.294 2.372 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -9.282 -3.335 2.140 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -8.465 -4.660 1.335 1.00 15.00 H new ATOM 0 HE ARG A 57 -8.047 -5.320 3.940 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -10.940 -4.268 2.197 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -12.038 -5.161 3.254 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -9.469 -6.460 5.287 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -11.210 -6.394 4.993 1.00 15.00 H new ATOM 838 N VAL A 58 -2.758 -3.302 0.209 1.00 15.00 N ATOM 839 CA VAL A 58 -1.950 -3.441 -0.997 1.00 15.00 C ATOM 840 C VAL A 58 -1.848 -4.906 -1.418 1.00 15.00 C ATOM 841 O VAL A 58 -1.327 -5.745 -0.676 1.00 15.00 O ATOM 842 CB VAL A 58 -0.537 -2.834 -0.814 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.603 -1.569 0.031 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.426 -3.839 -0.194 1.00 15.00 C ATOM 0 H VAL A 58 -2.226 -3.304 1.079 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.452 -2.884 -1.788 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.158 -2.575 -1.803 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.399 -1.157 0.148 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.241 -0.835 -0.461 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.014 -1.808 1.012 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.408 -3.380 -0.080 1.00 15.00 H new ATOM 0 HG22 VAL A 58 0.053 -4.145 0.783 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.507 -4.712 -0.841 1.00 15.00 H new ATOM 854 N LEU A 59 -2.375 -5.209 -2.602 1.00 15.00 N ATOM 855 CA LEU A 59 -2.364 -6.576 -3.117 1.00 15.00 C ATOM 856 C LEU A 59 -1.360 -6.764 -4.256 1.00 15.00 C ATOM 857 O LEU A 59 -1.019 -7.895 -4.602 1.00 15.00 O ATOM 858 CB LEU A 59 -3.762 -6.973 -3.593 1.00 15.00 C ATOM 859 CG LEU A 59 -4.789 -7.187 -2.480 1.00 15.00 C ATOM 860 CD1 LEU A 59 -4.381 -8.354 -1.594 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.951 -5.920 -1.654 1.00 15.00 C ATOM 0 H LEU A 59 -2.814 -4.528 -3.222 1.00 15.00 H new ATOM 0 HA LEU A 59 -2.054 -7.222 -2.296 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -4.133 -6.200 -4.265 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.684 -7.891 -4.176 1.00 15.00 H new ATOM 0 HG LEU A 59 -5.749 -7.424 -2.938 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -5.124 -8.491 -0.808 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -4.316 -9.261 -2.194 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -3.410 -8.147 -1.144 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.685 -6.090 -0.867 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -3.994 -5.653 -1.206 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -5.290 -5.108 -2.297 1.00 15.00 H new ATOM 873 N ALA A 60 -0.905 -5.668 -4.858 1.00 15.00 N ATOM 874 CA ALA A 60 0.037 -5.757 -5.972 1.00 15.00 C ATOM 875 C ALA A 60 0.981 -4.559 -6.033 1.00 15.00 C ATOM 876 O ALA A 60 0.616 -3.441 -5.672 1.00 15.00 O ATOM 877 CB ALA A 60 -0.724 -5.889 -7.281 1.00 15.00 C ATOM 0 H ALA A 60 -1.169 -4.718 -4.598 1.00 15.00 H new ATOM 0 HA ALA A 60 0.652 -6.642 -5.810 1.00 15.00 H new ATOM 0 HB1 ALA A 60 -0.017 -5.955 -8.108 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.338 -6.789 -7.256 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.364 -5.017 -7.419 1.00 15.00 H new ATOM 883 N VAL A 61 2.194 -4.811 -6.519 1.00 15.00 N ATOM 884 CA VAL A 61 3.210 -3.775 -6.669 1.00 15.00 C ATOM 885 C VAL A 61 3.941 -3.972 -7.985 1.00 15.00 C ATOM 886 O VAL A 61 4.792 -4.853 -8.104 1.00 15.00 O ATOM 887 CB VAL A 61 4.233 -3.799 -5.519 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.130 -2.573 -5.577 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.528 -3.890 -4.178 1.00 15.00 C ATOM 0 H VAL A 61 2.499 -5.737 -6.819 1.00 15.00 H new ATOM 0 HA VAL A 61 2.703 -2.810 -6.650 1.00 15.00 H new ATOM 0 HB VAL A 61 4.859 -4.684 -5.633 1.00 15.00 H new ATOM 0 HG11 VAL A 61 5.847 -2.607 -4.756 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.666 -2.559 -6.526 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.522 -1.673 -5.490 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.268 -3.906 -3.378 1.00 15.00 H new ATOM 0 HG22 VAL A 61 2.875 -3.027 -4.051 1.00 15.00 H new ATOM 0 HG23 VAL A 61 2.934 -4.803 -4.141 1.00 15.00 H new ATOM 899 N ASN A 62 3.580 -3.176 -8.984 1.00 15.00 N ATOM 900 CA ASN A 62 4.183 -3.303 -10.302 1.00 15.00 C ATOM 901 C ASN A 62 3.818 -4.659 -10.906 1.00 15.00 C ATOM 902 O ASN A 62 4.428 -5.106 -11.878 1.00 15.00 O ATOM 903 CB ASN A 62 5.704 -3.144 -10.222 1.00 15.00 C ATOM 904 CG ASN A 62 6.138 -1.693 -10.312 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.040 -1.349 -11.077 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.497 -0.833 -9.529 1.00 15.00 N ATOM 0 H ASN A 62 2.877 -2.441 -8.906 1.00 15.00 H new ATOM 0 HA ASN A 62 3.796 -2.511 -10.943 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.063 -3.570 -9.285 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.169 -3.710 -11.029 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.746 0.156 -9.546 1.00 15.00 H new ATOM 0 HD22 ASN A 62 4.756 -1.161 -8.910 1.00 15.00 H new ATOM 913 N GLY A 63 2.807 -5.306 -10.317 1.00 15.00 N ATOM 914 CA GLY A 63 2.358 -6.600 -10.794 1.00 15.00 C ATOM 915 C GLY A 63 2.749 -7.747 -9.879 1.00 15.00 C ATOM 916 O GLY A 63 2.502 -8.909 -10.201 1.00 15.00 O ATOM 0 H GLY A 63 2.291 -4.949 -9.513 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.273 -6.584 -10.901 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.774 -6.778 -11.786 1.00 15.00 H new ATOM 920 N VAL A 64 3.349 -7.431 -8.734 1.00 15.00 N ATOM 921 CA VAL A 64 3.752 -8.462 -7.785 1.00 15.00 C ATOM 922 C VAL A 64 2.667 -8.687 -6.731 1.00 15.00 C ATOM 923 O VAL A 64 2.449 -7.849 -5.856 1.00 15.00 O ATOM 924 CB VAL A 64 5.097 -8.118 -7.101 1.00 15.00 C ATOM 925 CG1 VAL A 64 4.920 -7.068 -6.015 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.742 -9.374 -6.535 1.00 15.00 C ATOM 0 H VAL A 64 3.565 -6.477 -8.444 1.00 15.00 H new ATOM 0 HA VAL A 64 3.890 -9.383 -8.351 1.00 15.00 H new ATOM 0 HB VAL A 64 5.758 -7.697 -7.859 1.00 15.00 H new ATOM 0 HG11 VAL A 64 5.885 -6.852 -5.557 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.514 -6.156 -6.453 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.234 -7.442 -5.255 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.687 -9.114 -6.058 1.00 15.00 H new ATOM 0 HG22 VAL A 64 5.076 -9.825 -5.800 1.00 15.00 H new ATOM 0 HG23 VAL A 64 5.926 -10.084 -7.342 1.00 15.00 H new ATOM 936 N SER A 65 1.982 -9.821 -6.827 1.00 15.00 N ATOM 937 CA SER A 65 0.914 -10.150 -5.888 1.00 15.00 C ATOM 938 C SER A 65 1.423 -10.131 -4.449 1.00 15.00 C ATOM 939 O SER A 65 2.480 -10.684 -4.145 1.00 15.00 O ATOM 940 CB SER A 65 0.325 -11.523 -6.215 1.00 15.00 C ATOM 941 OG SER A 65 -0.249 -11.537 -7.511 1.00 15.00 O ATOM 0 H SER A 65 2.146 -10.528 -7.544 1.00 15.00 H new ATOM 0 HA SER A 65 0.135 -9.394 -5.986 1.00 15.00 H new ATOM 0 HB2 SER A 65 1.105 -12.281 -6.151 1.00 15.00 H new ATOM 0 HB3 SER A 65 -0.433 -11.783 -5.476 1.00 15.00 H new ATOM 0 HG SER A 65 -0.617 -12.426 -7.696 1.00 15.00 H new ATOM 947 N LEU A 66 0.660 -9.490 -3.569 1.00 15.00 N ATOM 948 CA LEU A 66 1.026 -9.396 -2.161 1.00 15.00 C ATOM 949 C LEU A 66 0.358 -10.502 -1.350 1.00 15.00 C ATOM 950 O LEU A 66 0.865 -10.910 -0.305 1.00 15.00 O ATOM 951 CB LEU A 66 0.634 -8.026 -1.601 1.00 15.00 C ATOM 952 CG LEU A 66 1.756 -7.278 -0.879 1.00 15.00 C ATOM 953 CD1 LEU A 66 2.293 -8.108 0.277 1.00 15.00 C ATOM 954 CD2 LEU A 66 2.872 -6.929 -1.851 1.00 15.00 C ATOM 0 H LEU A 66 -0.217 -9.027 -3.807 1.00 15.00 H new ATOM 0 HA LEU A 66 2.106 -9.516 -2.083 1.00 15.00 H new ATOM 0 HB2 LEU A 66 0.273 -7.405 -2.421 1.00 15.00 H new ATOM 0 HB3 LEU A 66 -0.198 -8.157 -0.910 1.00 15.00 H new ATOM 0 HG LEU A 66 1.349 -6.351 -0.475 1.00 15.00 H new ATOM 0 HD11 LEU A 66 3.090 -7.560 0.779 1.00 15.00 H new ATOM 0 HD12 LEU A 66 1.489 -8.309 0.985 1.00 15.00 H new ATOM 0 HD13 LEU A 66 2.685 -9.051 -0.104 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.663 -6.397 -1.322 1.00 15.00 H new ATOM 0 HD22 LEU A 66 3.277 -7.844 -2.284 1.00 15.00 H new ATOM 0 HD23 LEU A 66 2.478 -6.296 -2.646 1.00 15.00 H new ATOM 966 N GLU A 67 -0.782 -10.986 -1.839 1.00 15.00 N ATOM 967 CA GLU A 67 -1.522 -12.047 -1.161 1.00 15.00 C ATOM 968 C GLU A 67 -0.588 -13.173 -0.722 1.00 15.00 C ATOM 969 O GLU A 67 -0.146 -13.981 -1.539 1.00 15.00 O ATOM 970 CB GLU A 67 -2.611 -12.603 -2.079 1.00 15.00 C ATOM 971 CG GLU A 67 -3.843 -13.092 -1.336 1.00 15.00 C ATOM 972 CD GLU A 67 -4.882 -13.692 -2.262 1.00 15.00 C ATOM 973 OE1 GLU A 67 -5.153 -13.089 -3.321 1.00 15.00 O ATOM 974 OE2 GLU A 67 -5.425 -14.767 -1.927 1.00 15.00 O ATOM 0 H GLU A 67 -1.213 -10.659 -2.704 1.00 15.00 H new ATOM 0 HA GLU A 67 -1.986 -11.619 -0.272 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -2.908 -11.829 -2.787 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.198 -13.426 -2.661 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -3.546 -13.837 -0.598 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -4.287 -12.260 -0.789 1.00 15.00 H new ATOM 981 N GLY A 68 -0.291 -13.216 0.573 1.00 15.00 N ATOM 982 CA GLY A 68 0.590 -14.241 1.099 1.00 15.00 C ATOM 983 C GLY A 68 1.941 -13.689 1.509 1.00 15.00 C ATOM 984 O GLY A 68 2.974 -14.099 0.980 1.00 15.00 O ATOM 0 H GLY A 68 -0.645 -12.558 1.268 1.00 15.00 H new ATOM 0 HA2 GLY A 68 0.118 -14.715 1.960 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.731 -15.016 0.346 1.00 15.00 H new ATOM 988 N ALA A 69 1.932 -12.753 2.454 1.00 15.00 N ATOM 989 CA ALA A 69 3.163 -12.141 2.936 1.00 15.00 C ATOM 990 C ALA A 69 2.894 -11.230 4.130 1.00 15.00 C ATOM 991 O ALA A 69 1.748 -10.897 4.426 1.00 15.00 O ATOM 992 CB ALA A 69 3.837 -11.364 1.814 1.00 15.00 C ATOM 0 H ALA A 69 1.084 -12.403 2.900 1.00 15.00 H new ATOM 0 HA ALA A 69 3.832 -12.936 3.266 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.756 -10.911 2.186 1.00 15.00 H new ATOM 0 HB2 ALA A 69 4.073 -12.041 0.993 1.00 15.00 H new ATOM 0 HB3 ALA A 69 3.166 -10.583 1.458 1.00 15.00 H new ATOM 998 N THR A 70 3.960 -10.834 4.815 1.00 15.00 N ATOM 999 CA THR A 70 3.847 -9.963 5.980 1.00 15.00 C ATOM 1000 C THR A 70 4.000 -8.496 5.585 1.00 15.00 C ATOM 1001 O THR A 70 4.053 -8.160 4.402 1.00 15.00 O ATOM 1002 CB THR A 70 4.910 -10.330 7.017 1.00 15.00 C ATOM 1003 OG1 THR A 70 6.174 -9.812 6.644 1.00 15.00 O ATOM 1004 CG2 THR A 70 5.066 -11.823 7.214 1.00 15.00 C ATOM 0 H THR A 70 4.916 -11.103 4.583 1.00 15.00 H new ATOM 0 HA THR A 70 2.856 -10.104 6.411 1.00 15.00 H new ATOM 0 HB THR A 70 4.563 -9.891 7.953 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.840 -10.056 7.320 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.836 -12.013 7.962 1.00 15.00 H new ATOM 0 HG22 THR A 70 4.120 -12.246 7.551 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.355 -12.286 6.271 1.00 15.00 H new ATOM 1012 N HIS A 71 4.072 -7.631 6.591 1.00 15.00 N ATOM 1013 CA HIS A 71 4.222 -6.197 6.370 1.00 15.00 C ATOM 1014 C HIS A 71 5.552 -5.896 5.688 1.00 15.00 C ATOM 1015 O HIS A 71 5.588 -5.332 4.595 1.00 15.00 O ATOM 1016 CB HIS A 71 4.099 -5.458 7.714 1.00 15.00 C ATOM 1017 CG HIS A 71 5.113 -4.377 7.945 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.865 -4.292 9.097 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.490 -3.331 7.175 1.00 15.00 C ATOM 1020 CE1 HIS A 71 6.659 -3.239 9.026 1.00 15.00 C ATOM 1021 NE2 HIS A 71 6.452 -2.640 7.869 1.00 15.00 N ATOM 0 H HIS A 71 4.029 -7.900 7.574 1.00 15.00 H new ATOM 0 HA HIS A 71 3.431 -5.847 5.707 1.00 15.00 H new ATOM 0 HB2 HIS A 71 3.103 -5.020 7.779 1.00 15.00 H new ATOM 0 HB3 HIS A 71 4.180 -6.187 8.520 1.00 15.00 H new ATOM 0 HD1 HIS A 71 5.816 -4.941 9.882 1.00 15.00 H new ATOM 0 HD2 HIS A 71 5.106 -3.085 6.196 1.00 15.00 H new ATOM 0 HE1 HIS A 71 7.358 -2.922 9.786 1.00 15.00 H new ATOM 1030 N LYS A 72 6.640 -6.288 6.337 1.00 15.00 N ATOM 1031 CA LYS A 72 7.976 -6.074 5.791 1.00 15.00 C ATOM 1032 C LYS A 72 8.068 -6.621 4.373 1.00 15.00 C ATOM 1033 O LYS A 72 8.759 -6.059 3.526 1.00 15.00 O ATOM 1034 CB LYS A 72 9.023 -6.742 6.682 1.00 15.00 C ATOM 1035 CG LYS A 72 10.450 -6.327 6.363 1.00 15.00 C ATOM 1036 CD LYS A 72 11.460 -7.186 7.107 1.00 15.00 C ATOM 1037 CE LYS A 72 11.864 -8.403 6.292 1.00 15.00 C ATOM 1038 NZ LYS A 72 12.707 -8.033 5.122 1.00 15.00 N ATOM 0 H LYS A 72 6.625 -6.756 7.243 1.00 15.00 H new ATOM 0 HA LYS A 72 8.170 -5.002 5.762 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.808 -6.502 7.723 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.937 -7.824 6.580 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.622 -6.408 5.290 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.594 -5.280 6.631 1.00 15.00 H new ATOM 0 HD2 LYS A 72 12.344 -6.592 7.338 1.00 15.00 H new ATOM 0 HD3 LYS A 72 11.035 -7.508 8.058 1.00 15.00 H new ATOM 0 HE2 LYS A 72 12.411 -9.100 6.927 1.00 15.00 H new ATOM 0 HE3 LYS A 72 10.970 -8.921 5.946 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 13.424 -8.770 4.964 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 12.108 -7.946 4.276 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 13.179 -7.125 5.307 1.00 15.00 H new ATOM 1052 N GLN A 73 7.354 -7.712 4.114 1.00 15.00 N ATOM 1053 CA GLN A 73 7.352 -8.314 2.788 1.00 15.00 C ATOM 1054 C GLN A 73 6.849 -7.304 1.770 1.00 15.00 C ATOM 1055 O GLN A 73 7.484 -7.071 0.742 1.00 15.00 O ATOM 1056 CB GLN A 73 6.480 -9.568 2.767 1.00 15.00 C ATOM 1057 CG GLN A 73 7.062 -10.718 3.568 1.00 15.00 C ATOM 1058 CD GLN A 73 6.624 -12.074 3.048 1.00 15.00 C ATOM 1059 OE1 GLN A 73 6.008 -12.859 3.769 1.00 15.00 O ATOM 1060 NE2 GLN A 73 6.942 -12.356 1.789 1.00 15.00 N ATOM 0 H GLN A 73 6.773 -8.194 4.801 1.00 15.00 H new ATOM 0 HA GLN A 73 8.371 -8.605 2.531 1.00 15.00 H new ATOM 0 HB2 GLN A 73 5.494 -9.323 3.161 1.00 15.00 H new ATOM 0 HB3 GLN A 73 6.340 -9.888 1.734 1.00 15.00 H new ATOM 0 HG2 GLN A 73 8.150 -10.658 3.544 1.00 15.00 H new ATOM 0 HG3 GLN A 73 6.760 -10.618 4.611 1.00 15.00 H new ATOM 0 HE21 GLN A 73 7.454 -11.675 1.227 1.00 15.00 H new ATOM 0 HE22 GLN A 73 6.675 -13.253 1.384 1.00 15.00 H new ATOM 1069 N ALA A 74 5.717 -6.681 2.080 1.00 15.00 N ATOM 1070 CA ALA A 74 5.153 -5.669 1.203 1.00 15.00 C ATOM 1071 C ALA A 74 6.067 -4.455 1.175 1.00 15.00 C ATOM 1072 O ALA A 74 6.371 -3.918 0.112 1.00 15.00 O ATOM 1073 CB ALA A 74 3.762 -5.273 1.654 1.00 15.00 C ATOM 0 H ALA A 74 5.177 -6.859 2.927 1.00 15.00 H new ATOM 0 HA ALA A 74 5.072 -6.083 0.198 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.363 -4.514 0.980 1.00 15.00 H new ATOM 0 HB2 ALA A 74 3.112 -6.148 1.640 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.808 -4.871 2.666 1.00 15.00 H new ATOM 1079 N VAL A 75 6.529 -4.047 2.358 1.00 15.00 N ATOM 1080 CA VAL A 75 7.446 -2.919 2.476 1.00 15.00 C ATOM 1081 C VAL A 75 8.510 -3.039 1.400 1.00 15.00 C ATOM 1082 O VAL A 75 8.884 -2.061 0.754 1.00 15.00 O ATOM 1083 CB VAL A 75 8.099 -2.893 3.881 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.602 -3.139 3.819 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.803 -1.588 4.592 1.00 15.00 C ATOM 0 H VAL A 75 6.281 -4.483 3.246 1.00 15.00 H new ATOM 0 HA VAL A 75 6.896 -1.987 2.346 1.00 15.00 H new ATOM 0 HB VAL A 75 7.658 -3.709 4.453 1.00 15.00 H new ATOM 0 HG11 VAL A 75 10.017 -3.112 4.827 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.793 -4.116 3.374 1.00 15.00 H new ATOM 0 HG13 VAL A 75 10.073 -2.366 3.212 1.00 15.00 H new ATOM 0 HG21 VAL A 75 8.272 -1.595 5.576 1.00 15.00 H new ATOM 0 HG22 VAL A 75 8.198 -0.757 4.007 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.725 -1.472 4.705 1.00 15.00 H new ATOM 1095 N GLU A 76 8.962 -4.268 1.202 1.00 15.00 N ATOM 1096 CA GLU A 76 9.955 -4.559 0.189 1.00 15.00 C ATOM 1097 C GLU A 76 9.366 -4.345 -1.203 1.00 15.00 C ATOM 1098 O GLU A 76 10.007 -3.755 -2.065 1.00 15.00 O ATOM 1099 CB GLU A 76 10.460 -5.996 0.335 1.00 15.00 C ATOM 1100 CG GLU A 76 10.985 -6.318 1.725 1.00 15.00 C ATOM 1101 CD GLU A 76 10.674 -7.740 2.150 1.00 15.00 C ATOM 1102 OE1 GLU A 76 10.653 -8.630 1.273 1.00 15.00 O ATOM 1103 OE2 GLU A 76 10.452 -7.964 3.358 1.00 15.00 O ATOM 0 H GLU A 76 8.653 -5.081 1.734 1.00 15.00 H new ATOM 0 HA GLU A 76 10.797 -3.880 0.322 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.649 -6.683 0.094 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.253 -6.170 -0.393 1.00 15.00 H new ATOM 0 HG2 GLU A 76 12.064 -6.164 1.747 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.549 -5.624 2.444 1.00 15.00 H new ATOM 1110 N THR A 77 8.137 -4.824 -1.419 1.00 15.00 N ATOM 1111 CA THR A 77 7.484 -4.667 -2.717 1.00 15.00 C ATOM 1112 C THR A 77 7.232 -3.199 -3.042 1.00 15.00 C ATOM 1113 O THR A 77 7.658 -2.706 -4.087 1.00 15.00 O ATOM 1114 CB THR A 77 6.168 -5.440 -2.772 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.317 -5.070 -1.704 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.350 -6.940 -2.720 1.00 15.00 C ATOM 0 H THR A 77 7.582 -5.317 -0.720 1.00 15.00 H new ATOM 0 HA THR A 77 8.163 -5.076 -3.465 1.00 15.00 H new ATOM 0 HB THR A 77 5.725 -5.179 -3.733 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.817 -4.526 -1.060 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.376 -7.426 -2.763 1.00 15.00 H new ATOM 0 HG22 THR A 77 6.954 -7.263 -3.568 1.00 15.00 H new ATOM 0 HG23 THR A 77 6.851 -7.214 -1.792 1.00 15.00 H new ATOM 1124 N LEU A 78 6.535 -2.499 -2.146 1.00 15.00 N ATOM 1125 CA LEU A 78 6.233 -1.084 -2.360 1.00 15.00 C ATOM 1126 C LEU A 78 7.515 -0.319 -2.648 1.00 15.00 C ATOM 1127 O LEU A 78 7.590 0.464 -3.596 1.00 15.00 O ATOM 1128 CB LEU A 78 5.540 -0.477 -1.135 1.00 15.00 C ATOM 1129 CG LEU A 78 4.559 -1.395 -0.401 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.797 -0.616 0.660 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.595 -2.046 -1.383 1.00 15.00 C ATOM 0 H LEU A 78 6.172 -2.884 -1.274 1.00 15.00 H new ATOM 0 HA LEU A 78 5.559 -1.007 -3.213 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.306 -0.157 -0.429 1.00 15.00 H new ATOM 0 HB3 LEU A 78 5.004 0.418 -1.451 1.00 15.00 H new ATOM 0 HG LEU A 78 5.128 -2.184 0.091 1.00 15.00 H new ATOM 0 HD11 LEU A 78 3.104 -1.283 1.173 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.500 -0.199 1.381 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.240 0.193 0.188 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.906 -2.694 -0.841 1.00 15.00 H new ATOM 0 HD22 LEU A 78 3.031 -1.273 -1.905 1.00 15.00 H new ATOM 0 HD23 LEU A 78 4.157 -2.637 -2.106 1.00 15.00 H new ATOM 1143 N ARG A 79 8.524 -0.567 -1.827 1.00 15.00 N ATOM 1144 CA ARG A 79 9.816 0.076 -1.985 1.00 15.00 C ATOM 1145 C ARG A 79 10.511 -0.422 -3.251 1.00 15.00 C ATOM 1146 O ARG A 79 10.826 0.360 -4.148 1.00 15.00 O ATOM 1147 CB ARG A 79 10.683 -0.201 -0.755 1.00 15.00 C ATOM 1148 CG ARG A 79 11.670 0.913 -0.440 1.00 15.00 C ATOM 1149 CD ARG A 79 13.099 0.498 -0.752 1.00 15.00 C ATOM 1150 NE ARG A 79 13.933 1.640 -1.120 1.00 15.00 N ATOM 1151 CZ ARG A 79 14.318 2.581 -0.262 1.00 15.00 C ATOM 1152 NH1 ARG A 79 13.946 2.521 1.011 1.00 15.00 N ATOM 1153 NH2 ARG A 79 15.078 3.586 -0.677 1.00 15.00 N ATOM 0 H ARG A 79 8.470 -1.214 -1.040 1.00 15.00 H new ATOM 0 HA ARG A 79 9.667 1.152 -2.080 1.00 15.00 H new ATOM 0 HB2 ARG A 79 10.035 -0.355 0.108 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.233 -1.129 -0.911 1.00 15.00 H new ATOM 0 HG2 ARG A 79 11.414 1.801 -1.018 1.00 15.00 H new ATOM 0 HG3 ARG A 79 11.591 1.184 0.613 1.00 15.00 H new ATOM 0 HD2 ARG A 79 13.530 -0.000 0.117 1.00 15.00 H new ATOM 0 HD3 ARG A 79 13.096 -0.226 -1.566 1.00 15.00 H new ATOM 0 HE ARG A 79 14.237 1.720 -2.090 1.00 15.00 H new ATOM 0 HH11 ARG A 79 13.362 1.750 1.336 1.00 15.00 H new ATOM 0 HH12 ARG A 79 14.244 3.245 1.664 1.00 15.00 H new ATOM 0 HH21 ARG A 79 15.367 3.637 -1.654 1.00 15.00 H new ATOM 0 HH22 ARG A 79 15.373 4.308 -0.019 1.00 15.00 H new ATOM 1167 N ASN A 80 10.745 -1.731 -3.310 1.00 15.00 N ATOM 1168 CA ASN A 80 11.401 -2.360 -4.457 1.00 15.00 C ATOM 1169 C ASN A 80 10.550 -2.276 -5.726 1.00 15.00 C ATOM 1170 O ASN A 80 10.194 -3.301 -6.308 1.00 15.00 O ATOM 1171 CB ASN A 80 11.710 -3.827 -4.149 1.00 15.00 C ATOM 1172 CG ASN A 80 12.571 -3.990 -2.911 1.00 15.00 C ATOM 1173 OD1 ASN A 80 13.368 -3.114 -2.576 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.413 -5.115 -2.225 1.00 15.00 N ATOM 0 H ASN A 80 10.488 -2.383 -2.569 1.00 15.00 H new ATOM 0 HA ASN A 80 12.327 -1.813 -4.637 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.775 -4.371 -4.012 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.218 -4.275 -5.003 1.00 15.00 H new ATOM 0 HD21 ASN A 80 12.964 -5.281 -1.383 1.00 15.00 H new ATOM 0 HD22 ASN A 80 11.740 -5.814 -2.540 1.00 15.00 H new ATOM 1181 N THR A 81 10.240 -1.063 -6.167 1.00 15.00 N ATOM 1182 CA THR A 81 9.449 -0.883 -7.380 1.00 15.00 C ATOM 1183 C THR A 81 10.368 -0.652 -8.577 1.00 15.00 C ATOM 1184 O THR A 81 10.546 -1.539 -9.413 1.00 15.00 O ATOM 1185 CB THR A 81 8.464 0.278 -7.224 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.695 0.981 -6.015 1.00 15.00 O ATOM 1187 CG2 THR A 81 7.016 -0.167 -7.224 1.00 15.00 C ATOM 0 H THR A 81 10.521 -0.196 -5.709 1.00 15.00 H new ATOM 0 HA THR A 81 8.871 -1.791 -7.552 1.00 15.00 H new ATOM 0 HB THR A 81 8.636 0.919 -8.089 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.163 0.580 -5.296 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.368 0.702 -7.110 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.789 -0.668 -8.165 1.00 15.00 H new ATOM 0 HG23 THR A 81 6.847 -0.856 -6.397 1.00 15.00 H new ATOM 1195 N GLY A 82 10.967 0.534 -8.644 1.00 15.00 N ATOM 1196 CA GLY A 82 11.875 0.844 -9.730 1.00 15.00 C ATOM 1197 C GLY A 82 11.463 2.063 -10.531 1.00 15.00 C ATOM 1198 O GLY A 82 11.657 3.198 -10.098 1.00 15.00 O ATOM 0 H GLY A 82 10.839 1.284 -7.965 1.00 15.00 H new ATOM 0 HA2 GLY A 82 12.873 1.006 -9.324 1.00 15.00 H new ATOM 0 HA3 GLY A 82 11.938 -0.016 -10.397 1.00 15.00 H new ATOM 1202 N GLN A 83 10.914 1.819 -11.712 1.00 15.00 N ATOM 1203 CA GLN A 83 10.489 2.897 -12.606 1.00 15.00 C ATOM 1204 C GLN A 83 9.350 3.722 -12.006 1.00 15.00 C ATOM 1205 O GLN A 83 9.583 4.773 -11.410 1.00 15.00 O ATOM 1206 CB GLN A 83 10.074 2.338 -13.975 1.00 15.00 C ATOM 1207 CG GLN A 83 9.411 0.969 -13.917 1.00 15.00 C ATOM 1208 CD GLN A 83 8.210 0.865 -14.837 1.00 15.00 C ATOM 1209 OE1 GLN A 83 7.587 1.869 -15.178 1.00 15.00 O ATOM 1210 NE2 GLN A 83 7.879 -0.356 -15.242 1.00 15.00 N ATOM 0 H GLN A 83 10.750 0.881 -12.079 1.00 15.00 H new ATOM 0 HA GLN A 83 11.345 3.559 -12.738 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.389 3.041 -14.449 1.00 15.00 H new ATOM 0 HB3 GLN A 83 10.957 2.275 -14.611 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.139 0.205 -14.188 1.00 15.00 H new ATOM 0 HG3 GLN A 83 9.099 0.763 -12.893 1.00 15.00 H new ATOM 0 HE21 GLN A 83 8.425 -1.161 -14.934 1.00 15.00 H new ATOM 0 HE22 GLN A 83 7.079 -0.489 -15.861 1.00 15.00 H new ATOM 1219 N VAL A 84 8.118 3.251 -12.178 1.00 15.00 N ATOM 1220 CA VAL A 84 6.947 3.952 -11.665 1.00 15.00 C ATOM 1221 C VAL A 84 6.324 3.189 -10.498 1.00 15.00 C ATOM 1222 O VAL A 84 6.551 1.990 -10.332 1.00 15.00 O ATOM 1223 CB VAL A 84 5.896 4.153 -12.781 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.589 4.699 -12.224 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.444 5.079 -13.855 1.00 15.00 C ATOM 0 H VAL A 84 7.905 2.384 -12.671 1.00 15.00 H new ATOM 0 HA VAL A 84 7.274 4.929 -11.309 1.00 15.00 H new ATOM 0 HB VAL A 84 5.685 3.180 -13.224 1.00 15.00 H new ATOM 0 HG11 VAL A 84 3.873 4.828 -13.036 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.185 4.000 -11.492 1.00 15.00 H new ATOM 0 HG13 VAL A 84 4.771 5.661 -11.745 1.00 15.00 H new ATOM 0 HG21 VAL A 84 5.696 5.214 -14.636 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.685 6.046 -13.413 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.345 4.642 -14.287 1.00 15.00 H new ATOM 1235 N VAL A 85 5.534 3.889 -9.695 1.00 15.00 N ATOM 1236 CA VAL A 85 4.882 3.276 -8.550 1.00 15.00 C ATOM 1237 C VAL A 85 3.445 2.893 -8.896 1.00 15.00 C ATOM 1238 O VAL A 85 2.500 3.617 -8.583 1.00 15.00 O ATOM 1239 CB VAL A 85 4.907 4.232 -7.333 1.00 15.00 C ATOM 1240 CG1 VAL A 85 3.848 3.866 -6.303 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.290 4.243 -6.699 1.00 15.00 C ATOM 0 H VAL A 85 5.330 4.881 -9.817 1.00 15.00 H new ATOM 0 HA VAL A 85 5.429 2.370 -8.288 1.00 15.00 H new ATOM 0 HB VAL A 85 4.675 5.234 -7.695 1.00 15.00 H new ATOM 0 HG11 VAL A 85 3.900 4.561 -5.465 1.00 15.00 H new ATOM 0 HG12 VAL A 85 2.860 3.922 -6.761 1.00 15.00 H new ATOM 0 HG13 VAL A 85 4.025 2.852 -5.944 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.293 4.920 -5.844 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.546 3.237 -6.366 1.00 15.00 H new ATOM 0 HG23 VAL A 85 7.023 4.580 -7.431 1.00 15.00 H new ATOM 1251 N HIS A 86 3.295 1.743 -9.548 1.00 15.00 N ATOM 1252 CA HIS A 86 1.980 1.249 -9.942 1.00 15.00 C ATOM 1253 C HIS A 86 1.509 0.169 -8.976 1.00 15.00 C ATOM 1254 O HIS A 86 1.687 -1.024 -9.224 1.00 15.00 O ATOM 1255 CB HIS A 86 2.024 0.693 -11.365 1.00 15.00 C ATOM 1256 CG HIS A 86 0.670 0.429 -11.946 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.390 1.301 -11.813 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.204 -0.618 -12.669 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.449 0.801 -12.426 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -1.114 -0.361 -12.954 1.00 15.00 N ATOM 0 H HIS A 86 4.070 1.135 -9.815 1.00 15.00 H new ATOM 0 HA HIS A 86 1.276 2.081 -9.911 1.00 15.00 H new ATOM 0 HB2 HIS A 86 2.554 1.398 -12.006 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.598 -0.234 -11.367 1.00 15.00 H new ATOM 0 HD2 HIS A 86 0.765 -1.492 -12.966 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.423 1.265 -12.485 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -1.734 -0.970 -13.488 1.00 15.00 H new ATOM 1269 N LEU A 87 0.924 0.599 -7.866 1.00 15.00 N ATOM 1270 CA LEU A 87 0.443 -0.323 -6.847 1.00 15.00 C ATOM 1271 C LEU A 87 -1.075 -0.473 -6.887 1.00 15.00 C ATOM 1272 O LEU A 87 -1.809 0.474 -6.614 1.00 15.00 O ATOM 1273 CB LEU A 87 0.873 0.165 -5.462 1.00 15.00 C ATOM 1274 CG LEU A 87 1.836 -0.760 -4.725 1.00 15.00 C ATOM 1275 CD1 LEU A 87 3.004 0.028 -4.152 1.00 15.00 C ATOM 1276 CD2 LEU A 87 1.105 -1.514 -3.625 1.00 15.00 C ATOM 0 H LEU A 87 0.771 1.584 -7.648 1.00 15.00 H new ATOM 0 HA LEU A 87 0.882 -1.300 -7.052 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.341 1.144 -5.567 1.00 15.00 H new ATOM 0 HB3 LEU A 87 -0.017 0.302 -4.848 1.00 15.00 H new ATOM 0 HG LEU A 87 2.233 -1.485 -5.436 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.679 -0.650 -3.630 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.541 0.523 -4.961 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.630 0.776 -3.453 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.804 -2.170 -3.107 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.682 -0.803 -2.916 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.304 -2.110 -4.063 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.538 -1.678 -7.201 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.968 -1.955 -7.242 1.00 15.00 C ATOM 1290 C LEU A 88 -3.420 -2.476 -5.883 1.00 15.00 C ATOM 1291 O LEU A 88 -3.209 -3.643 -5.553 1.00 15.00 O ATOM 1292 CB LEU A 88 -3.292 -2.978 -8.337 1.00 15.00 C ATOM 1293 CG LEU A 88 -2.581 -2.765 -9.681 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.480 -1.286 -10.026 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -1.200 -3.401 -9.663 1.00 15.00 C ATOM 0 H LEU A 88 -0.945 -2.476 -7.430 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.501 -1.033 -7.474 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -3.038 -3.971 -7.967 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -4.368 -2.968 -8.511 1.00 15.00 H new ATOM 0 HG LEU A 88 -3.179 -3.250 -10.453 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -1.972 -1.170 -10.983 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -3.481 -0.859 -10.092 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.915 -0.769 -9.250 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -0.712 -3.239 -10.624 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -0.602 -2.949 -8.872 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -1.295 -4.471 -9.480 1.00 15.00 H new ATOM 1307 N LEU A 89 -4.019 -1.598 -5.088 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.473 -1.963 -3.750 1.00 15.00 C ATOM 1309 C LEU A 89 -5.983 -2.151 -3.699 1.00 15.00 C ATOM 1310 O LEU A 89 -6.636 -2.357 -4.722 1.00 15.00 O ATOM 1311 CB LEU A 89 -4.067 -0.892 -2.734 1.00 15.00 C ATOM 1312 CG LEU A 89 -3.011 0.092 -3.210 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -2.970 1.305 -2.301 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.659 -0.585 -3.261 1.00 15.00 C ATOM 0 H LEU A 89 -4.202 -0.628 -5.346 1.00 15.00 H new ATOM 0 HA LEU A 89 -3.997 -2.910 -3.498 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -4.957 -0.332 -2.446 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.698 -1.388 -1.836 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.269 0.429 -4.214 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.209 2.000 -2.656 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -3.942 1.798 -2.308 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.729 0.991 -1.285 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -0.908 0.127 -3.603 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.393 -0.943 -2.266 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.700 -1.428 -3.951 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.527 -2.061 -2.490 1.00 15.00 N ATOM 1327 CA GLU A 90 -7.958 -2.202 -2.273 1.00 15.00 C ATOM 1328 C GLU A 90 -8.436 -1.202 -1.224 1.00 15.00 C ATOM 1329 O GLU A 90 -7.728 -0.913 -0.259 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.293 -3.638 -1.847 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.470 -3.748 -0.889 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.866 -5.185 -0.615 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -8.960 -6.029 -0.450 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -11.082 -5.467 -0.565 1.00 15.00 O ATOM 0 H GLU A 90 -5.991 -1.889 -1.640 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.477 -1.992 -3.208 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.508 -4.228 -2.738 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.414 -4.080 -1.377 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -9.215 -3.260 0.052 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.324 -3.213 -1.305 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.640 -0.676 -1.420 1.00 15.00 N ATOM 1342 CA LYS A 91 -10.212 0.293 -0.491 1.00 15.00 C ATOM 1343 C LYS A 91 -10.244 -0.265 0.928 1.00 15.00 C ATOM 1344 O LYS A 91 -11.062 -1.127 1.250 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.622 0.681 -0.935 1.00 15.00 C ATOM 1346 CG LYS A 91 -12.077 2.029 -0.399 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.382 3.177 -1.113 1.00 15.00 C ATOM 1348 CE LYS A 91 -11.648 3.148 -2.610 1.00 15.00 C ATOM 1349 NZ LYS A 91 -11.334 4.453 -3.256 1.00 15.00 N ATOM 0 H LYS A 91 -10.239 -0.904 -2.213 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.581 1.181 -0.495 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.659 0.701 -2.024 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.322 -0.087 -0.606 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -13.156 2.124 -0.520 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -11.870 2.085 0.670 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -11.727 4.125 -0.700 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -10.308 3.122 -0.932 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -11.049 2.362 -3.070 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -12.694 2.897 -2.788 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -12.124 4.735 -3.871 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -11.190 5.177 -2.524 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -10.469 4.359 -3.825 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.345 0.231 1.772 1.00 15.00 N ATOM 1364 CA GLY A 92 -9.282 -0.228 3.147 1.00 15.00 C ATOM 1365 C GLY A 92 -10.515 0.148 3.944 1.00 15.00 C ATOM 1366 O GLY A 92 -11.150 1.168 3.676 1.00 15.00 O ATOM 0 H GLY A 92 -8.658 0.944 1.527 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -9.162 -1.311 3.159 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.400 0.196 3.628 1.00 15.00 H new ATOM 1370 N GLN A 93 -10.852 -0.679 4.929 1.00 15.00 N ATOM 1371 CA GLN A 93 -12.017 -0.430 5.771 1.00 15.00 C ATOM 1372 C GLN A 93 -11.659 0.487 6.936 1.00 15.00 C ATOM 1373 O GLN A 93 -10.747 0.197 7.710 1.00 15.00 O ATOM 1374 CB GLN A 93 -12.579 -1.751 6.301 1.00 15.00 C ATOM 1375 CG GLN A 93 -13.617 -2.380 5.385 1.00 15.00 C ATOM 1376 CD GLN A 93 -13.887 -3.833 5.724 1.00 15.00 C ATOM 1377 OE1 GLN A 93 -13.128 -4.463 6.460 1.00 15.00 O ATOM 1378 NE2 GLN A 93 -14.975 -4.373 5.186 1.00 15.00 N ATOM 0 H GLN A 93 -10.335 -1.527 5.164 1.00 15.00 H new ATOM 0 HA GLN A 93 -12.776 0.063 5.164 1.00 15.00 H new ATOM 0 HB2 GLN A 93 -11.759 -2.454 6.444 1.00 15.00 H new ATOM 0 HB3 GLN A 93 -13.026 -1.580 7.280 1.00 15.00 H new ATOM 0 HG2 GLN A 93 -14.547 -1.816 5.454 1.00 15.00 H new ATOM 0 HG3 GLN A 93 -13.276 -2.309 4.352 1.00 15.00 H new ATOM 0 HE21 GLN A 93 -15.576 -3.813 4.581 1.00 15.00 H new ATOM 0 HE22 GLN A 93 -15.209 -5.347 5.378 1.00 15.00 H new ATOM 1387 N SER A 94 -12.383 1.595 7.053 1.00 15.00 N ATOM 1388 CA SER A 94 -12.142 2.556 8.123 1.00 15.00 C ATOM 1389 C SER A 94 -12.839 2.124 9.411 1.00 15.00 C ATOM 1390 O SER A 94 -13.730 1.275 9.390 1.00 15.00 O ATOM 1391 CB SER A 94 -12.628 3.946 7.708 1.00 15.00 C ATOM 1392 OG SER A 94 -11.592 4.683 7.083 1.00 15.00 O ATOM 0 H SER A 94 -13.141 1.850 6.420 1.00 15.00 H new ATOM 0 HA SER A 94 -11.068 2.594 8.308 1.00 15.00 H new ATOM 0 HB2 SER A 94 -13.473 3.851 7.026 1.00 15.00 H new ATOM 0 HB3 SER A 94 -12.985 4.486 8.585 1.00 15.00 H new ATOM 0 HG SER A 94 -11.929 5.567 6.826 1.00 15.00 H new ATOM 1398 N PRO A 95 -12.440 2.707 10.554 1.00 15.00 N ATOM 1399 CA PRO A 95 -13.030 2.379 11.856 1.00 15.00 C ATOM 1400 C PRO A 95 -14.553 2.460 11.839 1.00 15.00 C ATOM 1401 O PRO A 95 -15.240 1.484 12.141 1.00 15.00 O ATOM 1402 CB PRO A 95 -12.449 3.444 12.788 1.00 15.00 C ATOM 1403 CG PRO A 95 -11.164 3.844 12.151 1.00 15.00 C ATOM 1404 CD PRO A 95 -11.384 3.730 10.667 1.00 15.00 C ATOM 0 HA PRO A 95 -12.803 1.357 12.160 1.00 15.00 H new ATOM 0 HB2 PRO A 95 -13.124 4.294 12.887 1.00 15.00 H new ATOM 0 HB3 PRO A 95 -12.287 3.047 13.790 1.00 15.00 H new ATOM 0 HG2 PRO A 95 -10.892 4.862 12.428 1.00 15.00 H new ATOM 0 HG3 PRO A 95 -10.349 3.197 12.476 1.00 15.00 H new ATOM 0 HD2 PRO A 95 -11.697 4.680 10.233 1.00 15.00 H new ATOM 0 HD3 PRO A 95 -10.474 3.427 10.148 1.00 15.00 H new ATOM 1412 N THR A 96 -15.075 3.629 11.483 1.00 15.00 N ATOM 1413 CA THR A 96 -16.517 3.837 11.426 1.00 15.00 C ATOM 1414 C THR A 96 -17.031 3.695 9.997 1.00 15.00 C ATOM 1415 O THR A 96 -18.073 3.032 9.807 1.00 15.00 O ATOM 1416 CB THR A 96 -16.876 5.219 11.974 1.00 15.00 C ATOM 1417 OG1 THR A 96 -15.961 6.196 11.511 1.00 15.00 O ATOM 1418 CG2 THR A 96 -16.884 5.278 13.486 1.00 15.00 C ATOM 1419 OXT THR A 96 -16.388 4.248 9.080 1.00 15.00 O ATOM 0 H THR A 96 -14.521 4.447 11.230 1.00 15.00 H new ATOM 0 HA THR A 96 -16.993 3.074 12.042 1.00 15.00 H new ATOM 0 HB THR A 96 -17.884 5.420 11.612 1.00 15.00 H new ATOM 0 HG1 THR A 96 -16.209 7.073 11.871 1.00 15.00 H new ATOM 0 HG21 THR A 96 -17.146 6.285 13.809 1.00 15.00 H new ATOM 0 HG22 THR A 96 -17.617 4.570 13.874 1.00 15.00 H new ATOM 0 HG23 THR A 96 -15.895 5.021 13.865 1.00 15.00 H new TER 1427 THR A 96