USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=16 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+ 155:sc= -0.298 (180deg=-1.27!) USER MOD Single : A 13 LYS NZ :NH3+ -153:sc= -0.0364 (180deg=-0.531) USER MOD Single : A 14 ASN : amide:sc= -3.01 K(o=-3,f=-5.5!) USER MOD Single : A 16 ASN : amide:sc= -1.93 K(o=-1.9,f=-2.7!) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0271 USER MOD Single : A 21 SER OG : rot 180:sc= -0.335 USER MOD Single : A 23 THR OG1 : rot 170:sc= -0.297 USER MOD Single : A 27 ASN : amide:sc= -2.71 K(o=-2.7,f=-6.8!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-3.2!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.938 K(o=-0.94,f=-2.4!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -4.17! C(o=-4.2!,f=-2.6!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00782 USER MOD Single : A 71 HIS : no HE2:sc= -6.08! C(o=-6.1!,f=-6.1!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -2.43 K(o=-2.4,f=-4.5!) USER MOD Single : A 77 THR OG1 : rot 24:sc= -2.3! USER MOD Single : A 80 ASN : amide:sc= -1.38 K(o=-1.4,f=-2.9) USER MOD Single : A 81 THR OG1 : rot -95:sc= 0.233 USER MOD Single : A 83 GLN : amide:sc= -0.268 K(o=-0.27,f=-1.8!) USER MOD Single : A 86 HIS : no HD1:sc= -0.766 X(o=-0.77,f=-0.45) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -21.453 -0.033 3.941 1.00 15.00 N ATOM 2 CA PRO A 1 -20.826 -0.929 4.951 1.00 15.00 C ATOM 3 C PRO A 1 -19.366 -1.229 4.615 1.00 15.00 C ATOM 4 O PRO A 1 -18.478 -1.054 5.450 1.00 15.00 O ATOM 5 CB PRO A 1 -21.639 -2.219 4.990 1.00 15.00 C ATOM 6 CG PRO A 1 -22.601 -2.084 3.858 1.00 15.00 C ATOM 7 CD PRO A 1 -22.772 -0.603 3.621 1.00 15.00 C ATOM 0 H2 PRO A 1 -20.874 0.029 3.104 1.00 15.00 H new ATOM 0 H3 PRO A 1 -21.548 0.914 4.308 1.00 15.00 H new ATOM 0 HA PRO A 1 -20.828 -0.438 5.924 1.00 15.00 H new ATOM 0 HB2 PRO A 1 -21.001 -3.095 4.868 1.00 15.00 H new ATOM 0 HB3 PRO A 1 -22.158 -2.333 5.942 1.00 15.00 H new ATOM 0 HG2 PRO A 1 -22.222 -2.579 2.964 1.00 15.00 H new ATOM 0 HG3 PRO A 1 -23.555 -2.552 4.101 1.00 15.00 H new ATOM 0 HD2 PRO A 1 -23.057 -0.395 2.590 1.00 15.00 H new ATOM 0 HD3 PRO A 1 -23.552 -0.185 4.257 1.00 15.00 H new ATOM 17 N LYS A 2 -19.127 -1.680 3.388 1.00 15.00 N ATOM 18 CA LYS A 2 -17.776 -2.002 2.943 1.00 15.00 C ATOM 19 C LYS A 2 -17.596 -1.664 1.464 1.00 15.00 C ATOM 20 O LYS A 2 -18.479 -1.931 0.648 1.00 15.00 O ATOM 21 CB LYS A 2 -17.478 -3.484 3.178 1.00 15.00 C ATOM 22 CG LYS A 2 -18.426 -4.419 2.445 1.00 15.00 C ATOM 23 CD LYS A 2 -19.731 -4.597 3.205 1.00 15.00 C ATOM 24 CE LYS A 2 -20.516 -5.794 2.692 1.00 15.00 C ATOM 25 NZ LYS A 2 -19.647 -6.988 2.501 1.00 15.00 N ATOM 0 H LYS A 2 -19.850 -1.831 2.685 1.00 15.00 H new ATOM 0 HA LYS A 2 -17.076 -1.401 3.524 1.00 15.00 H new ATOM 0 HB2 LYS A 2 -16.456 -3.695 2.862 1.00 15.00 H new ATOM 0 HB3 LYS A 2 -17.530 -3.692 4.247 1.00 15.00 H new ATOM 0 HG2 LYS A 2 -18.634 -4.023 1.451 1.00 15.00 H new ATOM 0 HG3 LYS A 2 -17.948 -5.389 2.308 1.00 15.00 H new ATOM 0 HD2 LYS A 2 -19.520 -4.727 4.267 1.00 15.00 H new ATOM 0 HD3 LYS A 2 -20.336 -3.695 3.108 1.00 15.00 H new ATOM 0 HE2 LYS A 2 -21.313 -6.034 3.396 1.00 15.00 H new ATOM 0 HE3 LYS A 2 -20.993 -5.537 1.746 1.00 15.00 H new ATOM 0 HZ1 LYS A 2 -20.223 -7.851 2.569 1.00 15.00 H new ATOM 0 HZ2 LYS A 2 -19.198 -6.944 1.564 1.00 15.00 H new ATOM 0 HZ3 LYS A 2 -18.912 -7.004 3.236 1.00 15.00 H new ATOM 39 N PRO A 3 -16.448 -1.067 1.096 1.00 15.00 N ATOM 40 CA PRO A 3 -16.165 -0.693 -0.294 1.00 15.00 C ATOM 41 C PRO A 3 -16.131 -1.902 -1.227 1.00 15.00 C ATOM 42 O PRO A 3 -17.089 -2.157 -1.958 1.00 15.00 O ATOM 43 CB PRO A 3 -14.786 -0.024 -0.222 1.00 15.00 C ATOM 44 CG PRO A 3 -14.191 -0.484 1.065 1.00 15.00 C ATOM 45 CD PRO A 3 -15.343 -0.709 2.001 1.00 15.00 C ATOM 0 HA PRO A 3 -16.940 -0.044 -0.702 1.00 15.00 H new ATOM 0 HB2 PRO A 3 -14.164 -0.314 -1.069 1.00 15.00 H new ATOM 0 HB3 PRO A 3 -14.874 1.062 -0.248 1.00 15.00 H new ATOM 0 HG2 PRO A 3 -13.619 -1.401 0.924 1.00 15.00 H new ATOM 0 HG3 PRO A 3 -13.504 0.262 1.465 1.00 15.00 H new ATOM 0 HD2 PRO A 3 -15.132 -1.506 2.714 1.00 15.00 H new ATOM 0 HD3 PRO A 3 -15.571 0.185 2.581 1.00 15.00 H new ATOM 53 N GLY A 4 -15.027 -2.644 -1.201 1.00 15.00 N ATOM 54 CA GLY A 4 -14.900 -3.813 -2.051 1.00 15.00 C ATOM 55 C GLY A 4 -14.192 -3.510 -3.358 1.00 15.00 C ATOM 56 O GLY A 4 -13.474 -4.355 -3.893 1.00 15.00 O ATOM 0 H GLY A 4 -14.220 -2.456 -0.607 1.00 15.00 H new ATOM 0 HA2 GLY A 4 -14.352 -4.589 -1.516 1.00 15.00 H new ATOM 0 HA3 GLY A 4 -15.892 -4.213 -2.263 1.00 15.00 H new ATOM 60 N ASP A 5 -14.395 -2.302 -3.874 1.00 15.00 N ATOM 61 CA ASP A 5 -13.773 -1.890 -5.128 1.00 15.00 C ATOM 62 C ASP A 5 -12.258 -1.851 -5.002 1.00 15.00 C ATOM 63 O ASP A 5 -11.711 -1.557 -3.939 1.00 15.00 O ATOM 64 CB ASP A 5 -14.299 -0.520 -5.560 1.00 15.00 C ATOM 65 CG ASP A 5 -14.233 0.505 -4.445 1.00 15.00 C ATOM 66 OD1 ASP A 5 -15.090 0.452 -3.539 1.00 15.00 O ATOM 67 OD2 ASP A 5 -13.323 1.360 -4.478 1.00 15.00 O ATOM 0 H ASP A 5 -14.986 -1.591 -3.443 1.00 15.00 H new ATOM 0 HA ASP A 5 -14.034 -2.626 -5.888 1.00 15.00 H new ATOM 0 HB2 ASP A 5 -13.719 -0.164 -6.411 1.00 15.00 H new ATOM 0 HB3 ASP A 5 -15.331 -0.620 -5.897 1.00 15.00 H new ATOM 72 N ILE A 6 -11.594 -2.162 -6.104 1.00 15.00 N ATOM 73 CA ILE A 6 -10.143 -2.183 -6.154 1.00 15.00 C ATOM 74 C ILE A 6 -9.601 -0.958 -6.885 1.00 15.00 C ATOM 75 O ILE A 6 -10.192 -0.495 -7.861 1.00 15.00 O ATOM 76 CB ILE A 6 -9.658 -3.464 -6.867 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.364 -4.562 -5.846 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.424 -3.189 -7.725 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.542 -4.889 -4.954 1.00 15.00 C ATOM 0 H ILE A 6 -12.045 -2.406 -6.986 1.00 15.00 H new ATOM 0 HA ILE A 6 -9.770 -2.169 -5.130 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.456 -3.802 -7.528 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -9.057 -5.465 -6.374 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.523 -4.254 -5.225 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -8.108 -4.111 -8.213 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.666 -2.442 -8.481 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.617 -2.818 -7.093 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -10.261 -5.676 -4.254 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.836 -3.998 -4.399 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -11.378 -5.228 -5.565 1.00 15.00 H new ATOM 91 N PHE A 7 -8.465 -0.451 -6.422 1.00 15.00 N ATOM 92 CA PHE A 7 -7.840 0.703 -7.053 1.00 15.00 C ATOM 93 C PHE A 7 -6.321 0.542 -7.091 1.00 15.00 C ATOM 94 O PHE A 7 -5.764 -0.318 -6.411 1.00 15.00 O ATOM 95 CB PHE A 7 -8.230 1.995 -6.326 1.00 15.00 C ATOM 96 CG PHE A 7 -7.435 2.262 -5.078 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.139 2.746 -5.158 1.00 15.00 C ATOM 98 CD2 PHE A 7 -7.986 2.033 -3.828 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.407 2.996 -4.015 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.258 2.280 -2.681 1.00 15.00 C ATOM 101 CZ PHE A 7 -5.966 2.763 -2.775 1.00 15.00 C ATOM 0 H PHE A 7 -7.960 -0.819 -5.616 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.201 0.767 -8.079 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.106 2.835 -7.009 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.288 1.948 -6.067 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.697 2.930 -6.126 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -8.996 1.657 -3.750 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.398 3.374 -4.091 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.697 2.096 -1.712 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.395 2.958 -1.879 1.00 15.00 H new ATOM 111 N GLU A 8 -5.659 1.369 -7.894 1.00 15.00 N ATOM 112 CA GLU A 8 -4.206 1.310 -8.024 1.00 15.00 C ATOM 113 C GLU A 8 -3.574 2.689 -7.858 1.00 15.00 C ATOM 114 O GLU A 8 -4.123 3.698 -8.301 1.00 15.00 O ATOM 115 CB GLU A 8 -3.825 0.739 -9.386 1.00 15.00 C ATOM 116 CG GLU A 8 -4.523 1.427 -10.540 1.00 15.00 C ATOM 117 CD GLU A 8 -4.421 0.648 -11.836 1.00 15.00 C ATOM 118 OE1 GLU A 8 -4.472 -0.599 -11.785 1.00 15.00 O ATOM 119 OE2 GLU A 8 -4.291 1.285 -12.903 1.00 15.00 O ATOM 0 H GLU A 8 -6.105 2.088 -8.464 1.00 15.00 H new ATOM 0 HA GLU A 8 -3.829 0.662 -7.233 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -2.747 0.825 -9.519 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.065 -0.324 -9.407 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.574 1.571 -10.289 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -4.091 2.418 -10.682 1.00 15.00 H new ATOM 126 N VAL A 9 -2.407 2.712 -7.229 1.00 15.00 N ATOM 127 CA VAL A 9 -1.663 3.949 -7.006 1.00 15.00 C ATOM 128 C VAL A 9 -0.529 4.064 -8.016 1.00 15.00 C ATOM 129 O VAL A 9 0.373 3.227 -8.049 1.00 15.00 O ATOM 130 CB VAL A 9 -1.105 4.040 -5.556 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.360 2.752 -4.788 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.385 4.372 -5.540 1.00 15.00 C ATOM 0 H VAL A 9 -1.949 1.879 -6.859 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.355 4.780 -7.141 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.637 4.854 -5.063 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.959 2.845 -3.779 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.433 2.565 -4.737 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.871 1.922 -5.297 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.735 4.426 -4.509 1.00 15.00 H new ATOM 0 HG22 VAL A 9 0.937 3.595 -6.070 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.549 5.332 -6.030 1.00 15.00 H new ATOM 142 N GLU A 10 -0.588 5.093 -8.847 1.00 15.00 N ATOM 143 CA GLU A 10 0.428 5.298 -9.865 1.00 15.00 C ATOM 144 C GLU A 10 1.365 6.454 -9.522 1.00 15.00 C ATOM 145 O GLU A 10 1.325 7.508 -10.157 1.00 15.00 O ATOM 146 CB GLU A 10 -0.241 5.536 -11.213 1.00 15.00 C ATOM 147 CG GLU A 10 0.734 5.825 -12.343 1.00 15.00 C ATOM 148 CD GLU A 10 0.400 7.103 -13.088 1.00 15.00 C ATOM 149 OE1 GLU A 10 -0.798 7.348 -13.340 1.00 15.00 O ATOM 150 OE2 GLU A 10 1.338 7.860 -13.419 1.00 15.00 O ATOM 0 H GLU A 10 -1.326 5.797 -8.836 1.00 15.00 H new ATOM 0 HA GLU A 10 1.040 4.397 -9.912 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -0.834 4.659 -11.473 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -0.933 6.373 -11.121 1.00 15.00 H new ATOM 0 HG2 GLU A 10 1.743 5.898 -11.938 1.00 15.00 H new ATOM 0 HG3 GLU A 10 0.731 4.989 -13.043 1.00 15.00 H new ATOM 157 N LEU A 11 2.225 6.239 -8.533 1.00 15.00 N ATOM 158 CA LEU A 11 3.192 7.254 -8.128 1.00 15.00 C ATOM 159 C LEU A 11 4.460 7.111 -8.961 1.00 15.00 C ATOM 160 O LEU A 11 4.667 6.087 -9.607 1.00 15.00 O ATOM 161 CB LEU A 11 3.528 7.119 -6.640 1.00 15.00 C ATOM 162 CG LEU A 11 3.830 8.433 -5.910 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.740 9.462 -6.167 1.00 15.00 C ATOM 164 CD2 LEU A 11 3.986 8.187 -4.416 1.00 15.00 C ATOM 0 H LEU A 11 2.273 5.372 -7.997 1.00 15.00 H new ATOM 0 HA LEU A 11 2.756 8.239 -8.294 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.693 6.629 -6.140 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.391 6.461 -6.538 1.00 15.00 H new ATOM 0 HG LEU A 11 4.768 8.829 -6.299 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.979 10.385 -5.638 1.00 15.00 H new ATOM 0 HD12 LEU A 11 2.675 9.663 -7.236 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.785 9.076 -5.811 1.00 15.00 H new ATOM 0 HD21 LEU A 11 4.200 9.130 -3.912 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.063 7.765 -4.018 1.00 15.00 H new ATOM 0 HD23 LEU A 11 4.807 7.490 -4.246 1.00 15.00 H new ATOM 176 N ALA A 12 5.305 8.134 -8.953 1.00 15.00 N ATOM 177 CA ALA A 12 6.544 8.091 -9.724 1.00 15.00 C ATOM 178 C ALA A 12 7.718 7.651 -8.860 1.00 15.00 C ATOM 179 O ALA A 12 8.368 8.469 -8.208 1.00 15.00 O ATOM 180 CB ALA A 12 6.830 9.442 -10.356 1.00 15.00 C ATOM 0 H ALA A 12 5.159 8.996 -8.428 1.00 15.00 H new ATOM 0 HA ALA A 12 6.415 7.355 -10.518 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.758 9.388 -10.926 1.00 15.00 H new ATOM 0 HB2 ALA A 12 6.010 9.713 -11.022 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.928 10.196 -9.575 1.00 15.00 H new ATOM 186 N LYS A 13 7.986 6.351 -8.866 1.00 15.00 N ATOM 187 CA LYS A 13 9.083 5.787 -8.091 1.00 15.00 C ATOM 188 C LYS A 13 10.415 6.429 -8.482 1.00 15.00 C ATOM 189 O LYS A 13 11.352 6.479 -7.686 1.00 15.00 O ATOM 190 CB LYS A 13 9.142 4.273 -8.303 1.00 15.00 C ATOM 191 CG LYS A 13 9.626 3.506 -7.086 1.00 15.00 C ATOM 192 CD LYS A 13 11.015 3.952 -6.671 1.00 15.00 C ATOM 193 CE LYS A 13 10.961 4.881 -5.469 1.00 15.00 C ATOM 194 NZ LYS A 13 12.316 5.157 -4.917 1.00 15.00 N ATOM 0 H LYS A 13 7.455 5.665 -9.402 1.00 15.00 H new ATOM 0 HA LYS A 13 8.905 5.995 -7.036 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.150 3.914 -8.577 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.802 4.058 -9.143 1.00 15.00 H new ATOM 0 HG2 LYS A 13 8.931 3.655 -6.259 1.00 15.00 H new ATOM 0 HG3 LYS A 13 9.635 2.438 -7.306 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.623 3.080 -6.432 1.00 15.00 H new ATOM 0 HD3 LYS A 13 11.500 4.460 -7.504 1.00 15.00 H new ATOM 0 HE2 LYS A 13 10.489 5.820 -5.757 1.00 15.00 H new ATOM 0 HE3 LYS A 13 10.337 4.435 -4.694 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 12.239 5.380 -3.904 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 12.919 4.319 -5.043 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 12.737 5.965 -5.418 1.00 15.00 H new ATOM 208 N ASN A 14 10.489 6.921 -9.711 1.00 15.00 N ATOM 209 CA ASN A 14 11.704 7.557 -10.211 1.00 15.00 C ATOM 210 C ASN A 14 11.764 9.021 -9.792 1.00 15.00 C ATOM 211 O ASN A 14 12.805 9.505 -9.348 1.00 15.00 O ATOM 212 CB ASN A 14 11.764 7.462 -11.736 1.00 15.00 C ATOM 213 CG ASN A 14 12.221 6.102 -12.223 1.00 15.00 C ATOM 214 OD1 ASN A 14 12.853 5.345 -11.487 1.00 15.00 O ATOM 215 ND2 ASN A 14 11.900 5.787 -13.472 1.00 15.00 N ATOM 0 H ASN A 14 9.722 6.893 -10.382 1.00 15.00 H new ATOM 0 HA ASN A 14 12.558 7.033 -9.781 1.00 15.00 H new ATOM 0 HB2 ASN A 14 10.778 7.678 -12.148 1.00 15.00 H new ATOM 0 HB3 ASN A 14 12.442 8.226 -12.116 1.00 15.00 H new ATOM 0 HD21 ASN A 14 12.179 4.885 -13.858 1.00 15.00 H new ATOM 0 HD22 ASN A 14 11.375 6.447 -14.045 1.00 15.00 H new ATOM 222 N ASP A 15 10.644 9.723 -9.931 1.00 15.00 N ATOM 223 CA ASP A 15 10.578 11.131 -9.558 1.00 15.00 C ATOM 224 C ASP A 15 11.023 11.323 -8.112 1.00 15.00 C ATOM 225 O ASP A 15 11.749 12.264 -7.792 1.00 15.00 O ATOM 226 CB ASP A 15 9.157 11.666 -9.744 1.00 15.00 C ATOM 227 CG ASP A 15 9.122 13.174 -9.904 1.00 15.00 C ATOM 228 OD1 ASP A 15 9.551 13.668 -10.969 1.00 15.00 O ATOM 229 OD2 ASP A 15 8.667 13.860 -8.965 1.00 15.00 O ATOM 0 H ASP A 15 9.772 9.341 -10.298 1.00 15.00 H new ATOM 0 HA ASP A 15 11.252 11.689 -10.208 1.00 15.00 H new ATOM 0 HB2 ASP A 15 8.708 11.200 -10.621 1.00 15.00 H new ATOM 0 HB3 ASP A 15 8.549 11.380 -8.885 1.00 15.00 H new ATOM 234 N ASN A 16 10.584 10.418 -7.244 1.00 15.00 N ATOM 235 CA ASN A 16 10.936 10.474 -5.831 1.00 15.00 C ATOM 236 C ASN A 16 10.610 9.154 -5.140 1.00 15.00 C ATOM 237 O ASN A 16 10.039 8.249 -5.748 1.00 15.00 O ATOM 238 CB ASN A 16 10.190 11.619 -5.142 1.00 15.00 C ATOM 239 CG ASN A 16 10.913 12.945 -5.278 1.00 15.00 C ATOM 240 OD1 ASN A 16 10.593 13.752 -6.150 1.00 15.00 O ATOM 241 ND2 ASN A 16 11.893 13.175 -4.413 1.00 15.00 N ATOM 0 H ASN A 16 9.982 9.634 -7.496 1.00 15.00 H new ATOM 0 HA ASN A 16 12.009 10.651 -5.755 1.00 15.00 H new ATOM 0 HB2 ASN A 16 9.191 11.707 -5.569 1.00 15.00 H new ATOM 0 HB3 ASN A 16 10.065 11.383 -4.085 1.00 15.00 H new ATOM 0 HD21 ASN A 16 12.415 14.050 -4.455 1.00 15.00 H new ATOM 0 HD22 ASN A 16 12.124 12.477 -3.706 1.00 15.00 H new ATOM 248 N SER A 17 10.970 9.053 -3.866 1.00 15.00 N ATOM 249 CA SER A 17 10.708 7.845 -3.091 1.00 15.00 C ATOM 250 C SER A 17 9.308 7.896 -2.489 1.00 15.00 C ATOM 251 O SER A 17 8.449 8.635 -2.968 1.00 15.00 O ATOM 252 CB SER A 17 11.747 7.690 -1.978 1.00 15.00 C ATOM 253 OG SER A 17 12.819 8.602 -2.146 1.00 15.00 O ATOM 0 H SER A 17 11.444 9.792 -3.347 1.00 15.00 H new ATOM 0 HA SER A 17 10.775 6.986 -3.759 1.00 15.00 H new ATOM 0 HB2 SER A 17 11.274 7.855 -1.010 1.00 15.00 H new ATOM 0 HB3 SER A 17 12.131 6.670 -1.975 1.00 15.00 H new ATOM 0 HG SER A 17 13.467 8.482 -1.421 1.00 15.00 H new ATOM 259 N LEU A 18 9.080 7.118 -1.436 1.00 15.00 N ATOM 260 CA LEU A 18 7.779 7.101 -0.783 1.00 15.00 C ATOM 261 C LEU A 18 7.812 7.915 0.505 1.00 15.00 C ATOM 262 O LEU A 18 8.784 8.616 0.783 1.00 15.00 O ATOM 263 CB LEU A 18 7.334 5.665 -0.487 1.00 15.00 C ATOM 264 CG LEU A 18 7.495 4.681 -1.649 1.00 15.00 C ATOM 265 CD1 LEU A 18 6.901 5.256 -2.926 1.00 15.00 C ATOM 266 CD2 LEU A 18 8.961 4.329 -1.851 1.00 15.00 C ATOM 0 H LEU A 18 9.774 6.496 -1.020 1.00 15.00 H new ATOM 0 HA LEU A 18 7.058 7.553 -1.464 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.904 5.293 0.365 1.00 15.00 H new ATOM 0 HB3 LEU A 18 6.286 5.681 -0.187 1.00 15.00 H new ATOM 0 HG LEU A 18 6.953 3.768 -1.402 1.00 15.00 H new ATOM 0 HD11 LEU A 18 7.026 4.541 -3.739 1.00 15.00 H new ATOM 0 HD12 LEU A 18 5.840 5.454 -2.777 1.00 15.00 H new ATOM 0 HD13 LEU A 18 7.411 6.185 -3.178 1.00 15.00 H new ATOM 0 HD21 LEU A 18 9.056 3.629 -2.681 1.00 15.00 H new ATOM 0 HD22 LEU A 18 9.525 5.235 -2.074 1.00 15.00 H new ATOM 0 HD23 LEU A 18 9.354 3.871 -0.943 1.00 15.00 H new ATOM 278 N GLY A 19 6.741 7.818 1.283 1.00 15.00 N ATOM 279 CA GLY A 19 6.653 8.552 2.532 1.00 15.00 C ATOM 280 C GLY A 19 5.520 8.063 3.402 1.00 15.00 C ATOM 281 O GLY A 19 4.882 8.845 4.102 1.00 15.00 O ATOM 0 H GLY A 19 5.927 7.241 1.070 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.593 8.456 3.075 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.514 9.612 2.320 1.00 15.00 H new ATOM 285 N ILE A 20 5.258 6.768 3.340 1.00 15.00 N ATOM 286 CA ILE A 20 4.187 6.167 4.116 1.00 15.00 C ATOM 287 C ILE A 20 4.722 5.229 5.192 1.00 15.00 C ATOM 288 O ILE A 20 5.650 4.455 4.955 1.00 15.00 O ATOM 289 CB ILE A 20 3.216 5.394 3.199 1.00 15.00 C ATOM 290 CG1 ILE A 20 1.785 5.869 3.422 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.312 3.897 3.442 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.747 4.935 2.853 1.00 15.00 C ATOM 0 H ILE A 20 5.776 6.110 2.757 1.00 15.00 H new ATOM 0 HA ILE A 20 3.655 6.982 4.606 1.00 15.00 H new ATOM 0 HB ILE A 20 3.499 5.592 2.165 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.611 5.985 4.492 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.663 6.854 2.971 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.617 3.376 2.783 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.328 3.560 3.238 1.00 15.00 H new ATOM 0 HG23 ILE A 20 3.059 3.680 4.480 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.248 5.335 3.048 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.895 4.838 1.777 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.843 3.956 3.322 1.00 15.00 H new ATOM 304 N SER A 21 4.091 5.269 6.355 1.00 15.00 N ATOM 305 CA SER A 21 4.455 4.388 7.450 1.00 15.00 C ATOM 306 C SER A 21 3.513 3.186 7.413 1.00 15.00 C ATOM 307 O SER A 21 2.324 3.314 7.701 1.00 15.00 O ATOM 308 CB SER A 21 4.365 5.131 8.788 1.00 15.00 C ATOM 309 OG SER A 21 4.605 4.255 9.876 1.00 15.00 O ATOM 0 H SER A 21 3.322 5.905 6.564 1.00 15.00 H new ATOM 0 HA SER A 21 5.486 4.049 7.345 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.091 5.944 8.805 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.378 5.582 8.891 1.00 15.00 H new ATOM 0 HG SER A 21 4.543 4.754 10.717 1.00 15.00 H new ATOM 315 N VAL A 22 4.033 2.033 6.997 1.00 15.00 N ATOM 316 CA VAL A 22 3.207 0.835 6.856 1.00 15.00 C ATOM 317 C VAL A 22 3.217 -0.046 8.098 1.00 15.00 C ATOM 318 O VAL A 22 4.179 -0.060 8.866 1.00 15.00 O ATOM 319 CB VAL A 22 3.666 -0.013 5.657 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.449 0.732 4.350 1.00 15.00 C ATOM 321 CG2 VAL A 22 5.124 -0.408 5.817 1.00 15.00 C ATOM 0 H VAL A 22 5.015 1.903 6.753 1.00 15.00 H new ATOM 0 HA VAL A 22 2.191 1.197 6.701 1.00 15.00 H new ATOM 0 HB VAL A 22 3.063 -0.921 5.628 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.781 0.111 3.518 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.390 0.959 4.232 1.00 15.00 H new ATOM 0 HG13 VAL A 22 4.020 1.660 4.361 1.00 15.00 H new ATOM 0 HG21 VAL A 22 5.435 -1.008 4.961 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.740 0.489 5.874 1.00 15.00 H new ATOM 0 HG23 VAL A 22 5.245 -0.990 6.731 1.00 15.00 H new ATOM 331 N THR A 23 2.122 -0.783 8.275 1.00 15.00 N ATOM 332 CA THR A 23 1.966 -1.683 9.410 1.00 15.00 C ATOM 333 C THR A 23 1.093 -2.886 9.037 1.00 15.00 C ATOM 334 O THR A 23 0.599 -2.986 7.909 1.00 15.00 O ATOM 335 CB THR A 23 1.351 -0.926 10.590 1.00 15.00 C ATOM 336 OG1 THR A 23 0.164 -0.262 10.194 1.00 15.00 O ATOM 337 CG2 THR A 23 2.279 0.111 11.184 1.00 15.00 C ATOM 0 H THR A 23 1.325 -0.772 7.639 1.00 15.00 H new ATOM 0 HA THR A 23 2.950 -2.055 9.696 1.00 15.00 H new ATOM 0 HB THR A 23 1.147 -1.684 11.346 1.00 15.00 H new ATOM 0 HG1 THR A 23 -0.300 0.080 10.987 1.00 15.00 H new ATOM 0 HG21 THR A 23 1.782 0.611 12.015 1.00 15.00 H new ATOM 0 HG22 THR A 23 3.186 -0.375 11.543 1.00 15.00 H new ATOM 0 HG23 THR A 23 2.539 0.846 10.422 1.00 15.00 H new ATOM 345 N GLY A 24 0.902 -3.795 9.992 1.00 15.00 N ATOM 346 CA GLY A 24 0.087 -4.976 9.750 1.00 15.00 C ATOM 347 C GLY A 24 0.763 -5.975 8.833 1.00 15.00 C ATOM 348 O GLY A 24 1.832 -6.494 9.152 1.00 15.00 O ATOM 0 H GLY A 24 1.298 -3.735 10.930 1.00 15.00 H new ATOM 0 HA2 GLY A 24 -0.139 -5.457 10.701 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.864 -4.673 9.312 1.00 15.00 H new ATOM 352 N GLY A 25 0.140 -6.242 7.688 1.00 15.00 N ATOM 353 CA GLY A 25 0.706 -7.178 6.732 1.00 15.00 C ATOM 354 C GLY A 25 0.709 -8.614 7.218 1.00 15.00 C ATOM 355 O GLY A 25 0.022 -9.464 6.652 1.00 15.00 O ATOM 0 H GLY A 25 -0.747 -5.826 7.405 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.142 -7.119 5.801 1.00 15.00 H new ATOM 0 HA3 GLY A 25 1.729 -6.878 6.504 1.00 15.00 H new ATOM 359 N VAL A 26 1.497 -8.884 8.259 1.00 15.00 N ATOM 360 CA VAL A 26 1.616 -10.232 8.833 1.00 15.00 C ATOM 361 C VAL A 26 0.336 -11.048 8.663 1.00 15.00 C ATOM 362 O VAL A 26 -0.769 -10.537 8.844 1.00 15.00 O ATOM 363 CB VAL A 26 1.980 -10.179 10.331 1.00 15.00 C ATOM 364 CG1 VAL A 26 3.474 -10.382 10.526 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.531 -8.863 10.945 1.00 15.00 C ATOM 0 H VAL A 26 2.069 -8.182 8.728 1.00 15.00 H new ATOM 0 HA VAL A 26 2.418 -10.722 8.282 1.00 15.00 H new ATOM 0 HB VAL A 26 1.457 -10.988 10.840 1.00 15.00 H new ATOM 0 HG11 VAL A 26 3.711 -10.341 11.589 1.00 15.00 H new ATOM 0 HG12 VAL A 26 3.764 -11.354 10.126 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.019 -9.597 10.002 1.00 15.00 H new ATOM 0 HG21 VAL A 26 1.797 -8.845 12.002 1.00 15.00 H new ATOM 0 HG22 VAL A 26 2.023 -8.036 10.433 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.451 -8.763 10.841 1.00 15.00 H new ATOM 375 N ASN A 27 0.500 -12.318 8.310 1.00 15.00 N ATOM 376 CA ASN A 27 -0.633 -13.212 8.106 1.00 15.00 C ATOM 377 C ASN A 27 -1.236 -13.645 9.439 1.00 15.00 C ATOM 378 O ASN A 27 -1.224 -14.827 9.783 1.00 15.00 O ATOM 379 CB ASN A 27 -0.196 -14.442 7.308 1.00 15.00 C ATOM 380 CG ASN A 27 0.407 -14.076 5.966 1.00 15.00 C ATOM 381 OD1 ASN A 27 1.300 -13.234 5.882 1.00 15.00 O ATOM 382 ND2 ASN A 27 -0.080 -14.710 4.905 1.00 15.00 N ATOM 0 H ASN A 27 1.410 -12.753 8.159 1.00 15.00 H new ATOM 0 HA ASN A 27 -1.395 -12.671 7.545 1.00 15.00 H new ATOM 0 HB2 ASN A 27 0.533 -15.008 7.888 1.00 15.00 H new ATOM 0 HB3 ASN A 27 -1.055 -15.094 7.151 1.00 15.00 H new ATOM 0 HD21 ASN A 27 0.287 -14.505 3.976 1.00 15.00 H new ATOM 0 HD22 ASN A 27 -0.821 -15.402 5.020 1.00 15.00 H new ATOM 389 N THR A 28 -1.764 -12.681 10.186 1.00 15.00 N ATOM 390 CA THR A 28 -2.372 -12.966 11.481 1.00 15.00 C ATOM 391 C THR A 28 -3.461 -11.950 11.811 1.00 15.00 C ATOM 392 O THR A 28 -4.578 -12.318 12.173 1.00 15.00 O ATOM 393 CB THR A 28 -1.307 -12.962 12.579 1.00 15.00 C ATOM 394 OG1 THR A 28 -0.234 -13.822 12.240 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.837 -13.400 13.928 1.00 15.00 C ATOM 0 H THR A 28 -1.783 -11.697 9.918 1.00 15.00 H new ATOM 0 HA THR A 28 -2.829 -13.954 11.428 1.00 15.00 H new ATOM 0 HB THR A 28 -0.975 -11.927 12.655 1.00 15.00 H new ATOM 0 HG1 THR A 28 0.437 -13.804 12.954 1.00 15.00 H new ATOM 0 HG21 THR A 28 -1.031 -13.375 14.661 1.00 15.00 H new ATOM 0 HG22 THR A 28 -2.634 -12.726 14.242 1.00 15.00 H new ATOM 0 HG23 THR A 28 -2.228 -14.415 13.853 1.00 15.00 H new ATOM 403 N SER A 29 -3.127 -10.670 11.687 1.00 15.00 N ATOM 404 CA SER A 29 -4.076 -9.601 11.976 1.00 15.00 C ATOM 405 C SER A 29 -4.901 -9.249 10.742 1.00 15.00 C ATOM 406 O SER A 29 -6.046 -8.809 10.855 1.00 15.00 O ATOM 407 CB SER A 29 -3.338 -8.360 12.481 1.00 15.00 C ATOM 408 OG SER A 29 -4.243 -7.410 13.016 1.00 15.00 O ATOM 0 H SER A 29 -2.207 -10.348 11.388 1.00 15.00 H new ATOM 0 HA SER A 29 -4.755 -9.955 12.752 1.00 15.00 H new ATOM 0 HB2 SER A 29 -2.615 -8.648 13.244 1.00 15.00 H new ATOM 0 HB3 SER A 29 -2.775 -7.910 11.663 1.00 15.00 H new ATOM 0 HG SER A 29 -3.746 -6.627 13.333 1.00 15.00 H new ATOM 414 N VAL A 30 -4.314 -9.441 9.565 1.00 15.00 N ATOM 415 CA VAL A 30 -4.998 -9.139 8.314 1.00 15.00 C ATOM 416 C VAL A 30 -5.861 -10.311 7.857 1.00 15.00 C ATOM 417 O VAL A 30 -5.966 -11.325 8.548 1.00 15.00 O ATOM 418 CB VAL A 30 -3.999 -8.784 7.196 1.00 15.00 C ATOM 419 CG1 VAL A 30 -3.194 -7.549 7.571 1.00 15.00 C ATOM 420 CG2 VAL A 30 -3.079 -9.961 6.903 1.00 15.00 C ATOM 0 H VAL A 30 -3.367 -9.804 9.452 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.637 -8.277 8.507 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.563 -8.561 6.290 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.494 -7.314 6.769 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.869 -6.707 7.722 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -2.641 -7.740 8.491 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -2.382 -9.689 6.111 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -2.522 -10.220 7.803 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.674 -10.817 6.585 1.00 15.00 H new ATOM 430 N ARG A 31 -6.479 -10.163 6.689 1.00 15.00 N ATOM 431 CA ARG A 31 -7.335 -11.206 6.137 1.00 15.00 C ATOM 432 C ARG A 31 -6.547 -12.488 5.887 1.00 15.00 C ATOM 433 O ARG A 31 -6.989 -13.579 6.249 1.00 15.00 O ATOM 434 CB ARG A 31 -7.981 -10.725 4.835 1.00 15.00 C ATOM 435 CG ARG A 31 -9.491 -10.898 4.803 1.00 15.00 C ATOM 436 CD ARG A 31 -10.090 -10.324 3.529 1.00 15.00 C ATOM 437 NE ARG A 31 -11.384 -9.690 3.770 1.00 15.00 N ATOM 438 CZ ARG A 31 -12.525 -10.362 3.901 1.00 15.00 C ATOM 439 NH1 ARG A 31 -12.536 -11.687 3.817 1.00 15.00 N ATOM 440 NH2 ARG A 31 -13.658 -9.709 4.117 1.00 15.00 N ATOM 0 H ARG A 31 -6.402 -9.329 6.106 1.00 15.00 H new ATOM 0 HA ARG A 31 -8.116 -11.423 6.865 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -7.741 -9.672 4.688 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -7.544 -11.271 3.999 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -9.739 -11.957 4.878 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -9.933 -10.405 5.669 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -9.402 -9.594 3.102 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -10.207 -11.120 2.793 1.00 15.00 H new ATOM 0 HE ARG A 31 -11.415 -8.673 3.842 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -11.667 -12.195 3.651 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -13.413 -12.197 3.918 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -13.655 -8.691 4.183 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -14.532 -10.224 4.217 1.00 15.00 H new ATOM 454 N HIS A 32 -5.381 -12.353 5.264 1.00 15.00 N ATOM 455 CA HIS A 32 -4.539 -13.506 4.965 1.00 15.00 C ATOM 456 C HIS A 32 -3.059 -13.133 4.998 1.00 15.00 C ATOM 457 O HIS A 32 -2.295 -13.665 5.801 1.00 15.00 O ATOM 458 CB HIS A 32 -4.899 -14.083 3.595 1.00 15.00 C ATOM 459 CG HIS A 32 -6.356 -14.391 3.440 1.00 15.00 C ATOM 460 ND1 HIS A 32 -7.033 -15.261 4.269 1.00 15.00 N ATOM 461 CD2 HIS A 32 -7.268 -13.940 2.546 1.00 15.00 C ATOM 462 CE1 HIS A 32 -8.297 -15.333 3.890 1.00 15.00 C ATOM 463 NE2 HIS A 32 -8.465 -14.540 2.848 1.00 15.00 N ATOM 0 H HIS A 32 -4.998 -11.459 4.957 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.719 -14.260 5.732 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -4.601 -13.375 2.822 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -4.324 -14.994 3.431 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -7.087 -13.239 1.745 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -9.062 -15.938 4.354 1.00 15.00 H new ATOM 0 HE2 HIS A 32 -9.342 -14.396 2.348 1.00 15.00 H new ATOM 472 N GLY A 33 -2.661 -12.223 4.116 1.00 15.00 N ATOM 473 CA GLY A 33 -1.272 -11.801 4.056 1.00 15.00 C ATOM 474 C GLY A 33 -1.089 -10.507 3.286 1.00 15.00 C ATOM 475 O GLY A 33 -0.009 -10.234 2.763 1.00 15.00 O ATOM 0 H GLY A 33 -3.275 -11.769 3.440 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.891 -11.674 5.069 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.678 -12.585 3.588 1.00 15.00 H new ATOM 479 N GLY A 34 -2.141 -9.698 3.231 1.00 15.00 N ATOM 480 CA GLY A 34 -2.058 -8.427 2.540 1.00 15.00 C ATOM 481 C GLY A 34 -1.601 -7.338 3.482 1.00 15.00 C ATOM 482 O GLY A 34 -1.751 -7.473 4.696 1.00 15.00 O ATOM 0 H GLY A 34 -3.048 -9.900 3.652 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.364 -8.507 1.703 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.032 -8.170 2.123 1.00 15.00 H new ATOM 486 N ILE A 35 -1.034 -6.262 2.951 1.00 15.00 N ATOM 487 CA ILE A 35 -0.563 -5.189 3.814 1.00 15.00 C ATOM 488 C ILE A 35 -1.606 -4.105 3.993 1.00 15.00 C ATOM 489 O ILE A 35 -2.431 -3.853 3.115 1.00 15.00 O ATOM 490 CB ILE A 35 0.751 -4.554 3.307 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.710 -4.337 4.488 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.486 -3.248 2.558 1.00 15.00 C ATOM 493 CD1 ILE A 35 1.677 -2.942 5.082 1.00 15.00 C ATOM 0 H ILE A 35 -0.892 -6.111 1.952 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.369 -5.657 4.779 1.00 15.00 H new ATOM 0 HB ILE A 35 1.218 -5.237 2.598 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.470 -5.056 5.271 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.726 -4.553 4.158 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.431 -2.827 2.215 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.157 -3.445 1.700 1.00 15.00 H new ATOM 0 HG23 ILE A 35 -0.006 -2.540 3.225 1.00 15.00 H new ATOM 0 HD11 ILE A 35 2.385 -2.882 5.909 1.00 15.00 H new ATOM 0 HD12 ILE A 35 1.949 -2.214 4.317 1.00 15.00 H new ATOM 0 HD13 ILE A 35 0.673 -2.726 5.448 1.00 15.00 H new ATOM 505 N TYR A 36 -1.533 -3.453 5.137 1.00 15.00 N ATOM 506 CA TYR A 36 -2.435 -2.368 5.460 1.00 15.00 C ATOM 507 C TYR A 36 -1.637 -1.206 6.012 1.00 15.00 C ATOM 508 O TYR A 36 -1.121 -1.269 7.128 1.00 15.00 O ATOM 509 CB TYR A 36 -3.489 -2.820 6.470 1.00 15.00 C ATOM 510 CG TYR A 36 -4.466 -3.821 5.905 1.00 15.00 C ATOM 511 CD1 TYR A 36 -4.096 -5.145 5.710 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.757 -3.443 5.563 1.00 15.00 C ATOM 513 CE1 TYR A 36 -4.985 -6.064 5.191 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.653 -4.356 5.043 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.262 -5.666 4.859 1.00 15.00 C ATOM 516 OH TYR A 36 -7.151 -6.579 4.341 1.00 15.00 O ATOM 0 H TYR A 36 -0.849 -3.660 5.865 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.955 -2.055 4.555 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -2.990 -3.258 7.334 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -4.038 -1.948 6.827 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -3.096 -5.461 5.969 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -6.066 -2.418 5.706 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.681 -7.090 5.046 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.654 -4.046 4.782 1.00 15.00 H new ATOM 0 HH TYR A 36 -8.007 -6.137 4.162 1.00 15.00 H new ATOM 526 N VAL A 37 -1.510 -0.155 5.219 1.00 15.00 N ATOM 527 CA VAL A 37 -0.735 1.003 5.644 1.00 15.00 C ATOM 528 C VAL A 37 -1.239 1.527 6.978 1.00 15.00 C ATOM 529 O VAL A 37 -2.408 1.371 7.324 1.00 15.00 O ATOM 530 CB VAL A 37 -0.703 2.158 4.594 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.971 1.660 3.189 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.658 3.296 4.925 1.00 15.00 C ATOM 0 H VAL A 37 -1.926 -0.077 4.291 1.00 15.00 H new ATOM 0 HA VAL A 37 0.291 0.650 5.749 1.00 15.00 H new ATOM 0 HB VAL A 37 0.312 2.553 4.640 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.939 2.499 2.493 1.00 15.00 H new ATOM 0 HG12 VAL A 37 -0.212 0.929 2.911 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.956 1.194 3.150 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.587 4.066 4.157 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.678 2.915 4.964 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.393 3.723 5.892 1.00 15.00 H new ATOM 542 N LYS A 38 -0.348 2.159 7.717 1.00 15.00 N ATOM 543 CA LYS A 38 -0.705 2.720 9.005 1.00 15.00 C ATOM 544 C LYS A 38 -1.220 4.136 8.797 1.00 15.00 C ATOM 545 O LYS A 38 -2.271 4.509 9.314 1.00 15.00 O ATOM 546 CB LYS A 38 0.496 2.650 9.974 1.00 15.00 C ATOM 547 CG LYS A 38 1.211 3.971 10.256 1.00 15.00 C ATOM 548 CD LYS A 38 1.097 4.364 11.720 1.00 15.00 C ATOM 549 CE LYS A 38 0.035 5.432 11.930 1.00 15.00 C ATOM 550 NZ LYS A 38 -0.275 5.632 13.372 1.00 15.00 N ATOM 0 H LYS A 38 0.626 2.297 7.448 1.00 15.00 H new ATOM 0 HA LYS A 38 -1.503 2.139 9.468 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.148 2.239 10.922 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.223 1.946 9.569 1.00 15.00 H new ATOM 0 HG2 LYS A 38 2.262 3.883 9.983 1.00 15.00 H new ATOM 0 HG3 LYS A 38 0.785 4.757 9.633 1.00 15.00 H new ATOM 0 HD2 LYS A 38 0.853 3.485 12.316 1.00 15.00 H new ATOM 0 HD3 LYS A 38 2.060 4.732 12.075 1.00 15.00 H new ATOM 0 HE2 LYS A 38 0.376 6.373 11.498 1.00 15.00 H new ATOM 0 HE3 LYS A 38 -0.874 5.149 11.399 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 -1.003 6.368 13.472 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 -0.625 4.741 13.779 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 0.586 5.927 13.875 1.00 15.00 H new ATOM 564 N ALA A 39 -0.478 4.909 8.009 1.00 15.00 N ATOM 565 CA ALA A 39 -0.860 6.272 7.688 1.00 15.00 C ATOM 566 C ALA A 39 0.080 6.848 6.640 1.00 15.00 C ATOM 567 O ALA A 39 1.140 6.285 6.381 1.00 15.00 O ATOM 568 CB ALA A 39 -0.884 7.129 8.937 1.00 15.00 C ATOM 0 H ALA A 39 0.397 4.607 7.580 1.00 15.00 H new ATOM 0 HA ALA A 39 -1.868 6.266 7.273 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -1.173 8.147 8.674 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.604 6.719 9.646 1.00 15.00 H new ATOM 0 HB3 ALA A 39 0.107 7.139 9.391 1.00 15.00 H new ATOM 574 N VAL A 40 -0.295 7.979 6.058 1.00 15.00 N ATOM 575 CA VAL A 40 0.546 8.622 5.053 1.00 15.00 C ATOM 576 C VAL A 40 1.380 9.716 5.707 1.00 15.00 C ATOM 577 O VAL A 40 0.849 10.718 6.185 1.00 15.00 O ATOM 578 CB VAL A 40 -0.276 9.220 3.893 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.387 8.227 2.748 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.652 9.640 4.370 1.00 15.00 C ATOM 0 H VAL A 40 -1.167 8.468 6.261 1.00 15.00 H new ATOM 0 HA VAL A 40 1.194 7.854 4.631 1.00 15.00 H new ATOM 0 HB VAL A 40 0.244 10.106 3.529 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -0.970 8.668 1.940 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.610 7.980 2.383 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.880 7.321 3.099 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.214 10.059 3.535 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -2.181 8.772 4.765 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -1.552 10.391 5.153 1.00 15.00 H new ATOM 590 N ILE A 41 2.688 9.488 5.764 1.00 15.00 N ATOM 591 CA ILE A 41 3.609 10.420 6.405 1.00 15.00 C ATOM 592 C ILE A 41 3.931 11.628 5.526 1.00 15.00 C ATOM 593 O ILE A 41 4.599 11.502 4.499 1.00 15.00 O ATOM 594 CB ILE A 41 4.910 9.689 6.834 1.00 15.00 C ATOM 595 CG1 ILE A 41 4.636 8.672 7.956 1.00 15.00 C ATOM 596 CG2 ILE A 41 5.976 10.674 7.282 1.00 15.00 C ATOM 597 CD1 ILE A 41 3.215 8.146 8.003 1.00 15.00 C ATOM 0 H ILE A 41 3.136 8.660 5.371 1.00 15.00 H new ATOM 0 HA ILE A 41 3.107 10.804 7.293 1.00 15.00 H new ATOM 0 HB ILE A 41 5.278 9.153 5.959 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.317 7.829 7.838 1.00 15.00 H new ATOM 0 HG13 ILE A 41 4.868 9.137 8.914 1.00 15.00 H new ATOM 0 HG21 ILE A 41 6.874 10.130 7.576 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.214 11.351 6.461 1.00 15.00 H new ATOM 0 HG23 ILE A 41 5.606 11.249 8.131 1.00 15.00 H new ATOM 0 HD11 ILE A 41 3.117 7.436 8.825 1.00 15.00 H new ATOM 0 HD12 ILE A 41 2.525 8.976 8.156 1.00 15.00 H new ATOM 0 HD13 ILE A 41 2.980 7.647 7.063 1.00 15.00 H new ATOM 609 N PRO A 42 3.450 12.827 5.935 1.00 15.00 N ATOM 610 CA PRO A 42 3.676 14.075 5.196 1.00 15.00 C ATOM 611 C PRO A 42 5.141 14.481 5.161 1.00 15.00 C ATOM 612 O PRO A 42 5.532 15.513 5.707 1.00 15.00 O ATOM 613 CB PRO A 42 2.850 15.112 5.964 1.00 15.00 C ATOM 614 CG PRO A 42 2.700 14.545 7.331 1.00 15.00 C ATOM 615 CD PRO A 42 2.648 13.054 7.154 1.00 15.00 C ATOM 0 HA PRO A 42 3.388 13.975 4.150 1.00 15.00 H new ATOM 0 HB2 PRO A 42 3.354 16.078 5.990 1.00 15.00 H new ATOM 0 HB3 PRO A 42 1.880 15.271 5.494 1.00 15.00 H new ATOM 0 HG2 PRO A 42 3.536 14.834 7.968 1.00 15.00 H new ATOM 0 HG3 PRO A 42 1.793 14.914 7.810 1.00 15.00 H new ATOM 0 HD2 PRO A 42 3.067 12.532 8.014 1.00 15.00 H new ATOM 0 HD3 PRO A 42 1.625 12.699 7.034 1.00 15.00 H new ATOM 623 N GLN A 43 5.941 13.662 4.499 1.00 15.00 N ATOM 624 CA GLN A 43 7.364 13.914 4.359 1.00 15.00 C ATOM 625 C GLN A 43 7.847 13.332 3.042 1.00 15.00 C ATOM 626 O GLN A 43 8.472 14.017 2.232 1.00 15.00 O ATOM 627 CB GLN A 43 8.138 13.296 5.526 1.00 15.00 C ATOM 628 CG GLN A 43 8.504 14.295 6.611 1.00 15.00 C ATOM 629 CD GLN A 43 9.707 13.858 7.423 1.00 15.00 C ATOM 630 OE1 GLN A 43 9.598 13.013 8.311 1.00 15.00 O ATOM 631 NE2 GLN A 43 10.865 14.434 7.122 1.00 15.00 N ATOM 0 H GLN A 43 5.623 12.806 4.045 1.00 15.00 H new ATOM 0 HA GLN A 43 7.539 14.990 4.368 1.00 15.00 H new ATOM 0 HB2 GLN A 43 7.540 12.498 5.966 1.00 15.00 H new ATOM 0 HB3 GLN A 43 9.050 12.837 5.144 1.00 15.00 H new ATOM 0 HG2 GLN A 43 8.711 15.263 6.154 1.00 15.00 H new ATOM 0 HG3 GLN A 43 7.651 14.432 7.276 1.00 15.00 H new ATOM 0 HE21 GLN A 43 10.910 15.130 6.378 1.00 15.00 H new ATOM 0 HE22 GLN A 43 11.709 14.180 7.635 1.00 15.00 H new ATOM 640 N GLY A 44 7.532 12.059 2.831 1.00 15.00 N ATOM 641 CA GLY A 44 7.917 11.394 1.607 1.00 15.00 C ATOM 642 C GLY A 44 6.887 11.564 0.504 1.00 15.00 C ATOM 643 O GLY A 44 5.695 11.773 0.772 1.00 15.00 O ATOM 0 H GLY A 44 7.015 11.477 3.490 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.875 11.789 1.269 1.00 15.00 H new ATOM 0 HA3 GLY A 44 8.061 10.332 1.804 1.00 15.00 H new ATOM 647 N ALA A 45 7.362 11.470 -0.735 1.00 15.00 N ATOM 648 CA ALA A 45 6.529 11.615 -1.932 1.00 15.00 C ATOM 649 C ALA A 45 5.161 10.939 -1.818 1.00 15.00 C ATOM 650 O ALA A 45 4.259 11.239 -2.600 1.00 15.00 O ATOM 651 CB ALA A 45 7.271 11.068 -3.141 1.00 15.00 C ATOM 0 H ALA A 45 8.344 11.289 -0.941 1.00 15.00 H new ATOM 0 HA ALA A 45 6.337 12.682 -2.046 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.649 11.177 -4.030 1.00 15.00 H new ATOM 0 HB2 ALA A 45 8.200 11.621 -3.278 1.00 15.00 H new ATOM 0 HB3 ALA A 45 7.496 10.013 -2.983 1.00 15.00 H new ATOM 657 N ALA A 46 5.001 10.025 -0.869 1.00 15.00 N ATOM 658 CA ALA A 46 3.732 9.330 -0.713 1.00 15.00 C ATOM 659 C ALA A 46 2.657 10.251 -0.145 1.00 15.00 C ATOM 660 O ALA A 46 1.727 10.632 -0.857 1.00 15.00 O ATOM 661 CB ALA A 46 3.902 8.107 0.172 1.00 15.00 C ATOM 0 H ALA A 46 5.724 9.751 -0.204 1.00 15.00 H new ATOM 0 HA ALA A 46 3.406 9.008 -1.702 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.944 7.599 0.278 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.625 7.428 -0.281 1.00 15.00 H new ATOM 0 HB3 ALA A 46 4.260 8.416 1.154 1.00 15.00 H new ATOM 667 N GLU A 47 2.781 10.615 1.131 1.00 15.00 N ATOM 668 CA GLU A 47 1.800 11.505 1.752 1.00 15.00 C ATOM 669 C GLU A 47 1.726 12.820 0.982 1.00 15.00 C ATOM 670 O GLU A 47 0.651 13.394 0.812 1.00 15.00 O ATOM 671 CB GLU A 47 2.101 11.729 3.247 1.00 15.00 C ATOM 672 CG GLU A 47 0.992 12.455 4.007 1.00 15.00 C ATOM 673 CD GLU A 47 0.692 13.841 3.467 1.00 15.00 C ATOM 674 OE1 GLU A 47 1.641 14.540 3.053 1.00 15.00 O ATOM 675 OE2 GLU A 47 -0.495 14.229 3.458 1.00 15.00 O ATOM 0 H GLU A 47 3.537 10.314 1.746 1.00 15.00 H new ATOM 0 HA GLU A 47 0.821 11.027 1.703 1.00 15.00 H new ATOM 0 HB2 GLU A 47 2.277 10.763 3.719 1.00 15.00 H new ATOM 0 HB3 GLU A 47 3.024 12.302 3.339 1.00 15.00 H new ATOM 0 HG2 GLU A 47 0.083 11.855 3.968 1.00 15.00 H new ATOM 0 HG3 GLU A 47 1.275 12.537 5.056 1.00 15.00 H new ATOM 682 N SER A 48 2.879 13.282 0.503 1.00 15.00 N ATOM 683 CA SER A 48 2.947 14.520 -0.265 1.00 15.00 C ATOM 684 C SER A 48 2.016 14.448 -1.469 1.00 15.00 C ATOM 685 O SER A 48 1.026 15.176 -1.545 1.00 15.00 O ATOM 686 CB SER A 48 4.382 14.781 -0.727 1.00 15.00 C ATOM 687 OG SER A 48 5.205 15.172 0.358 1.00 15.00 O ATOM 0 H SER A 48 3.777 12.817 0.634 1.00 15.00 H new ATOM 0 HA SER A 48 2.629 15.342 0.376 1.00 15.00 H new ATOM 0 HB2 SER A 48 4.788 13.881 -1.189 1.00 15.00 H new ATOM 0 HB3 SER A 48 4.386 15.560 -1.489 1.00 15.00 H new ATOM 0 HG SER A 48 6.117 15.331 0.036 1.00 15.00 H new ATOM 693 N ASP A 49 2.329 13.552 -2.401 1.00 15.00 N ATOM 694 CA ASP A 49 1.507 13.375 -3.589 1.00 15.00 C ATOM 695 C ASP A 49 0.113 12.909 -3.191 1.00 15.00 C ATOM 696 O ASP A 49 -0.888 13.326 -3.774 1.00 15.00 O ATOM 697 CB ASP A 49 2.147 12.360 -4.534 1.00 15.00 C ATOM 698 CG ASP A 49 3.303 12.948 -5.319 1.00 15.00 C ATOM 699 OD1 ASP A 49 3.064 13.870 -6.127 1.00 15.00 O ATOM 700 OD2 ASP A 49 4.447 12.487 -5.126 1.00 15.00 O ATOM 0 H ASP A 49 3.144 12.940 -2.355 1.00 15.00 H new ATOM 0 HA ASP A 49 1.430 14.331 -4.106 1.00 15.00 H new ATOM 0 HB2 ASP A 49 2.500 11.505 -3.958 1.00 15.00 H new ATOM 0 HB3 ASP A 49 1.393 11.988 -5.227 1.00 15.00 H new ATOM 705 N GLY A 50 0.063 12.042 -2.185 1.00 15.00 N ATOM 706 CA GLY A 50 -1.203 11.526 -1.706 1.00 15.00 C ATOM 707 C GLY A 50 -1.721 10.384 -2.556 1.00 15.00 C ATOM 708 O GLY A 50 -2.907 10.331 -2.880 1.00 15.00 O ATOM 0 H GLY A 50 0.882 11.687 -1.692 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.087 11.186 -0.677 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -1.939 12.330 -1.695 1.00 15.00 H new ATOM 712 N ARG A 51 -0.831 9.466 -2.920 1.00 15.00 N ATOM 713 CA ARG A 51 -1.211 8.322 -3.738 1.00 15.00 C ATOM 714 C ARG A 51 -1.874 7.247 -2.883 1.00 15.00 C ATOM 715 O ARG A 51 -3.017 6.861 -3.128 1.00 15.00 O ATOM 716 CB ARG A 51 0.019 7.746 -4.446 1.00 15.00 C ATOM 717 CG ARG A 51 -0.188 7.507 -5.930 1.00 15.00 C ATOM 718 CD ARG A 51 -0.599 8.779 -6.653 1.00 15.00 C ATOM 719 NE ARG A 51 -2.049 8.885 -6.796 1.00 15.00 N ATOM 720 CZ ARG A 51 -2.686 10.026 -7.049 1.00 15.00 C ATOM 721 NH1 ARG A 51 -2.007 11.157 -7.186 1.00 15.00 N ATOM 722 NH2 ARG A 51 -4.007 10.036 -7.163 1.00 15.00 N ATOM 0 H ARG A 51 0.155 9.493 -2.662 1.00 15.00 H new ATOM 0 HA ARG A 51 -1.927 8.658 -4.488 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.858 8.428 -4.310 1.00 15.00 H new ATOM 0 HB3 ARG A 51 0.294 6.805 -3.970 1.00 15.00 H new ATOM 0 HG2 ARG A 51 0.732 7.121 -6.368 1.00 15.00 H new ATOM 0 HG3 ARG A 51 -0.953 6.744 -6.072 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -0.225 9.644 -6.105 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -0.135 8.801 -7.639 1.00 15.00 H new ATOM 0 HE ARG A 51 -2.605 8.036 -6.696 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -0.991 11.156 -7.098 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -2.501 12.028 -7.380 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -4.535 9.170 -7.057 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -4.496 10.910 -7.357 1.00 15.00 H new ATOM 736 N ILE A 52 -1.150 6.772 -1.876 1.00 15.00 N ATOM 737 CA ILE A 52 -1.663 5.746 -0.979 1.00 15.00 C ATOM 738 C ILE A 52 -2.465 6.372 0.164 1.00 15.00 C ATOM 739 O ILE A 52 -2.363 7.571 0.421 1.00 15.00 O ATOM 740 CB ILE A 52 -0.513 4.898 -0.395 1.00 15.00 C ATOM 741 CG1 ILE A 52 0.241 4.178 -1.516 1.00 15.00 C ATOM 742 CG2 ILE A 52 -1.042 3.889 0.610 1.00 15.00 C ATOM 743 CD1 ILE A 52 -0.139 2.718 -1.654 1.00 15.00 C ATOM 0 H ILE A 52 -0.203 7.083 -1.661 1.00 15.00 H new ATOM 0 HA ILE A 52 -2.319 5.100 -1.562 1.00 15.00 H new ATOM 0 HB ILE A 52 0.175 5.568 0.120 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.047 4.687 -2.460 1.00 15.00 H new ATOM 0 HG13 ILE A 52 1.312 4.251 -1.329 1.00 15.00 H new ATOM 0 HG21 ILE A 52 -0.213 3.303 1.008 1.00 15.00 H new ATOM 0 HG22 ILE A 52 -1.540 4.414 1.425 1.00 15.00 H new ATOM 0 HG23 ILE A 52 -1.753 3.225 0.119 1.00 15.00 H new ATOM 0 HD11 ILE A 52 0.432 2.269 -2.466 1.00 15.00 H new ATOM 0 HD12 ILE A 52 0.081 2.195 -0.723 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -1.204 2.638 -1.872 1.00 15.00 H new ATOM 755 N HIS A 53 -3.260 5.551 0.845 1.00 15.00 N ATOM 756 CA HIS A 53 -4.076 6.020 1.956 1.00 15.00 C ATOM 757 C HIS A 53 -4.080 5.024 3.099 1.00 15.00 C ATOM 758 O HIS A 53 -3.845 3.830 2.915 1.00 15.00 O ATOM 759 CB HIS A 53 -5.507 6.298 1.493 1.00 15.00 C ATOM 760 CG HIS A 53 -5.592 7.299 0.384 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.177 7.034 -0.904 1.00 15.00 N ATOM 762 CD2 HIS A 53 -6.049 8.574 0.374 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.373 8.101 -1.657 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.902 9.049 -0.906 1.00 15.00 N ATOM 0 H HIS A 53 -3.355 4.555 0.644 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.636 6.949 2.319 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.962 5.364 1.164 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -6.092 6.656 2.341 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -6.454 9.116 1.216 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.140 8.184 -2.708 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -6.160 9.983 -1.225 1.00 15.00 H new ATOM 773 N LYS A 54 -4.324 5.556 4.286 1.00 15.00 N ATOM 774 CA LYS A 54 -4.343 4.785 5.516 1.00 15.00 C ATOM 775 C LYS A 54 -4.921 3.377 5.332 1.00 15.00 C ATOM 776 O LYS A 54 -5.971 3.198 4.715 1.00 15.00 O ATOM 777 CB LYS A 54 -5.144 5.538 6.580 1.00 15.00 C ATOM 778 CG LYS A 54 -4.306 6.007 7.755 1.00 15.00 C ATOM 779 CD LYS A 54 -5.098 5.979 9.052 1.00 15.00 C ATOM 780 CE LYS A 54 -5.276 4.559 9.565 1.00 15.00 C ATOM 781 NZ LYS A 54 -6.517 4.413 10.374 1.00 15.00 N ATOM 0 H LYS A 54 -4.517 6.548 4.423 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.307 4.663 5.833 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.622 6.402 6.118 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.940 4.891 6.948 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -3.426 5.372 7.852 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -3.949 7.020 7.567 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -4.586 6.578 9.805 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -6.075 6.435 8.893 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -5.309 3.870 8.721 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -4.413 4.281 10.170 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -6.602 3.431 10.705 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -6.475 5.052 11.193 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -7.343 4.654 9.789 1.00 15.00 H new ATOM 795 N GLY A 55 -4.227 2.386 5.895 1.00 15.00 N ATOM 796 CA GLY A 55 -4.675 1.003 5.813 1.00 15.00 C ATOM 797 C GLY A 55 -5.007 0.547 4.407 1.00 15.00 C ATOM 798 O GLY A 55 -5.909 -0.269 4.219 1.00 15.00 O ATOM 0 H GLY A 55 -3.356 2.519 6.410 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.899 0.355 6.221 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.556 0.879 6.442 1.00 15.00 H new ATOM 802 N ASP A 56 -4.280 1.050 3.416 1.00 15.00 N ATOM 803 CA ASP A 56 -4.524 0.650 2.039 1.00 15.00 C ATOM 804 C ASP A 56 -4.200 -0.828 1.846 1.00 15.00 C ATOM 805 O ASP A 56 -3.129 -1.294 2.242 1.00 15.00 O ATOM 806 CB ASP A 56 -3.695 1.503 1.079 1.00 15.00 C ATOM 807 CG ASP A 56 -4.540 2.512 0.327 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.783 2.406 0.381 1.00 15.00 O ATOM 809 OD2 ASP A 56 -3.959 3.407 -0.320 1.00 15.00 O ATOM 0 H ASP A 56 -3.527 1.727 3.539 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.580 0.806 1.819 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -2.921 2.027 1.639 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -3.188 0.854 0.365 1.00 15.00 H new ATOM 814 N ARG A 57 -5.133 -1.555 1.236 1.00 15.00 N ATOM 815 CA ARG A 57 -4.959 -2.981 0.980 1.00 15.00 C ATOM 816 C ARG A 57 -4.136 -3.201 -0.284 1.00 15.00 C ATOM 817 O ARG A 57 -4.686 -3.367 -1.372 1.00 15.00 O ATOM 818 CB ARG A 57 -6.323 -3.662 0.839 1.00 15.00 C ATOM 819 CG ARG A 57 -6.413 -4.998 1.555 1.00 15.00 C ATOM 820 CD ARG A 57 -5.507 -6.038 0.916 1.00 15.00 C ATOM 821 NE ARG A 57 -5.522 -7.301 1.651 1.00 15.00 N ATOM 822 CZ ARG A 57 -6.431 -8.256 1.469 1.00 15.00 C ATOM 823 NH1 ARG A 57 -7.406 -8.096 0.584 1.00 15.00 N ATOM 824 NH2 ARG A 57 -6.366 -9.375 2.178 1.00 15.00 N ATOM 0 H ARG A 57 -6.022 -1.177 0.909 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.427 -3.420 1.824 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -7.094 -2.997 1.230 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -6.537 -3.811 -0.219 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -6.138 -4.869 2.602 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -7.444 -5.352 1.537 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -5.824 -6.213 -0.112 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -4.488 -5.655 0.874 1.00 15.00 H new ATOM 0 HE ARG A 57 -4.792 -7.460 2.345 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -7.463 -7.237 0.037 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -8.099 -8.832 0.450 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -5.620 -9.503 2.862 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -7.062 -10.108 2.040 1.00 15.00 H new ATOM 838 N VAL A 58 -2.816 -3.193 -0.136 1.00 15.00 N ATOM 839 CA VAL A 58 -1.926 -3.383 -1.274 1.00 15.00 C ATOM 840 C VAL A 58 -1.767 -4.865 -1.612 1.00 15.00 C ATOM 841 O VAL A 58 -1.232 -5.647 -0.820 1.00 15.00 O ATOM 842 CB VAL A 58 -0.542 -2.726 -1.032 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.685 -1.467 -0.189 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.435 -3.694 -0.382 1.00 15.00 C ATOM 0 H VAL A 58 -2.341 -3.058 0.756 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.386 -2.887 -2.128 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.136 -2.451 -2.006 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.297 -1.022 -0.031 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.328 -0.754 -0.706 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.127 -1.722 0.774 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.393 -3.196 -0.229 1.00 15.00 H new ATOM 0 HG22 VAL A 58 0.038 -4.021 0.579 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.575 -4.559 -1.030 1.00 15.00 H new ATOM 854 N LEU A 59 -2.257 -5.244 -2.789 1.00 15.00 N ATOM 855 CA LEU A 59 -2.183 -6.631 -3.237 1.00 15.00 C ATOM 856 C LEU A 59 -1.152 -6.823 -4.349 1.00 15.00 C ATOM 857 O LEU A 59 -0.771 -7.952 -4.656 1.00 15.00 O ATOM 858 CB LEU A 59 -3.554 -7.110 -3.718 1.00 15.00 C ATOM 859 CG LEU A 59 -4.655 -7.116 -2.655 1.00 15.00 C ATOM 860 CD1 LEU A 59 -5.844 -7.937 -3.129 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.125 -7.660 -1.335 1.00 15.00 C ATOM 0 H LEU A 59 -2.709 -4.611 -3.449 1.00 15.00 H new ATOM 0 HA LEU A 59 -1.866 -7.227 -2.381 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -3.873 -6.475 -4.544 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.449 -8.120 -4.114 1.00 15.00 H new ATOM 0 HG LEU A 59 -4.983 -6.089 -2.495 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -6.619 -7.932 -2.362 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -6.240 -7.506 -4.048 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -5.526 -8.963 -3.317 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -4.923 -7.656 -0.593 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -3.769 -8.680 -1.479 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -3.303 -7.034 -0.987 1.00 15.00 H new ATOM 873 N ALA A 60 -0.719 -5.728 -4.970 1.00 15.00 N ATOM 874 CA ALA A 60 0.246 -5.817 -6.063 1.00 15.00 C ATOM 875 C ALA A 60 1.177 -4.610 -6.114 1.00 15.00 C ATOM 876 O ALA A 60 0.807 -3.501 -5.731 1.00 15.00 O ATOM 877 CB ALA A 60 -0.488 -5.964 -7.388 1.00 15.00 C ATOM 0 H ALA A 60 -1.016 -4.780 -4.739 1.00 15.00 H new ATOM 0 HA ALA A 60 0.865 -6.696 -5.882 1.00 15.00 H new ATOM 0 HB1 ALA A 60 0.236 -6.030 -8.200 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.095 -6.869 -7.369 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.132 -5.098 -7.545 1.00 15.00 H new ATOM 883 N VAL A 61 2.384 -4.846 -6.616 1.00 15.00 N ATOM 884 CA VAL A 61 3.393 -3.803 -6.761 1.00 15.00 C ATOM 885 C VAL A 61 4.104 -3.981 -8.090 1.00 15.00 C ATOM 886 O VAL A 61 4.932 -4.880 -8.243 1.00 15.00 O ATOM 887 CB VAL A 61 4.432 -3.840 -5.626 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.275 -2.575 -5.636 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.751 -4.026 -4.281 1.00 15.00 C ATOM 0 H VAL A 61 2.691 -5.765 -6.934 1.00 15.00 H new ATOM 0 HA VAL A 61 2.885 -2.840 -6.717 1.00 15.00 H new ATOM 0 HB VAL A 61 5.092 -4.692 -5.790 1.00 15.00 H new ATOM 0 HG11 VAL A 61 6.004 -2.617 -4.827 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.795 -2.492 -6.590 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.630 -1.707 -5.498 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.503 -4.049 -3.492 1.00 15.00 H new ATOM 0 HG22 VAL A 61 3.065 -3.198 -4.103 1.00 15.00 H new ATOM 0 HG23 VAL A 61 3.196 -4.964 -4.281 1.00 15.00 H new ATOM 899 N ASN A 62 3.749 -3.154 -9.066 1.00 15.00 N ATOM 900 CA ASN A 62 4.331 -3.265 -10.394 1.00 15.00 C ATOM 901 C ASN A 62 3.920 -4.597 -11.024 1.00 15.00 C ATOM 902 O ASN A 62 4.495 -5.031 -12.023 1.00 15.00 O ATOM 903 CB ASN A 62 5.857 -3.151 -10.331 1.00 15.00 C ATOM 904 CG ASN A 62 6.333 -1.714 -10.425 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.245 -1.399 -11.190 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.717 -0.833 -9.645 1.00 15.00 N ATOM 0 H ASN A 62 3.065 -2.404 -8.962 1.00 15.00 H new ATOM 0 HA ASN A 62 3.959 -2.447 -11.011 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.213 -3.589 -9.399 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.296 -3.730 -11.143 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.995 0.148 -9.665 1.00 15.00 H new ATOM 0 HD22 ASN A 62 4.966 -1.138 -9.026 1.00 15.00 H new ATOM 913 N GLY A 63 2.910 -5.237 -10.426 1.00 15.00 N ATOM 914 CA GLY A 63 2.417 -6.507 -10.923 1.00 15.00 C ATOM 915 C GLY A 63 2.816 -7.688 -10.056 1.00 15.00 C ATOM 916 O GLY A 63 2.563 -8.837 -10.418 1.00 15.00 O ATOM 0 H GLY A 63 2.424 -4.890 -9.599 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.330 -6.466 -10.990 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.793 -6.664 -11.934 1.00 15.00 H new ATOM 920 N VAL A 64 3.431 -7.417 -8.908 1.00 15.00 N ATOM 921 CA VAL A 64 3.844 -8.484 -8.003 1.00 15.00 C ATOM 922 C VAL A 64 2.775 -8.750 -6.943 1.00 15.00 C ATOM 923 O VAL A 64 2.588 -7.962 -6.018 1.00 15.00 O ATOM 924 CB VAL A 64 5.194 -8.167 -7.320 1.00 15.00 C ATOM 925 CG1 VAL A 64 5.040 -7.088 -6.261 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.797 -9.428 -6.721 1.00 15.00 C ATOM 0 H VAL A 64 3.653 -6.475 -8.585 1.00 15.00 H new ATOM 0 HA VAL A 64 3.972 -9.381 -8.609 1.00 15.00 H new ATOM 0 HB VAL A 64 5.873 -7.786 -8.082 1.00 15.00 H new ATOM 0 HG11 VAL A 64 6.008 -6.889 -5.801 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.664 -6.175 -6.723 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.338 -7.424 -5.498 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.747 -9.186 -6.244 1.00 15.00 H new ATOM 0 HG22 VAL A 64 5.114 -9.841 -5.979 1.00 15.00 H new ATOM 0 HG23 VAL A 64 5.963 -10.162 -7.510 1.00 15.00 H new ATOM 936 N SER A 65 2.072 -9.868 -7.087 1.00 15.00 N ATOM 937 CA SER A 65 1.022 -10.237 -6.142 1.00 15.00 C ATOM 938 C SER A 65 1.585 -10.360 -4.732 1.00 15.00 C ATOM 939 O SER A 65 2.537 -11.104 -4.495 1.00 15.00 O ATOM 940 CB SER A 65 0.369 -11.556 -6.560 1.00 15.00 C ATOM 941 OG SER A 65 -0.413 -11.390 -7.731 1.00 15.00 O ATOM 0 H SER A 65 2.209 -10.534 -7.847 1.00 15.00 H new ATOM 0 HA SER A 65 0.267 -9.450 -6.148 1.00 15.00 H new ATOM 0 HB2 SER A 65 1.139 -12.307 -6.737 1.00 15.00 H new ATOM 0 HB3 SER A 65 -0.258 -11.928 -5.750 1.00 15.00 H new ATOM 0 HG SER A 65 -0.818 -12.247 -7.978 1.00 15.00 H new ATOM 947 N LEU A 66 0.996 -9.621 -3.800 1.00 15.00 N ATOM 948 CA LEU A 66 1.445 -9.643 -2.415 1.00 15.00 C ATOM 949 C LEU A 66 0.681 -10.682 -1.596 1.00 15.00 C ATOM 950 O LEU A 66 1.092 -11.031 -0.489 1.00 15.00 O ATOM 951 CB LEU A 66 1.288 -8.260 -1.784 1.00 15.00 C ATOM 952 CG LEU A 66 2.569 -7.680 -1.186 1.00 15.00 C ATOM 953 CD1 LEU A 66 2.487 -6.165 -1.121 1.00 15.00 C ATOM 954 CD2 LEU A 66 2.820 -8.264 0.196 1.00 15.00 C ATOM 0 H LEU A 66 0.207 -9.000 -3.979 1.00 15.00 H new ATOM 0 HA LEU A 66 2.499 -9.921 -2.412 1.00 15.00 H new ATOM 0 HB2 LEU A 66 0.913 -7.571 -2.541 1.00 15.00 H new ATOM 0 HB3 LEU A 66 0.531 -8.317 -1.001 1.00 15.00 H new ATOM 0 HG LEU A 66 3.406 -7.949 -1.830 1.00 15.00 H new ATOM 0 HD11 LEU A 66 3.408 -5.769 -0.693 1.00 15.00 H new ATOM 0 HD12 LEU A 66 2.353 -5.764 -2.126 1.00 15.00 H new ATOM 0 HD13 LEU A 66 1.642 -5.873 -0.498 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.736 -7.841 0.609 1.00 15.00 H new ATOM 0 HD22 LEU A 66 1.982 -8.023 0.850 1.00 15.00 H new ATOM 0 HD23 LEU A 66 2.922 -9.347 0.120 1.00 15.00 H new ATOM 966 N GLU A 67 -0.431 -11.171 -2.140 1.00 15.00 N ATOM 967 CA GLU A 67 -1.248 -12.169 -1.452 1.00 15.00 C ATOM 968 C GLU A 67 -0.381 -13.274 -0.853 1.00 15.00 C ATOM 969 O GLU A 67 0.106 -14.152 -1.566 1.00 15.00 O ATOM 970 CB GLU A 67 -2.267 -12.775 -2.419 1.00 15.00 C ATOM 971 CG GLU A 67 -3.423 -11.844 -2.745 1.00 15.00 C ATOM 972 CD GLU A 67 -4.590 -12.008 -1.791 1.00 15.00 C ATOM 973 OE1 GLU A 67 -4.348 -12.288 -0.599 1.00 15.00 O ATOM 974 OE2 GLU A 67 -5.747 -11.856 -2.237 1.00 15.00 O ATOM 0 H GLU A 67 -0.787 -10.893 -3.054 1.00 15.00 H new ATOM 0 HA GLU A 67 -1.775 -11.669 -0.639 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -1.760 -13.049 -3.344 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.662 -13.695 -1.988 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -3.074 -10.812 -2.712 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -3.762 -12.034 -3.764 1.00 15.00 H new ATOM 981 N GLY A 68 -0.191 -13.221 0.462 1.00 15.00 N ATOM 982 CA GLY A 68 0.618 -14.220 1.137 1.00 15.00 C ATOM 983 C GLY A 68 1.946 -13.665 1.617 1.00 15.00 C ATOM 984 O GLY A 68 3.006 -14.092 1.161 1.00 15.00 O ATOM 0 H GLY A 68 -0.583 -12.504 1.072 1.00 15.00 H new ATOM 0 HA2 GLY A 68 0.065 -14.616 1.988 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.800 -15.054 0.459 1.00 15.00 H new ATOM 988 N ALA A 69 1.886 -12.711 2.541 1.00 15.00 N ATOM 989 CA ALA A 69 3.088 -12.095 3.087 1.00 15.00 C ATOM 990 C ALA A 69 2.748 -11.158 4.243 1.00 15.00 C ATOM 991 O ALA A 69 1.587 -10.813 4.454 1.00 15.00 O ATOM 992 CB ALA A 69 3.835 -11.345 1.994 1.00 15.00 C ATOM 0 H ALA A 69 1.015 -12.348 2.927 1.00 15.00 H new ATOM 0 HA ALA A 69 3.731 -12.885 3.475 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.732 -10.889 2.413 1.00 15.00 H new ATOM 0 HB2 ALA A 69 4.118 -12.040 1.204 1.00 15.00 H new ATOM 0 HB3 ALA A 69 3.192 -10.568 1.581 1.00 15.00 H new ATOM 998 N THR A 70 3.768 -10.752 4.989 1.00 15.00 N ATOM 999 CA THR A 70 3.575 -9.854 6.124 1.00 15.00 C ATOM 1000 C THR A 70 3.762 -8.399 5.706 1.00 15.00 C ATOM 1001 O THR A 70 3.866 -8.088 4.519 1.00 15.00 O ATOM 1002 CB THR A 70 4.555 -10.195 7.252 1.00 15.00 C ATOM 1003 OG1 THR A 70 5.813 -9.576 7.032 1.00 15.00 O ATOM 1004 CG2 THR A 70 4.788 -11.683 7.417 1.00 15.00 C ATOM 0 H THR A 70 4.737 -11.029 4.830 1.00 15.00 H new ATOM 0 HA THR A 70 2.555 -9.987 6.484 1.00 15.00 H new ATOM 0 HB THR A 70 4.088 -9.819 8.162 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.423 -9.805 7.764 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.491 -11.853 8.232 1.00 15.00 H new ATOM 0 HG22 THR A 70 3.843 -12.176 7.644 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.197 -12.092 6.493 1.00 15.00 H new ATOM 1012 N HIS A 71 3.803 -7.515 6.695 1.00 15.00 N ATOM 1013 CA HIS A 71 3.977 -6.089 6.452 1.00 15.00 C ATOM 1014 C HIS A 71 5.338 -5.814 5.820 1.00 15.00 C ATOM 1015 O HIS A 71 5.426 -5.263 4.722 1.00 15.00 O ATOM 1016 CB HIS A 71 3.802 -5.324 7.775 1.00 15.00 C ATOM 1017 CG HIS A 71 4.780 -4.212 8.006 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.495 -4.075 9.176 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.148 -3.177 7.218 1.00 15.00 C ATOM 1020 CE1 HIS A 71 6.260 -3.002 9.099 1.00 15.00 C ATOM 1021 NE2 HIS A 71 6.071 -2.439 7.920 1.00 15.00 N ATOM 0 H HIS A 71 3.717 -7.764 7.681 1.00 15.00 H new ATOM 0 HA HIS A 71 3.220 -5.743 5.748 1.00 15.00 H new ATOM 0 HB2 HIS A 71 2.794 -4.911 7.806 1.00 15.00 H new ATOM 0 HB3 HIS A 71 3.882 -6.033 8.599 1.00 15.00 H new ATOM 0 HD1 HIS A 71 5.441 -4.705 9.977 1.00 15.00 H new ATOM 0 HD2 HIS A 71 4.785 -2.969 6.223 1.00 15.00 H new ATOM 0 HE1 HIS A 71 6.927 -2.645 9.870 1.00 15.00 H new ATOM 1030 N LYS A 72 6.395 -6.212 6.515 1.00 15.00 N ATOM 1031 CA LYS A 72 7.756 -6.023 6.021 1.00 15.00 C ATOM 1032 C LYS A 72 7.906 -6.592 4.617 1.00 15.00 C ATOM 1033 O LYS A 72 8.621 -6.033 3.788 1.00 15.00 O ATOM 1034 CB LYS A 72 8.756 -6.685 6.968 1.00 15.00 C ATOM 1035 CG LYS A 72 10.200 -6.291 6.704 1.00 15.00 C ATOM 1036 CD LYS A 72 11.170 -7.273 7.340 1.00 15.00 C ATOM 1037 CE LYS A 72 11.010 -7.313 8.851 1.00 15.00 C ATOM 1038 NZ LYS A 72 11.684 -8.498 9.451 1.00 15.00 N ATOM 0 H LYS A 72 6.338 -6.669 7.425 1.00 15.00 H new ATOM 0 HA LYS A 72 7.961 -4.953 5.980 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.499 -6.423 7.994 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.662 -7.768 6.882 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.376 -6.248 5.629 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.383 -5.291 7.097 1.00 15.00 H new ATOM 0 HD2 LYS A 72 11.004 -8.269 6.929 1.00 15.00 H new ATOM 0 HD3 LYS A 72 12.192 -6.991 7.088 1.00 15.00 H new ATOM 0 HE2 LYS A 72 11.424 -6.402 9.284 1.00 15.00 H new ATOM 0 HE3 LYS A 72 9.950 -7.332 9.103 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 11.551 -8.488 10.482 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 11.272 -9.368 9.057 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 12.700 -8.467 9.233 1.00 15.00 H new ATOM 1052 N GLN A 73 7.217 -7.697 4.346 1.00 15.00 N ATOM 1053 CA GLN A 73 7.278 -8.314 3.027 1.00 15.00 C ATOM 1054 C GLN A 73 6.806 -7.321 1.981 1.00 15.00 C ATOM 1055 O GLN A 73 7.456 -7.121 0.955 1.00 15.00 O ATOM 1056 CB GLN A 73 6.416 -9.574 2.981 1.00 15.00 C ATOM 1057 CG GLN A 73 7.017 -10.739 3.742 1.00 15.00 C ATOM 1058 CD GLN A 73 6.820 -12.065 3.035 1.00 15.00 C ATOM 1059 OE1 GLN A 73 5.959 -12.861 3.411 1.00 15.00 O ATOM 1060 NE2 GLN A 73 7.620 -12.310 2.003 1.00 15.00 N ATOM 0 H GLN A 73 6.616 -8.179 5.015 1.00 15.00 H new ATOM 0 HA GLN A 73 8.309 -8.598 2.818 1.00 15.00 H new ATOM 0 HB2 GLN A 73 5.432 -9.348 3.393 1.00 15.00 H new ATOM 0 HB3 GLN A 73 6.267 -9.866 1.942 1.00 15.00 H new ATOM 0 HG2 GLN A 73 8.083 -10.563 3.884 1.00 15.00 H new ATOM 0 HG3 GLN A 73 6.567 -10.790 4.734 1.00 15.00 H new ATOM 0 HE21 GLN A 73 8.320 -11.622 1.726 1.00 15.00 H new ATOM 0 HE22 GLN A 73 7.534 -13.186 1.488 1.00 15.00 H new ATOM 1069 N ALA A 74 5.683 -6.677 2.268 1.00 15.00 N ATOM 1070 CA ALA A 74 5.138 -5.674 1.367 1.00 15.00 C ATOM 1071 C ALA A 74 6.066 -4.474 1.315 1.00 15.00 C ATOM 1072 O ALA A 74 6.419 -3.993 0.240 1.00 15.00 O ATOM 1073 CB ALA A 74 3.759 -5.241 1.809 1.00 15.00 C ATOM 0 H ALA A 74 5.135 -6.831 3.114 1.00 15.00 H new ATOM 0 HA ALA A 74 5.054 -6.113 0.373 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.374 -4.491 1.118 1.00 15.00 H new ATOM 0 HB2 ALA A 74 3.092 -6.103 1.817 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.815 -4.817 2.811 1.00 15.00 H new ATOM 1079 N VAL A 75 6.477 -4.009 2.496 1.00 15.00 N ATOM 1080 CA VAL A 75 7.395 -2.881 2.604 1.00 15.00 C ATOM 1081 C VAL A 75 8.482 -3.020 1.553 1.00 15.00 C ATOM 1082 O VAL A 75 8.862 -2.058 0.887 1.00 15.00 O ATOM 1083 CB VAL A 75 8.023 -2.830 4.020 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.536 -3.016 3.984 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.662 -1.539 4.729 1.00 15.00 C ATOM 0 H VAL A 75 6.186 -4.400 3.392 1.00 15.00 H new ATOM 0 HA VAL A 75 6.847 -1.953 2.440 1.00 15.00 H new ATOM 0 HB VAL A 75 7.605 -3.665 4.583 1.00 15.00 H new ATOM 0 HG11 VAL A 75 9.932 -2.973 4.999 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.773 -3.984 3.543 1.00 15.00 H new ATOM 0 HG13 VAL A 75 9.986 -2.224 3.385 1.00 15.00 H new ATOM 0 HG21 VAL A 75 8.115 -1.529 5.720 1.00 15.00 H new ATOM 0 HG22 VAL A 75 8.032 -0.691 4.152 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.579 -1.467 4.825 1.00 15.00 H new ATOM 1095 N GLU A 76 8.955 -4.248 1.407 1.00 15.00 N ATOM 1096 CA GLU A 76 9.981 -4.562 0.433 1.00 15.00 C ATOM 1097 C GLU A 76 9.447 -4.405 -0.991 1.00 15.00 C ATOM 1098 O GLU A 76 10.124 -3.843 -1.847 1.00 15.00 O ATOM 1099 CB GLU A 76 10.498 -5.985 0.653 1.00 15.00 C ATOM 1100 CG GLU A 76 11.052 -6.218 2.051 1.00 15.00 C ATOM 1101 CD GLU A 76 11.035 -7.681 2.449 1.00 15.00 C ATOM 1102 OE1 GLU A 76 11.674 -8.495 1.749 1.00 15.00 O ATOM 1103 OE2 GLU A 76 10.382 -8.014 3.460 1.00 15.00 O ATOM 0 H GLU A 76 8.640 -5.047 1.957 1.00 15.00 H new ATOM 0 HA GLU A 76 10.806 -3.862 0.565 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.688 -6.690 0.469 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.278 -6.197 -0.079 1.00 15.00 H new ATOM 0 HG2 GLU A 76 12.075 -5.844 2.099 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.468 -5.643 2.770 1.00 15.00 H new ATOM 1110 N THR A 77 8.232 -4.901 -1.247 1.00 15.00 N ATOM 1111 CA THR A 77 7.644 -4.794 -2.583 1.00 15.00 C ATOM 1112 C THR A 77 7.394 -3.340 -2.972 1.00 15.00 C ATOM 1113 O THR A 77 7.882 -2.875 -4.002 1.00 15.00 O ATOM 1114 CB THR A 77 6.345 -5.589 -2.684 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.560 -5.426 -1.520 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.564 -7.072 -2.891 1.00 15.00 C ATOM 0 H THR A 77 7.646 -5.373 -0.558 1.00 15.00 H new ATOM 0 HA THR A 77 8.367 -5.217 -3.281 1.00 15.00 H new ATOM 0 HB THR A 77 5.833 -5.189 -3.559 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.795 -4.581 -1.083 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.600 -7.577 -2.954 1.00 15.00 H new ATOM 0 HG22 THR A 77 7.119 -7.232 -3.815 1.00 15.00 H new ATOM 0 HG23 THR A 77 7.131 -7.477 -2.053 1.00 15.00 H new ATOM 1124 N LEU A 78 6.630 -2.623 -2.146 1.00 15.00 N ATOM 1125 CA LEU A 78 6.320 -1.220 -2.423 1.00 15.00 C ATOM 1126 C LEU A 78 7.604 -0.442 -2.655 1.00 15.00 C ATOM 1127 O LEU A 78 7.715 0.337 -3.602 1.00 15.00 O ATOM 1128 CB LEU A 78 5.545 -0.585 -1.263 1.00 15.00 C ATOM 1129 CG LEU A 78 4.543 -1.498 -0.555 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.777 -0.723 0.506 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.584 -2.122 -1.560 1.00 15.00 C ATOM 0 H LEU A 78 6.218 -2.987 -1.287 1.00 15.00 H new ATOM 0 HA LEU A 78 5.698 -1.183 -3.318 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.262 -0.223 -0.526 1.00 15.00 H new ATOM 0 HB3 LEU A 78 5.010 0.286 -1.642 1.00 15.00 H new ATOM 0 HG LEU A 78 5.094 -2.301 -0.065 1.00 15.00 H new ATOM 0 HD11 LEU A 78 3.068 -1.387 1.001 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.476 -0.325 1.242 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.237 0.100 0.037 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.879 -2.768 -1.037 1.00 15.00 H new ATOM 0 HD22 LEU A 78 3.038 -1.334 -2.079 1.00 15.00 H new ATOM 0 HD23 LEU A 78 4.148 -2.711 -2.284 1.00 15.00 H new ATOM 1143 N ARG A 79 8.575 -0.675 -1.787 1.00 15.00 N ATOM 1144 CA ARG A 79 9.865 -0.018 -1.886 1.00 15.00 C ATOM 1145 C ARG A 79 10.617 -0.514 -3.119 1.00 15.00 C ATOM 1146 O ARG A 79 10.983 0.270 -3.994 1.00 15.00 O ATOM 1147 CB ARG A 79 10.678 -0.288 -0.620 1.00 15.00 C ATOM 1148 CG ARG A 79 11.766 0.743 -0.362 1.00 15.00 C ATOM 1149 CD ARG A 79 13.153 0.151 -0.552 1.00 15.00 C ATOM 1150 NE ARG A 79 14.104 0.660 0.433 1.00 15.00 N ATOM 1151 CZ ARG A 79 15.358 0.229 0.543 1.00 15.00 C ATOM 1152 NH1 ARG A 79 15.815 -0.718 -0.267 1.00 15.00 N ATOM 1153 NH2 ARG A 79 16.157 0.745 1.467 1.00 15.00 N ATOM 0 H ARG A 79 8.491 -1.319 -1.001 1.00 15.00 H new ATOM 0 HA ARG A 79 9.713 1.057 -1.986 1.00 15.00 H new ATOM 0 HB2 ARG A 79 10.004 -0.314 0.236 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.135 -1.275 -0.696 1.00 15.00 H new ATOM 0 HG2 ARG A 79 11.635 1.588 -1.037 1.00 15.00 H new ATOM 0 HG3 ARG A 79 11.670 1.128 0.653 1.00 15.00 H new ATOM 0 HD2 ARG A 79 13.098 -0.935 -0.475 1.00 15.00 H new ATOM 0 HD3 ARG A 79 13.511 0.382 -1.555 1.00 15.00 H new ATOM 0 HE ARG A 79 13.788 1.388 1.074 1.00 15.00 H new ATOM 0 HH11 ARG A 79 15.204 -1.119 -0.978 1.00 15.00 H new ATOM 0 HH12 ARG A 79 16.777 -1.045 -0.178 1.00 15.00 H new ATOM 0 HH21 ARG A 79 15.810 1.472 2.093 1.00 15.00 H new ATOM 0 HH22 ARG A 79 17.118 0.415 1.552 1.00 15.00 H new ATOM 1167 N ASN A 80 10.842 -1.824 -3.173 1.00 15.00 N ATOM 1168 CA ASN A 80 11.546 -2.453 -4.289 1.00 15.00 C ATOM 1169 C ASN A 80 10.757 -2.358 -5.598 1.00 15.00 C ATOM 1170 O ASN A 80 10.448 -3.378 -6.214 1.00 15.00 O ATOM 1171 CB ASN A 80 11.829 -3.922 -3.968 1.00 15.00 C ATOM 1172 CG ASN A 80 12.682 -4.088 -2.725 1.00 15.00 C ATOM 1173 OD1 ASN A 80 13.103 -3.107 -2.112 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.941 -5.334 -2.347 1.00 15.00 N ATOM 0 H ASN A 80 10.544 -2.477 -2.449 1.00 15.00 H new ATOM 0 HA ASN A 80 12.483 -1.913 -4.426 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.885 -4.449 -3.831 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.333 -4.386 -4.816 1.00 15.00 H new ATOM 0 HD21 ASN A 80 13.510 -5.508 -1.518 1.00 15.00 H new ATOM 0 HD22 ASN A 80 12.571 -6.118 -2.885 1.00 15.00 H new ATOM 1181 N THR A 81 10.444 -1.142 -6.034 1.00 15.00 N ATOM 1182 CA THR A 81 9.708 -0.955 -7.280 1.00 15.00 C ATOM 1183 C THR A 81 10.676 -0.687 -8.430 1.00 15.00 C ATOM 1184 O THR A 81 10.903 -1.552 -9.276 1.00 15.00 O ATOM 1185 CB THR A 81 8.699 0.189 -7.151 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.894 0.899 -5.941 1.00 15.00 O ATOM 1187 CG2 THR A 81 7.259 -0.279 -7.182 1.00 15.00 C ATOM 0 H THR A 81 10.686 -0.278 -5.548 1.00 15.00 H new ATOM 0 HA THR A 81 9.156 -1.870 -7.493 1.00 15.00 H new ATOM 0 HB THR A 81 8.877 0.829 -8.015 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.290 0.547 -5.254 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.595 0.580 -7.086 1.00 15.00 H new ATOM 0 HG22 THR A 81 7.062 -0.787 -8.126 1.00 15.00 H new ATOM 0 HG23 THR A 81 7.082 -0.968 -6.356 1.00 15.00 H new ATOM 1195 N GLY A 82 11.257 0.509 -8.446 1.00 15.00 N ATOM 1196 CA GLY A 82 12.206 0.857 -9.484 1.00 15.00 C ATOM 1197 C GLY A 82 11.808 2.089 -10.273 1.00 15.00 C ATOM 1198 O GLY A 82 11.971 3.217 -9.807 1.00 15.00 O ATOM 0 H GLY A 82 11.086 1.242 -7.758 1.00 15.00 H new ATOM 0 HA2 GLY A 82 13.183 1.024 -9.032 1.00 15.00 H new ATOM 0 HA3 GLY A 82 12.311 0.015 -10.168 1.00 15.00 H new ATOM 1202 N GLN A 83 11.306 1.867 -11.480 1.00 15.00 N ATOM 1203 CA GLN A 83 10.902 2.960 -12.363 1.00 15.00 C ATOM 1204 C GLN A 83 9.731 3.760 -11.790 1.00 15.00 C ATOM 1205 O GLN A 83 9.930 4.798 -11.159 1.00 15.00 O ATOM 1206 CB GLN A 83 10.548 2.430 -13.760 1.00 15.00 C ATOM 1207 CG GLN A 83 9.918 1.043 -13.761 1.00 15.00 C ATOM 1208 CD GLN A 83 8.788 0.918 -14.764 1.00 15.00 C ATOM 1209 OE1 GLN A 83 8.094 1.891 -15.060 1.00 15.00 O ATOM 1210 NE2 GLN A 83 8.596 -0.286 -15.291 1.00 15.00 N ATOM 0 H GLN A 83 11.167 0.937 -11.874 1.00 15.00 H new ATOM 0 HA GLN A 83 11.754 3.635 -12.444 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.862 3.129 -14.238 1.00 15.00 H new ATOM 0 HB3 GLN A 83 11.453 2.406 -14.367 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.683 0.300 -13.987 1.00 15.00 H new ATOM 0 HG3 GLN A 83 9.540 0.819 -12.763 1.00 15.00 H new ATOM 0 HE21 GLN A 83 9.195 -1.064 -15.017 1.00 15.00 H new ATOM 0 HE22 GLN A 83 7.849 -0.432 -15.970 1.00 15.00 H new ATOM 1219 N VAL A 84 8.512 3.282 -12.025 1.00 15.00 N ATOM 1220 CA VAL A 84 7.314 3.962 -11.544 1.00 15.00 C ATOM 1221 C VAL A 84 6.650 3.170 -10.420 1.00 15.00 C ATOM 1222 O VAL A 84 6.866 1.965 -10.281 1.00 15.00 O ATOM 1223 CB VAL A 84 6.305 4.182 -12.694 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.981 4.725 -12.174 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.892 5.121 -13.735 1.00 15.00 C ATOM 0 H VAL A 84 8.328 2.425 -12.547 1.00 15.00 H new ATOM 0 HA VAL A 84 7.621 4.933 -11.155 1.00 15.00 H new ATOM 0 HB VAL A 84 6.108 3.216 -13.159 1.00 15.00 H new ATOM 0 HG11 VAL A 84 4.294 4.868 -13.008 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.550 4.017 -11.466 1.00 15.00 H new ATOM 0 HG13 VAL A 84 5.150 5.679 -11.675 1.00 15.00 H new ATOM 0 HG21 VAL A 84 6.172 5.268 -14.540 1.00 15.00 H new ATOM 0 HG22 VAL A 84 7.120 6.081 -13.272 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.806 4.688 -14.141 1.00 15.00 H new ATOM 1235 N VAL A 85 5.839 3.852 -9.623 1.00 15.00 N ATOM 1236 CA VAL A 85 5.148 3.216 -8.517 1.00 15.00 C ATOM 1237 C VAL A 85 3.717 2.856 -8.913 1.00 15.00 C ATOM 1238 O VAL A 85 2.767 3.568 -8.589 1.00 15.00 O ATOM 1239 CB VAL A 85 5.150 4.141 -7.278 1.00 15.00 C ATOM 1240 CG1 VAL A 85 4.062 3.762 -6.284 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.518 4.124 -6.611 1.00 15.00 C ATOM 0 H VAL A 85 5.645 4.848 -9.725 1.00 15.00 H new ATOM 0 HA VAL A 85 5.675 2.296 -8.264 1.00 15.00 H new ATOM 0 HB VAL A 85 4.935 5.153 -7.620 1.00 15.00 H new ATOM 0 HG11 VAL A 85 4.099 4.437 -5.429 1.00 15.00 H new ATOM 0 HG12 VAL A 85 3.087 3.839 -6.765 1.00 15.00 H new ATOM 0 HG13 VAL A 85 4.220 2.738 -5.945 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.506 4.779 -5.740 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.757 3.108 -6.297 1.00 15.00 H new ATOM 0 HG23 VAL A 85 7.271 4.473 -7.317 1.00 15.00 H new ATOM 1251 N HIS A 86 3.577 1.736 -9.617 1.00 15.00 N ATOM 1252 CA HIS A 86 2.270 1.263 -10.057 1.00 15.00 C ATOM 1253 C HIS A 86 1.770 0.169 -9.124 1.00 15.00 C ATOM 1254 O HIS A 86 1.999 -1.017 -9.359 1.00 15.00 O ATOM 1255 CB HIS A 86 2.347 0.737 -11.492 1.00 15.00 C ATOM 1256 CG HIS A 86 1.035 0.768 -12.213 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.122 1.269 -11.653 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.700 0.356 -13.459 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.111 1.163 -12.523 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -0.639 0.614 -13.626 1.00 15.00 N ATOM 0 H HIS A 86 4.356 1.138 -9.895 1.00 15.00 H new ATOM 0 HA HIS A 86 1.570 2.098 -10.031 1.00 15.00 H new ATOM 0 HB2 HIS A 86 3.072 1.330 -12.049 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.719 -0.288 -11.475 1.00 15.00 H new ATOM 0 HD2 HIS A 86 1.362 -0.092 -14.186 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.132 1.473 -12.359 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -1.181 0.414 -14.467 1.00 15.00 H new ATOM 1269 N LEU A 87 1.105 0.580 -8.052 1.00 15.00 N ATOM 1270 CA LEU A 87 0.592 -0.358 -7.064 1.00 15.00 C ATOM 1271 C LEU A 87 -0.913 -0.557 -7.194 1.00 15.00 C ATOM 1272 O LEU A 87 -1.685 0.388 -7.065 1.00 15.00 O ATOM 1273 CB LEU A 87 0.921 0.141 -5.657 1.00 15.00 C ATOM 1274 CG LEU A 87 1.873 -0.750 -4.867 1.00 15.00 C ATOM 1275 CD1 LEU A 87 2.967 0.079 -4.210 1.00 15.00 C ATOM 1276 CD2 LEU A 87 1.103 -1.544 -3.826 1.00 15.00 C ATOM 0 H LEU A 87 0.908 1.559 -7.845 1.00 15.00 H new ATOM 0 HA LEU A 87 1.073 -1.320 -7.243 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.357 1.137 -5.733 1.00 15.00 H new ATOM 0 HB3 LEU A 87 -0.008 0.242 -5.096 1.00 15.00 H new ATOM 0 HG LEU A 87 2.348 -1.448 -5.556 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.635 -0.577 -3.652 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.534 0.606 -4.977 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.517 0.802 -3.530 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.793 -2.177 -3.268 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.604 -0.858 -3.141 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.359 -2.167 -4.321 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.325 -1.798 -7.420 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.741 -2.122 -7.531 1.00 15.00 C ATOM 1290 C LEU A 88 -3.247 -2.644 -6.194 1.00 15.00 C ATOM 1291 O LEU A 88 -3.004 -3.795 -5.833 1.00 15.00 O ATOM 1292 CB LEU A 88 -2.968 -3.160 -8.633 1.00 15.00 C ATOM 1293 CG LEU A 88 -3.096 -2.588 -10.047 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.068 -1.488 -10.279 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -2.940 -3.690 -11.084 1.00 15.00 C ATOM 0 H LEU A 88 -0.699 -2.596 -7.530 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.295 -1.221 -7.796 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.141 -3.870 -8.618 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -3.873 -3.721 -8.401 1.00 15.00 H new ATOM 0 HG LEU A 88 -4.090 -2.154 -10.151 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -2.177 -1.096 -11.290 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -2.226 -0.685 -9.559 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.065 -1.895 -10.154 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -3.034 -3.265 -12.083 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -1.959 -4.154 -10.977 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -3.715 -4.442 -10.935 1.00 15.00 H new ATOM 1307 N LEU A 89 -3.928 -1.782 -5.450 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.439 -2.153 -4.138 1.00 15.00 C ATOM 1309 C LEU A 89 -5.944 -2.373 -4.155 1.00 15.00 C ATOM 1310 O LEU A 89 -6.557 -2.539 -5.208 1.00 15.00 O ATOM 1311 CB LEU A 89 -4.111 -1.076 -3.099 1.00 15.00 C ATOM 1312 CG LEU A 89 -3.115 -0.016 -3.535 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -3.222 1.195 -2.629 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.711 -0.581 -3.513 1.00 15.00 C ATOM 0 H LEU A 89 -4.138 -0.825 -5.732 1.00 15.00 H new ATOM 0 HA LEU A 89 -3.950 -3.089 -3.869 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -5.038 -0.580 -2.813 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.723 -1.566 -2.206 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.343 0.293 -4.555 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.505 1.952 -2.947 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -4.231 1.604 -2.686 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -3.007 0.901 -1.602 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -1.005 0.187 -3.827 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.466 -0.908 -2.502 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.650 -1.430 -4.193 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.525 -2.345 -2.962 1.00 15.00 N ATOM 1327 CA GLU A 90 -7.957 -2.512 -2.788 1.00 15.00 C ATOM 1328 C GLU A 90 -8.443 -1.583 -1.680 1.00 15.00 C ATOM 1329 O GLU A 90 -7.795 -1.454 -0.641 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.294 -3.976 -2.470 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.232 -4.168 -1.285 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.709 -5.600 -1.144 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -8.895 -6.461 -0.751 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -10.897 -5.861 -1.428 1.00 15.00 O ATOM 0 H GLU A 90 -6.014 -2.206 -2.090 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.467 -2.251 -3.715 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.746 -4.431 -3.352 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.367 -4.514 -2.273 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -8.721 -3.867 -0.370 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.095 -3.511 -1.399 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.576 -0.930 -1.909 1.00 15.00 N ATOM 1342 CA LYS A 91 -10.132 -0.006 -0.927 1.00 15.00 C ATOM 1343 C LYS A 91 -10.127 -0.620 0.470 1.00 15.00 C ATOM 1344 O LYS A 91 -10.936 -1.494 0.782 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.550 0.394 -1.325 1.00 15.00 C ATOM 1346 CG LYS A 91 -12.076 1.596 -0.558 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.326 2.866 -0.927 1.00 15.00 C ATOM 1348 CE LYS A 91 -11.567 3.258 -2.376 1.00 15.00 C ATOM 1349 NZ LYS A 91 -12.192 4.604 -2.491 1.00 15.00 N ATOM 0 H LYS A 91 -10.126 -1.022 -2.763 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.505 0.885 -0.906 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.571 0.616 -2.392 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.218 -0.452 -1.162 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -13.138 1.726 -0.767 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -11.982 1.415 0.513 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -11.641 3.679 -0.272 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -10.259 2.720 -0.762 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -10.620 3.250 -2.916 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -12.211 2.517 -2.850 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -12.340 4.834 -3.495 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -13.107 4.605 -1.997 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -11.566 5.315 -2.062 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.198 -0.158 1.300 1.00 15.00 N ATOM 1364 CA GLY A 92 -9.081 -0.669 2.653 1.00 15.00 C ATOM 1365 C GLY A 92 -10.235 -0.249 3.543 1.00 15.00 C ATOM 1366 O GLY A 92 -11.289 0.158 3.055 1.00 15.00 O ATOM 0 H GLY A 92 -8.521 0.565 1.058 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -9.030 -1.757 2.622 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.146 -0.318 3.089 1.00 15.00 H new ATOM 1370 N GLN A 93 -10.032 -0.352 4.853 1.00 15.00 N ATOM 1371 CA GLN A 93 -11.060 0.017 5.819 1.00 15.00 C ATOM 1372 C GLN A 93 -11.163 1.532 5.951 1.00 15.00 C ATOM 1373 O GLN A 93 -10.195 2.201 6.316 1.00 15.00 O ATOM 1374 CB GLN A 93 -10.752 -0.606 7.182 1.00 15.00 C ATOM 1375 CG GLN A 93 -11.983 -1.129 7.906 1.00 15.00 C ATOM 1376 CD GLN A 93 -11.632 -1.944 9.136 1.00 15.00 C ATOM 1377 OE1 GLN A 93 -10.763 -2.816 9.090 1.00 15.00 O ATOM 1378 NE2 GLN A 93 -12.307 -1.665 10.244 1.00 15.00 N ATOM 0 H GLN A 93 -9.164 -0.688 5.270 1.00 15.00 H new ATOM 0 HA GLN A 93 -12.016 -0.363 5.460 1.00 15.00 H new ATOM 0 HB2 GLN A 93 -10.046 -1.425 7.046 1.00 15.00 H new ATOM 0 HB3 GLN A 93 -10.261 0.138 7.809 1.00 15.00 H new ATOM 0 HG2 GLN A 93 -12.613 -0.289 8.199 1.00 15.00 H new ATOM 0 HG3 GLN A 93 -12.569 -1.743 7.222 1.00 15.00 H new ATOM 0 HE21 GLN A 93 -13.019 -0.934 10.237 1.00 15.00 H new ATOM 0 HE22 GLN A 93 -12.114 -2.181 11.102 1.00 15.00 H new ATOM 1387 N SER A 94 -12.341 2.069 5.653 1.00 15.00 N ATOM 1388 CA SER A 94 -12.571 3.506 5.738 1.00 15.00 C ATOM 1389 C SER A 94 -13.029 3.900 7.141 1.00 15.00 C ATOM 1390 O SER A 94 -13.740 3.146 7.804 1.00 15.00 O ATOM 1391 CB SER A 94 -13.615 3.938 4.707 1.00 15.00 C ATOM 1392 OG SER A 94 -13.000 4.331 3.493 1.00 15.00 O ATOM 0 H SER A 94 -13.152 1.530 5.350 1.00 15.00 H new ATOM 0 HA SER A 94 -11.630 4.014 5.526 1.00 15.00 H new ATOM 0 HB2 SER A 94 -14.306 3.117 4.519 1.00 15.00 H new ATOM 0 HB3 SER A 94 -14.203 4.765 5.105 1.00 15.00 H new ATOM 0 HG SER A 94 -13.688 4.601 2.850 1.00 15.00 H new ATOM 1398 N PRO A 95 -12.625 5.092 7.613 1.00 15.00 N ATOM 1399 CA PRO A 95 -13.000 5.581 8.944 1.00 15.00 C ATOM 1400 C PRO A 95 -14.505 5.529 9.177 1.00 15.00 C ATOM 1401 O PRO A 95 -15.257 5.037 8.336 1.00 15.00 O ATOM 1402 CB PRO A 95 -12.509 7.031 8.943 1.00 15.00 C ATOM 1403 CG PRO A 95 -11.401 7.055 7.948 1.00 15.00 C ATOM 1404 CD PRO A 95 -11.775 6.056 6.888 1.00 15.00 C ATOM 0 HA PRO A 95 -12.568 4.972 9.738 1.00 15.00 H new ATOM 0 HB2 PRO A 95 -13.307 7.719 8.664 1.00 15.00 H new ATOM 0 HB3 PRO A 95 -12.160 7.332 9.931 1.00 15.00 H new ATOM 0 HG2 PRO A 95 -11.281 8.051 7.521 1.00 15.00 H new ATOM 0 HG3 PRO A 95 -10.452 6.792 8.415 1.00 15.00 H new ATOM 0 HD2 PRO A 95 -12.313 6.526 6.064 1.00 15.00 H new ATOM 0 HD3 PRO A 95 -10.895 5.575 6.461 1.00 15.00 H new ATOM 1412 N THR A 96 -14.939 6.040 10.324 1.00 15.00 N ATOM 1413 CA THR A 96 -16.357 6.052 10.668 1.00 15.00 C ATOM 1414 C THR A 96 -17.034 7.311 10.137 1.00 15.00 C ATOM 1415 O THR A 96 -18.279 7.314 10.035 1.00 15.00 O ATOM 1416 CB THR A 96 -16.536 5.963 12.184 1.00 15.00 C ATOM 1417 OG1 THR A 96 -15.950 7.082 12.825 1.00 15.00 O ATOM 1418 CG2 THR A 96 -15.925 4.717 12.788 1.00 15.00 C ATOM 1419 OXT THR A 96 -16.314 8.283 9.828 1.00 15.00 O ATOM 0 H THR A 96 -14.330 6.451 11.031 1.00 15.00 H new ATOM 0 HA THR A 96 -16.826 5.185 10.203 1.00 15.00 H new ATOM 0 HB THR A 96 -17.614 5.934 12.345 1.00 15.00 H new ATOM 0 HG1 THR A 96 -16.077 7.007 13.794 1.00 15.00 H new ATOM 0 HG21 THR A 96 -16.088 4.717 13.866 1.00 15.00 H new ATOM 0 HG22 THR A 96 -16.392 3.834 12.351 1.00 15.00 H new ATOM 0 HG23 THR A 96 -14.855 4.701 12.583 1.00 15.00 H new TER 1427 THR A 96