USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 CYS SG : rot 9:sc= -7.45! USER MOD Set 1.2: A 74 GLN :FLIP amide:sc= -0.0562 F(o=-8.9,f=-7.5) USER MOD Set 2.1: A 50 ASN : amide:sc= 0.168 K(o=0.86,f=-7!) USER MOD Set 2.2: A 53 LYS NZ :NH3+ -172:sc= 0.689 (180deg=0) USER MOD Single : A 37 CYS SG : rot 30:sc= 0.1 USER MOD Single : A 39 SER OG : rot 45:sc= 0.0696 USER MOD Single : A 40 GLN : amide:sc= -2.36! C(o=-2.4!,f=-6.3!) USER MOD Single : A 45 ASN :FLIP amide:sc= 1.31 F(o=-0.69,f=1.3) USER MOD Single : A 52 LYS NZ :NH3+ -168:sc= 1.31 (180deg=1.13) USER MOD Single : A 60 GLN :FLIP amide:sc=-0.00288 F(o=-1,f=-0.0029) USER MOD Single : A 61 CYS SG : rot 51:sc= -0.86 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -7.28! C(o=-7.3!,f=-8.1!) USER MOD Single : A 71 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.48) USER MOD Single : A 80 SER OG : rot -177:sc= 0.705 USER MOD Single : A 84 GLN : amide:sc= -9.41! C(o=-9.4!,f=-12!) USER MOD Single : A 87 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0147) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0.24 X(o=0.24,f=-0.01) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.869 K(o=-0.87,f=-3.1!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 165:sc= 1.25 (180deg=0.712) USER MOD Single : A 109 ASN : amide:sc= -4.65 K(o=-4.7,f=-9.7!) USER MOD Single : A 115 LYS NZ :NH3+ 142:sc= 1.25 (180deg=0.612) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.529 USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 36 2.206 6.912 -4.575 1.00 0.00 N ATOM 31 CA GLU A 36 3.422 6.131 -4.773 1.00 0.00 C ATOM 32 C GLU A 36 3.200 4.662 -4.420 1.00 0.00 C ATOM 33 O GLU A 36 3.023 4.324 -3.256 1.00 0.00 O ATOM 34 CB GLU A 36 4.539 6.724 -3.922 1.00 0.00 C ATOM 35 CG GLU A 36 4.842 8.166 -4.287 1.00 0.00 C ATOM 36 CD GLU A 36 5.944 8.769 -3.450 1.00 0.00 C ATOM 37 OE1 GLU A 36 5.672 9.165 -2.302 1.00 0.00 O ATOM 38 OE2 GLU A 36 7.088 8.858 -3.944 1.00 0.00 O ATOM 0 HA GLU A 36 3.702 6.174 -5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.258 6.670 -2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.441 6.124 -4.043 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.123 8.217 -5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.937 8.762 -4.170 1.00 0.00 H new ATOM 45 N CYS A 37 3.215 3.801 -5.428 1.00 0.00 N ATOM 46 CA CYS A 37 2.919 2.386 -5.236 1.00 0.00 C ATOM 47 C CYS A 37 4.159 1.591 -4.839 1.00 0.00 C ATOM 48 O CYS A 37 5.265 1.859 -5.313 1.00 0.00 O ATOM 49 CB CYS A 37 2.323 1.806 -6.521 1.00 0.00 C ATOM 50 SG CYS A 37 3.341 2.079 -7.990 1.00 0.00 S ATOM 0 H CYS A 37 3.430 4.058 -6.391 1.00 0.00 H new ATOM 0 HA CYS A 37 2.200 2.305 -4.420 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.173 0.734 -6.389 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.340 2.247 -6.685 1.00 0.00 H new ATOM 0 HG CYS A 37 4.594 2.127 -7.647 1.00 0.00 H new ATOM 56 N VAL A 38 3.959 0.622 -3.961 1.00 0.00 N ATOM 57 CA VAL A 38 5.007 -0.304 -3.557 1.00 0.00 C ATOM 58 C VAL A 38 4.429 -1.721 -3.486 1.00 0.00 C ATOM 59 O VAL A 38 3.275 -1.905 -3.092 1.00 0.00 O ATOM 60 CB VAL A 38 5.613 0.095 -2.188 1.00 0.00 C ATOM 61 CG1 VAL A 38 4.533 0.160 -1.119 1.00 0.00 C ATOM 62 CG2 VAL A 38 6.724 -0.864 -1.788 1.00 0.00 C ATOM 0 H VAL A 38 3.062 0.454 -3.506 1.00 0.00 H new ATOM 0 HA VAL A 38 5.807 -0.269 -4.296 1.00 0.00 H new ATOM 0 HB VAL A 38 6.049 1.089 -2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.981 0.442 -0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.785 0.901 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.058 -0.816 -1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.134 -0.564 -0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.323 -1.875 -1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.512 -0.842 -2.540 1.00 0.00 H new ATOM 72 N SER A 39 5.211 -2.717 -3.880 1.00 0.00 N ATOM 73 CA SER A 39 4.725 -4.086 -3.926 1.00 0.00 C ATOM 74 C SER A 39 5.169 -4.882 -2.697 1.00 0.00 C ATOM 75 O SER A 39 6.358 -5.139 -2.498 1.00 0.00 O ATOM 76 CB SER A 39 5.211 -4.758 -5.215 1.00 0.00 C ATOM 77 OG SER A 39 6.596 -4.521 -5.425 1.00 0.00 O ATOM 0 H SER A 39 6.182 -2.602 -4.171 1.00 0.00 H new ATOM 0 HA SER A 39 3.635 -4.067 -3.919 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.027 -5.831 -5.161 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.641 -4.379 -6.063 1.00 0.00 H new ATOM 0 HG SER A 39 7.082 -4.652 -4.584 1.00 0.00 H new ATOM 83 N GLN A 40 4.204 -5.263 -1.868 1.00 0.00 N ATOM 84 CA GLN A 40 4.470 -6.082 -0.690 1.00 0.00 C ATOM 85 C GLN A 40 3.282 -6.974 -0.389 1.00 0.00 C ATOM 86 O GLN A 40 2.162 -6.676 -0.787 1.00 0.00 O ATOM 87 CB GLN A 40 4.775 -5.208 0.524 1.00 0.00 C ATOM 88 CG GLN A 40 6.261 -5.047 0.799 1.00 0.00 C ATOM 89 CD GLN A 40 6.845 -6.205 1.583 1.00 0.00 C ATOM 90 OE1 GLN A 40 8.008 -6.560 1.404 1.00 0.00 O ATOM 91 NE2 GLN A 40 6.051 -6.784 2.471 1.00 0.00 N ATOM 0 H GLN A 40 3.222 -5.016 -1.991 1.00 0.00 H new ATOM 0 HA GLN A 40 5.341 -6.702 -0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.333 -4.223 0.373 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.296 -5.641 1.402 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.792 -4.951 -0.148 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.425 -4.122 1.351 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.092 -6.457 2.587 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.399 -7.557 3.039 1.00 0.00 H new ATOM 100 N ALA A 41 3.532 -8.075 0.288 1.00 0.00 N ATOM 101 CA ALA A 41 2.480 -9.009 0.645 1.00 0.00 C ATOM 102 C ALA A 41 2.368 -9.143 2.159 1.00 0.00 C ATOM 103 O ALA A 41 3.356 -8.949 2.872 1.00 0.00 O ATOM 104 CB ALA A 41 2.776 -10.344 0.001 1.00 0.00 C ATOM 0 H ALA A 41 4.462 -8.348 0.605 1.00 0.00 H new ATOM 0 HA ALA A 41 1.522 -8.638 0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.992 -11.055 0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.813 -10.225 -1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.737 -10.715 0.358 1.00 0.00 H new ATOM 110 N ILE A 42 1.172 -9.486 2.644 1.00 0.00 N ATOM 111 CA ILE A 42 0.912 -9.563 4.087 1.00 0.00 C ATOM 112 C ILE A 42 -0.171 -10.596 4.374 1.00 0.00 C ATOM 113 O ILE A 42 -0.872 -11.053 3.466 1.00 0.00 O ATOM 114 CB ILE A 42 0.436 -8.215 4.708 1.00 0.00 C ATOM 115 CG1 ILE A 42 -1.087 -8.067 4.561 1.00 0.00 C ATOM 116 CG2 ILE A 42 1.160 -7.027 4.092 1.00 0.00 C ATOM 117 CD1 ILE A 42 -1.633 -6.737 5.025 1.00 0.00 C ATOM 0 H ILE A 42 0.368 -9.715 2.060 1.00 0.00 H new ATOM 0 HA ILE A 42 1.866 -9.835 4.538 1.00 0.00 H new ATOM 0 HB ILE A 42 0.683 -8.229 5.769 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.354 -8.210 3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.573 -8.862 5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.802 -6.105 4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.232 -7.125 4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.966 -6.999 3.020 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.714 -6.719 4.886 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.401 -6.597 6.081 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.179 -5.934 4.444 1.00 0.00 H new ATOM 129 N ASP A 43 -0.312 -10.931 5.644 1.00 0.00 N ATOM 130 CA ASP A 43 -1.393 -11.782 6.116 1.00 0.00 C ATOM 131 C ASP A 43 -2.722 -11.050 6.036 1.00 0.00 C ATOM 132 O ASP A 43 -2.813 -9.896 6.443 1.00 0.00 O ATOM 133 CB ASP A 43 -1.139 -12.168 7.563 1.00 0.00 C ATOM 134 CG ASP A 43 -0.264 -13.392 7.693 1.00 0.00 C ATOM 135 OD1 ASP A 43 -0.788 -14.516 7.563 1.00 0.00 O ATOM 136 OD2 ASP A 43 0.952 -13.238 7.920 1.00 0.00 O ATOM 0 H ASP A 43 0.321 -10.620 6.381 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.432 -12.671 5.487 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.668 -11.332 8.081 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.092 -12.353 8.058 1.00 0.00 H new ATOM 141 N ILE A 44 -3.765 -11.709 5.541 1.00 0.00 N ATOM 142 CA ILE A 44 -5.064 -11.060 5.444 1.00 0.00 C ATOM 143 C ILE A 44 -5.897 -11.350 6.673 1.00 0.00 C ATOM 144 O ILE A 44 -6.863 -10.655 6.963 1.00 0.00 O ATOM 145 CB ILE A 44 -5.859 -11.511 4.207 1.00 0.00 C ATOM 146 CG1 ILE A 44 -6.538 -12.857 4.431 1.00 0.00 C ATOM 147 CG2 ILE A 44 -4.944 -11.584 3.002 1.00 0.00 C ATOM 148 CD1 ILE A 44 -7.630 -13.111 3.426 1.00 0.00 C ATOM 0 H ILE A 44 -3.737 -12.673 5.207 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.863 -9.992 5.358 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.640 -10.773 4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.796 -13.653 4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.956 -12.889 5.437 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.515 -11.904 2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.513 -10.601 2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.145 -12.300 3.195 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.087 -14.081 3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.387 -12.331 3.506 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.208 -13.106 2.421 1.00 0.00 H new ATOM 160 N ASN A 45 -5.540 -12.403 7.378 1.00 0.00 N ATOM 161 CA ASN A 45 -6.261 -12.774 8.579 1.00 0.00 C ATOM 162 C ASN A 45 -5.613 -12.054 9.754 1.00 0.00 C ATOM 163 O ASN A 45 -6.137 -12.045 10.866 1.00 0.00 O ATOM 164 CB ASN A 45 -6.194 -14.285 8.812 1.00 0.00 C ATOM 165 CG ASN A 45 -6.082 -15.077 7.523 1.00 0.00 C ATOM 166 OD1 ASN A 45 -4.854 -15.348 7.123 1.00 0.00 O flip ATOM 167 ND2 ASN A 45 -7.070 -15.440 6.899 1.00 0.00 N flip ATOM 0 H ASN A 45 -4.759 -13.015 7.142 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.309 -12.494 8.476 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.338 -14.512 9.447 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.085 -14.604 9.352 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -8.003 -15.210 7.242 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.961 -15.972 6.036 1.00 0.00 H new ATOM 174 N GLU A 46 -4.465 -11.434 9.473 1.00 0.00 N ATOM 175 CA GLU A 46 -3.690 -10.721 10.463 1.00 0.00 C ATOM 176 C GLU A 46 -3.682 -9.222 10.119 1.00 0.00 C ATOM 177 O GLU A 46 -4.181 -8.833 9.061 1.00 0.00 O ATOM 178 CB GLU A 46 -2.269 -11.298 10.505 1.00 0.00 C ATOM 179 CG GLU A 46 -2.202 -12.734 11.004 1.00 0.00 C ATOM 180 CD GLU A 46 -2.626 -12.864 12.452 1.00 0.00 C ATOM 181 OE1 GLU A 46 -1.824 -12.515 13.343 1.00 0.00 O ATOM 182 OE2 GLU A 46 -3.762 -13.310 12.708 1.00 0.00 O ATOM 0 H GLU A 46 -4.052 -11.419 8.540 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.133 -10.839 11.452 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.838 -11.251 9.505 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.651 -10.671 11.148 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.842 -13.361 10.383 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.184 -13.107 10.892 1.00 0.00 H new ATOM 189 N PRO A 47 -3.104 -8.370 10.983 1.00 0.00 N ATOM 190 CA PRO A 47 -3.198 -6.901 10.870 1.00 0.00 C ATOM 191 C PRO A 47 -2.823 -6.348 9.496 1.00 0.00 C ATOM 192 O PRO A 47 -1.748 -6.634 8.970 1.00 0.00 O ATOM 193 CB PRO A 47 -2.192 -6.403 11.913 1.00 0.00 C ATOM 194 CG PRO A 47 -1.348 -7.588 12.230 1.00 0.00 C ATOM 195 CD PRO A 47 -2.270 -8.752 12.124 1.00 0.00 C ATOM 0 HA PRO A 47 -4.226 -6.573 11.021 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.590 -5.583 11.521 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.698 -6.029 12.803 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.515 -7.678 11.532 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.920 -7.512 13.230 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.733 -9.684 11.945 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.858 -8.892 13.031 1.00 0.00 H new ATOM 203 N ILE A 48 -3.713 -5.533 8.928 1.00 0.00 N ATOM 204 CA ILE A 48 -3.430 -4.869 7.659 1.00 0.00 C ATOM 205 C ILE A 48 -2.516 -3.676 7.891 1.00 0.00 C ATOM 206 O ILE A 48 -1.831 -3.210 6.986 1.00 0.00 O ATOM 207 CB ILE A 48 -4.723 -4.395 6.938 1.00 0.00 C ATOM 208 CG1 ILE A 48 -5.146 -2.986 7.364 1.00 0.00 C ATOM 209 CG2 ILE A 48 -5.853 -5.356 7.200 1.00 0.00 C ATOM 210 CD1 ILE A 48 -4.721 -1.921 6.386 1.00 0.00 C ATOM 0 H ILE A 48 -4.628 -5.319 9.324 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.941 -5.600 7.016 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.497 -4.368 5.872 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.230 -2.957 7.476 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.718 -2.765 8.342 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.751 -5.010 6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.583 -6.345 6.830 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.044 -5.410 8.272 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.050 -0.946 6.744 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.635 -1.926 6.292 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.170 -2.120 5.413 1.00 0.00 H new ATOM 222 N GLY A 49 -2.504 -3.193 9.125 1.00 0.00 N ATOM 223 CA GLY A 49 -1.681 -2.053 9.459 1.00 0.00 C ATOM 224 C GLY A 49 -0.237 -2.442 9.628 1.00 0.00 C ATOM 225 O GLY A 49 0.601 -1.618 9.996 1.00 0.00 O ATOM 0 H GLY A 49 -3.050 -3.571 9.899 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.766 -1.300 8.675 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.046 -1.598 10.380 1.00 0.00 H new ATOM 229 N ASN A 50 0.063 -3.701 9.330 1.00 0.00 N ATOM 230 CA ASN A 50 1.411 -4.224 9.398 1.00 0.00 C ATOM 231 C ASN A 50 2.272 -3.577 8.312 1.00 0.00 C ATOM 232 O ASN A 50 3.498 -3.665 8.328 1.00 0.00 O ATOM 233 CB ASN A 50 1.349 -5.744 9.186 1.00 0.00 C ATOM 234 CG ASN A 50 2.186 -6.536 10.168 1.00 0.00 C ATOM 235 OD1 ASN A 50 3.197 -6.056 10.677 1.00 0.00 O ATOM 236 ND2 ASN A 50 1.768 -7.771 10.434 1.00 0.00 N ATOM 0 H ASN A 50 -0.631 -4.387 9.033 1.00 0.00 H new ATOM 0 HA ASN A 50 1.854 -4.001 10.369 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.312 -6.069 9.263 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.681 -5.973 8.173 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.292 -8.358 11.082 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.923 -8.130 9.989 1.00 0.00 H new ATOM 243 N LEU A 51 1.602 -2.900 7.378 1.00 0.00 N ATOM 244 CA LEU A 51 2.254 -2.280 6.229 1.00 0.00 C ATOM 245 C LEU A 51 3.290 -1.235 6.637 1.00 0.00 C ATOM 246 O LEU A 51 4.259 -1.008 5.920 1.00 0.00 O ATOM 247 CB LEU A 51 1.209 -1.641 5.308 1.00 0.00 C ATOM 248 CG LEU A 51 0.656 -2.555 4.206 1.00 0.00 C ATOM 249 CD1 LEU A 51 0.162 -3.864 4.782 1.00 0.00 C ATOM 250 CD2 LEU A 51 -0.468 -1.864 3.459 1.00 0.00 C ATOM 0 H LEU A 51 0.591 -2.767 7.399 1.00 0.00 H new ATOM 0 HA LEU A 51 2.781 -3.072 5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.376 -1.292 5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.651 -0.762 4.839 1.00 0.00 H new ATOM 0 HG LEU A 51 1.468 -2.769 3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.224 -4.492 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.985 -4.376 5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.632 -3.668 5.503 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.849 -2.526 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.272 -1.621 4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.093 -0.947 3.004 1.00 0.00 H new ATOM 262 N LYS A 52 3.117 -0.629 7.800 1.00 0.00 N ATOM 263 CA LYS A 52 4.047 0.403 8.240 1.00 0.00 C ATOM 264 C LYS A 52 5.368 -0.237 8.654 1.00 0.00 C ATOM 265 O LYS A 52 6.406 0.417 8.710 1.00 0.00 O ATOM 266 CB LYS A 52 3.472 1.223 9.399 1.00 0.00 C ATOM 267 CG LYS A 52 2.262 2.072 9.028 1.00 0.00 C ATOM 268 CD LYS A 52 1.885 2.999 10.171 1.00 0.00 C ATOM 269 CE LYS A 52 0.576 3.707 9.899 1.00 0.00 C ATOM 270 NZ LYS A 52 0.251 4.697 10.957 1.00 0.00 N ATOM 0 H LYS A 52 2.355 -0.828 8.449 1.00 0.00 H new ATOM 0 HA LYS A 52 4.216 1.084 7.406 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.192 0.544 10.205 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.253 1.876 9.789 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.483 2.658 8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.419 1.426 8.784 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.805 2.426 11.095 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.675 3.735 10.320 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.630 4.211 8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.226 2.973 9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.735 5.011 10.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.373 4.259 11.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.886 5.516 10.873 1.00 0.00 H new ATOM 284 N LYS A 53 5.307 -1.524 8.951 1.00 0.00 N ATOM 285 CA LYS A 53 6.486 -2.291 9.311 1.00 0.00 C ATOM 286 C LYS A 53 7.137 -2.905 8.074 1.00 0.00 C ATOM 287 O LYS A 53 8.347 -2.798 7.881 1.00 0.00 O ATOM 288 CB LYS A 53 6.099 -3.380 10.308 1.00 0.00 C ATOM 289 CG LYS A 53 5.641 -2.819 11.641 1.00 0.00 C ATOM 290 CD LYS A 53 4.702 -3.769 12.367 1.00 0.00 C ATOM 291 CE LYS A 53 5.360 -5.101 12.680 1.00 0.00 C ATOM 292 NZ LYS A 53 4.385 -6.061 13.259 1.00 0.00 N ATOM 0 H LYS A 53 4.442 -2.064 8.949 1.00 0.00 H new ATOM 0 HA LYS A 53 7.213 -1.623 9.772 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.302 -3.990 9.882 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.952 -4.038 10.470 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.510 -2.619 12.268 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.138 -1.865 11.479 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.365 -3.306 13.294 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.816 -3.939 11.755 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.790 -5.520 11.770 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.182 -4.948 13.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.887 -6.910 13.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.895 -5.617 14.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.689 -6.329 12.534 1.00 0.00 H new ATOM 306 N LEU A 54 6.322 -3.527 7.227 1.00 0.00 N ATOM 307 CA LEU A 54 6.830 -4.269 6.075 1.00 0.00 C ATOM 308 C LEU A 54 7.272 -3.344 4.943 1.00 0.00 C ATOM 309 O LEU A 54 8.168 -3.679 4.170 1.00 0.00 O ATOM 310 CB LEU A 54 5.774 -5.248 5.545 1.00 0.00 C ATOM 311 CG LEU A 54 5.620 -6.564 6.317 1.00 0.00 C ATOM 312 CD1 LEU A 54 5.056 -6.332 7.708 1.00 0.00 C ATOM 313 CD2 LEU A 54 4.729 -7.518 5.545 1.00 0.00 C ATOM 0 H LEU A 54 5.306 -3.533 7.316 1.00 0.00 H new ATOM 0 HA LEU A 54 7.701 -4.824 6.423 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.809 -4.740 5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.017 -5.485 4.509 1.00 0.00 H new ATOM 0 HG LEU A 54 6.611 -7.005 6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.961 -7.286 8.226 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.726 -5.681 8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.076 -5.862 7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.626 -8.450 6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.746 -7.067 5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.174 -7.724 4.571 1.00 0.00 H new ATOM 325 N LEU A 55 6.641 -2.185 4.833 1.00 0.00 N ATOM 326 CA LEU A 55 6.956 -1.261 3.750 1.00 0.00 C ATOM 327 C LEU A 55 8.053 -0.286 4.143 1.00 0.00 C ATOM 328 O LEU A 55 8.536 0.480 3.306 1.00 0.00 O ATOM 329 CB LEU A 55 5.705 -0.514 3.281 1.00 0.00 C ATOM 330 CG LEU A 55 4.792 -1.322 2.353 1.00 0.00 C ATOM 331 CD1 LEU A 55 5.615 -1.959 1.252 1.00 0.00 C ATOM 332 CD2 LEU A 55 4.020 -2.389 3.113 1.00 0.00 C ATOM 0 H LEU A 55 5.915 -1.862 5.472 1.00 0.00 H new ATOM 0 HA LEU A 55 7.329 -1.856 2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.132 -0.206 4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.013 0.396 2.765 1.00 0.00 H new ATOM 0 HG LEU A 55 4.065 -0.637 1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.961 -2.533 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.117 -1.181 0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.360 -2.622 1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.384 -2.940 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.720 -3.076 3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.401 -1.916 3.876 1.00 0.00 H new ATOM 344 N GLU A 56 8.459 -0.328 5.409 1.00 0.00 N ATOM 345 CA GLU A 56 9.574 0.490 5.877 1.00 0.00 C ATOM 346 C GLU A 56 10.836 0.237 5.035 1.00 0.00 C ATOM 347 O GLU A 56 11.390 1.172 4.458 1.00 0.00 O ATOM 348 CB GLU A 56 9.861 0.242 7.361 1.00 0.00 C ATOM 349 CG GLU A 56 11.053 1.027 7.880 1.00 0.00 C ATOM 350 CD GLU A 56 11.354 0.747 9.333 1.00 0.00 C ATOM 351 OE1 GLU A 56 11.671 -0.412 9.666 1.00 0.00 O ATOM 352 OE2 GLU A 56 11.311 1.693 10.143 1.00 0.00 O ATOM 0 H GLU A 56 8.035 -0.917 6.126 1.00 0.00 H new ATOM 0 HA GLU A 56 9.286 1.535 5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.979 0.506 7.944 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.039 -0.822 7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.930 0.785 7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.863 2.093 7.752 1.00 0.00 H new ATOM 359 N PRO A 57 11.303 -1.029 4.927 1.00 0.00 N ATOM 360 CA PRO A 57 12.486 -1.367 4.123 1.00 0.00 C ATOM 361 C PRO A 57 12.281 -1.057 2.648 1.00 0.00 C ATOM 362 O PRO A 57 13.220 -0.734 1.925 1.00 0.00 O ATOM 363 CB PRO A 57 12.635 -2.882 4.303 1.00 0.00 C ATOM 364 CG PRO A 57 11.308 -3.352 4.775 1.00 0.00 C ATOM 365 CD PRO A 57 10.734 -2.226 5.573 1.00 0.00 C ATOM 0 HA PRO A 57 13.357 -0.793 4.439 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.913 -3.364 3.366 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.416 -3.117 5.026 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.661 -3.604 3.934 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.406 -4.251 5.383 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.645 -2.223 5.538 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.019 -2.291 6.623 1.00 0.00 H new ATOM 373 N ARG A 58 11.036 -1.148 2.216 1.00 0.00 N ATOM 374 CA ARG A 58 10.700 -1.030 0.810 1.00 0.00 C ATOM 375 C ARG A 58 10.826 0.400 0.308 1.00 0.00 C ATOM 376 O ARG A 58 11.358 0.643 -0.775 1.00 0.00 O ATOM 377 CB ARG A 58 9.281 -1.534 0.581 1.00 0.00 C ATOM 378 CG ARG A 58 9.142 -3.039 0.731 1.00 0.00 C ATOM 379 CD ARG A 58 10.101 -3.784 -0.182 1.00 0.00 C ATOM 380 NE ARG A 58 9.997 -5.232 -0.014 1.00 0.00 N ATOM 381 CZ ARG A 58 10.942 -6.102 -0.378 1.00 0.00 C ATOM 382 NH1 ARG A 58 12.071 -5.679 -0.932 1.00 0.00 N ATOM 383 NH2 ARG A 58 10.748 -7.397 -0.186 1.00 0.00 N ATOM 0 H ARG A 58 10.234 -1.305 2.827 1.00 0.00 H new ATOM 0 HA ARG A 58 11.410 -1.637 0.248 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.611 -1.043 1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.958 -1.245 -0.419 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.332 -3.321 1.767 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.118 -3.335 0.503 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.892 -3.523 -1.219 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.123 -3.466 0.027 1.00 0.00 H new ATOM 0 HE ARG A 58 9.146 -5.602 0.409 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.223 -4.682 -1.083 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.787 -6.351 -1.207 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.880 -7.725 0.238 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.466 -8.067 -0.462 1.00 0.00 H new ATOM 397 N LEU A 59 10.341 1.342 1.092 1.00 0.00 N ATOM 398 CA LEU A 59 10.327 2.732 0.671 1.00 0.00 C ATOM 399 C LEU A 59 11.451 3.521 1.327 1.00 0.00 C ATOM 400 O LEU A 59 11.797 4.612 0.878 1.00 0.00 O ATOM 401 CB LEU A 59 8.981 3.374 1.012 1.00 0.00 C ATOM 402 CG LEU A 59 7.761 2.719 0.362 1.00 0.00 C ATOM 403 CD1 LEU A 59 6.477 3.332 0.900 1.00 0.00 C ATOM 404 CD2 LEU A 59 7.825 2.860 -1.152 1.00 0.00 C ATOM 0 H LEU A 59 9.953 1.174 2.020 1.00 0.00 H new ATOM 0 HA LEU A 59 10.478 2.754 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.851 3.353 2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 59 9.011 4.422 0.715 1.00 0.00 H new ATOM 0 HG LEU A 59 7.766 1.658 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.619 2.854 0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.426 3.182 1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.464 4.400 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.950 2.389 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.844 3.917 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.728 2.376 -1.525 1.00 0.00 H new ATOM 416 N GLN A 60 12.024 2.939 2.385 1.00 0.00 N ATOM 417 CA GLN A 60 12.982 3.638 3.247 1.00 0.00 C ATOM 418 C GLN A 60 12.317 4.869 3.847 1.00 0.00 C ATOM 419 O GLN A 60 12.967 5.850 4.208 1.00 0.00 O ATOM 420 CB GLN A 60 14.248 4.018 2.479 1.00 0.00 C ATOM 421 CG GLN A 60 15.043 2.816 1.997 1.00 0.00 C ATOM 422 CD GLN A 60 16.313 3.200 1.260 1.00 0.00 C ATOM 423 OE1 GLN A 60 16.902 4.330 1.623 1.00 0.00 O flip ATOM 424 NE2 GLN A 60 16.769 2.482 0.370 1.00 0.00 N flip ATOM 0 H GLN A 60 11.838 1.976 2.667 1.00 0.00 H new ATOM 0 HA GLN A 60 13.285 2.968 4.051 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.973 4.631 1.621 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.882 4.631 3.119 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.301 2.192 2.852 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.416 2.213 1.340 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.290 1.618 0.116 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.626 2.751 -0.113 1.00 0.00 H new ATOM 433 N CYS A 61 11.007 4.774 3.957 1.00 0.00 N ATOM 434 CA CYS A 61 10.191 5.865 4.448 1.00 0.00 C ATOM 435 C CYS A 61 9.731 5.582 5.864 1.00 0.00 C ATOM 436 O CYS A 61 9.501 4.432 6.228 1.00 0.00 O ATOM 437 CB CYS A 61 8.985 6.083 3.529 1.00 0.00 C ATOM 438 SG CYS A 61 9.416 6.712 1.890 1.00 0.00 S ATOM 0 H CYS A 61 10.479 3.938 3.708 1.00 0.00 H new ATOM 0 HA CYS A 61 10.792 6.774 4.453 1.00 0.00 H new ATOM 0 HB2 CYS A 61 8.451 5.139 3.416 1.00 0.00 H new ATOM 0 HB3 CYS A 61 8.299 6.782 4.007 1.00 0.00 H new ATOM 0 HG CYS A 61 10.352 5.972 1.374 1.00 0.00 H new ATOM 444 N SER A 62 9.640 6.623 6.666 1.00 0.00 N ATOM 445 CA SER A 62 9.106 6.497 8.003 1.00 0.00 C ATOM 446 C SER A 62 7.590 6.404 7.940 1.00 0.00 C ATOM 447 O SER A 62 6.912 7.385 7.637 1.00 0.00 O ATOM 448 CB SER A 62 9.542 7.689 8.846 1.00 0.00 C ATOM 449 OG SER A 62 10.957 7.816 8.837 1.00 0.00 O ATOM 0 H SER A 62 9.930 7.567 6.413 1.00 0.00 H new ATOM 0 HA SER A 62 9.490 5.589 8.467 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.087 8.601 8.459 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.189 7.566 9.870 1.00 0.00 H new ATOM 0 HG SER A 62 11.220 8.587 9.382 1.00 0.00 H new ATOM 455 N LEU A 63 7.070 5.218 8.211 1.00 0.00 N ATOM 456 CA LEU A 63 5.636 4.986 8.126 1.00 0.00 C ATOM 457 C LEU A 63 4.979 5.346 9.453 1.00 0.00 C ATOM 458 O LEU A 63 4.989 4.555 10.397 1.00 0.00 O ATOM 459 CB LEU A 63 5.309 3.533 7.752 1.00 0.00 C ATOM 460 CG LEU A 63 5.806 3.019 6.392 1.00 0.00 C ATOM 461 CD1 LEU A 63 5.727 4.072 5.298 1.00 0.00 C ATOM 462 CD2 LEU A 63 7.210 2.487 6.519 1.00 0.00 C ATOM 0 H LEU A 63 7.616 4.403 8.491 1.00 0.00 H new ATOM 0 HA LEU A 63 5.242 5.622 7.334 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.721 2.886 8.526 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.226 3.414 7.780 1.00 0.00 H new ATOM 0 HG LEU A 63 5.139 2.211 6.092 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.091 3.651 4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.692 4.391 5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.341 4.930 5.573 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.551 2.126 5.549 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.871 3.283 6.863 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.225 1.667 7.237 1.00 0.00 H new ATOM 474 N ASP A 64 4.403 6.543 9.518 1.00 0.00 N ATOM 475 CA ASP A 64 3.854 7.057 10.766 1.00 0.00 C ATOM 476 C ASP A 64 2.497 7.747 10.563 1.00 0.00 C ATOM 477 O ASP A 64 1.456 7.164 10.868 1.00 0.00 O ATOM 478 CB ASP A 64 4.858 7.988 11.484 1.00 0.00 C ATOM 479 CG ASP A 64 5.423 9.126 10.631 1.00 0.00 C ATOM 480 OD1 ASP A 64 4.990 9.311 9.474 1.00 0.00 O ATOM 481 OD2 ASP A 64 6.306 9.856 11.132 1.00 0.00 O ATOM 0 H ASP A 64 4.305 7.173 8.722 1.00 0.00 H new ATOM 0 HA ASP A 64 3.678 6.197 11.412 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.367 8.420 12.356 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.688 7.385 11.851 1.00 0.00 H new ATOM 486 N ALA A 65 2.504 8.970 10.041 1.00 0.00 N ATOM 487 CA ALA A 65 1.288 9.777 9.919 1.00 0.00 C ATOM 488 C ALA A 65 0.331 9.231 8.868 1.00 0.00 C ATOM 489 O ALA A 65 -0.878 9.458 8.941 1.00 0.00 O ATOM 490 CB ALA A 65 1.650 11.214 9.592 1.00 0.00 C ATOM 0 H ALA A 65 3.345 9.430 9.692 1.00 0.00 H new ATOM 0 HA ALA A 65 0.774 9.733 10.879 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.740 11.807 9.503 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.273 11.622 10.388 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.197 11.246 8.650 1.00 0.00 H new ATOM 496 N HIS A 66 0.866 8.518 7.894 1.00 0.00 N ATOM 497 CA HIS A 66 0.038 7.934 6.856 1.00 0.00 C ATOM 498 C HIS A 66 -0.687 6.687 7.318 1.00 0.00 C ATOM 499 O HIS A 66 -0.083 5.690 7.718 1.00 0.00 O ATOM 500 CB HIS A 66 0.779 7.711 5.523 1.00 0.00 C ATOM 501 CG HIS A 66 2.260 7.477 5.583 1.00 0.00 C ATOM 502 ND1 HIS A 66 2.929 7.182 6.743 1.00 0.00 N ATOM 503 CD2 HIS A 66 3.158 7.597 4.578 1.00 0.00 C ATOM 504 CE1 HIS A 66 4.207 7.146 6.415 1.00 0.00 C ATOM 505 NE2 HIS A 66 4.396 7.392 5.115 1.00 0.00 N ATOM 0 H HIS A 66 1.864 8.330 7.800 1.00 0.00 H new ATOM 0 HA HIS A 66 -0.724 8.686 6.649 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.323 6.855 5.024 1.00 0.00 H new ATOM 0 HB3 HIS A 66 0.601 8.581 4.890 1.00 0.00 H new ATOM 0 HD2 HIS A 66 2.936 7.814 3.544 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.005 6.942 7.114 1.00 0.00 H new ATOM 0 HE2 HIS A 66 5.288 7.421 4.622 1.00 0.00 H new ATOM 513 N GLU A 67 -2.009 6.790 7.262 1.00 0.00 N ATOM 514 CA GLU A 67 -2.914 5.727 7.657 1.00 0.00 C ATOM 515 C GLU A 67 -3.046 4.718 6.528 1.00 0.00 C ATOM 516 O GLU A 67 -2.883 5.059 5.361 1.00 0.00 O ATOM 517 CB GLU A 67 -4.284 6.332 7.992 1.00 0.00 C ATOM 518 CG GLU A 67 -5.378 5.311 8.263 1.00 0.00 C ATOM 519 CD GLU A 67 -5.103 4.474 9.497 1.00 0.00 C ATOM 520 OE1 GLU A 67 -4.194 3.620 9.453 1.00 0.00 O ATOM 521 OE2 GLU A 67 -5.783 4.680 10.523 1.00 0.00 O ATOM 0 H GLU A 67 -2.487 7.630 6.935 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.521 5.216 8.536 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.179 6.973 8.867 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.597 6.970 7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.330 5.828 8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.479 4.655 7.399 1.00 0.00 H new ATOM 528 N ILE A 68 -3.352 3.483 6.872 1.00 0.00 N ATOM 529 CA ILE A 68 -3.458 2.435 5.877 1.00 0.00 C ATOM 530 C ILE A 68 -4.847 2.461 5.250 1.00 0.00 C ATOM 531 O ILE A 68 -5.828 2.823 5.905 1.00 0.00 O ATOM 532 CB ILE A 68 -3.189 1.037 6.460 1.00 0.00 C ATOM 533 CG1 ILE A 68 -2.343 1.106 7.738 1.00 0.00 C ATOM 534 CG2 ILE A 68 -2.481 0.190 5.414 1.00 0.00 C ATOM 535 CD1 ILE A 68 -0.894 1.476 7.506 1.00 0.00 C ATOM 0 H ILE A 68 -3.531 3.181 7.830 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.694 2.629 5.124 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.145 0.586 6.725 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.788 1.835 8.415 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.383 0.139 8.239 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.287 -0.803 5.820 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.111 0.103 4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.537 0.662 5.142 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.368 1.502 8.460 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.429 0.735 6.856 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.840 2.457 7.035 1.00 0.00 H new ATOM 547 N CYS A 69 -4.931 2.073 3.990 1.00 0.00 N ATOM 548 CA CYS A 69 -6.152 2.204 3.222 1.00 0.00 C ATOM 549 C CYS A 69 -6.190 1.169 2.116 1.00 0.00 C ATOM 550 O CYS A 69 -5.212 0.464 1.878 1.00 0.00 O ATOM 551 CB CYS A 69 -6.258 3.607 2.623 1.00 0.00 C ATOM 552 SG CYS A 69 -6.501 4.905 3.848 1.00 0.00 S ATOM 0 H CYS A 69 -4.155 1.659 3.473 1.00 0.00 H new ATOM 0 HA CYS A 69 -6.998 2.041 3.890 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.351 3.820 2.057 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.087 3.628 1.916 1.00 0.00 H new ATOM 0 HG CYS A 69 -6.359 4.408 5.041 1.00 0.00 H new ATOM 558 N LEU A 70 -7.328 1.062 1.460 1.00 0.00 N ATOM 559 CA LEU A 70 -7.487 0.134 0.368 1.00 0.00 C ATOM 560 C LEU A 70 -8.409 0.717 -0.674 1.00 0.00 C ATOM 561 O LEU A 70 -9.576 0.949 -0.400 1.00 0.00 O ATOM 562 CB LEU A 70 -8.056 -1.169 0.886 1.00 0.00 C ATOM 563 CG LEU A 70 -7.732 -2.371 0.033 1.00 0.00 C ATOM 564 CD1 LEU A 70 -7.636 -3.596 0.910 1.00 0.00 C ATOM 565 CD2 LEU A 70 -8.777 -2.574 -1.052 1.00 0.00 C ATOM 0 H LEU A 70 -8.160 1.613 1.670 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.514 -0.054 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.679 -1.341 1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.139 -1.074 0.963 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.775 -2.202 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.402 -4.466 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.849 -3.452 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.587 -3.756 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.516 -3.447 -1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.753 -2.727 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.812 -1.693 -1.693 1.00 0.00 H new ATOM 577 N GLN A 71 -7.879 0.957 -1.867 1.00 0.00 N ATOM 578 CA GLN A 71 -8.642 1.605 -2.923 1.00 0.00 C ATOM 579 C GLN A 71 -9.223 2.915 -2.398 1.00 0.00 C ATOM 580 O GLN A 71 -10.331 3.310 -2.751 1.00 0.00 O ATOM 581 CB GLN A 71 -9.725 0.653 -3.454 1.00 0.00 C ATOM 582 CG GLN A 71 -9.157 -0.460 -4.333 1.00 0.00 C ATOM 583 CD GLN A 71 -9.893 -1.784 -4.198 1.00 0.00 C ATOM 584 OE1 GLN A 71 -11.086 -1.828 -3.903 1.00 0.00 O ATOM 585 NE2 GLN A 71 -9.173 -2.880 -4.426 1.00 0.00 N ATOM 0 H GLN A 71 -6.923 0.712 -2.126 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.991 1.845 -3.764 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.256 0.209 -2.612 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.456 1.225 -4.026 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.191 -0.141 -5.375 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.108 -0.611 -4.080 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.185 -2.800 -4.668 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.609 -3.800 -4.358 1.00 0.00 H new ATOM 594 N ASP A 72 -8.436 3.539 -1.507 1.00 0.00 N ATOM 595 CA ASP A 72 -8.742 4.838 -0.886 1.00 0.00 C ATOM 596 C ASP A 72 -9.614 4.672 0.359 1.00 0.00 C ATOM 597 O ASP A 72 -9.697 5.578 1.183 1.00 0.00 O ATOM 598 CB ASP A 72 -9.366 5.836 -1.879 1.00 0.00 C ATOM 599 CG ASP A 72 -9.755 7.146 -1.220 1.00 0.00 C ATOM 600 OD1 ASP A 72 -8.863 7.991 -1.004 1.00 0.00 O ATOM 601 OD2 ASP A 72 -10.949 7.332 -0.909 1.00 0.00 O ATOM 0 H ASP A 72 -7.549 3.146 -1.191 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.789 5.264 -0.573 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.658 6.034 -2.683 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.248 5.386 -2.335 1.00 0.00 H new ATOM 606 N ILE A 73 -10.232 3.506 0.521 1.00 0.00 N ATOM 607 CA ILE A 73 -10.984 3.204 1.737 1.00 0.00 C ATOM 608 C ILE A 73 -10.025 3.097 2.908 1.00 0.00 C ATOM 609 O ILE A 73 -9.161 2.226 2.912 1.00 0.00 O ATOM 610 CB ILE A 73 -11.722 1.850 1.651 1.00 0.00 C ATOM 611 CG1 ILE A 73 -12.417 1.665 0.307 1.00 0.00 C ATOM 612 CG2 ILE A 73 -12.728 1.730 2.785 1.00 0.00 C ATOM 613 CD1 ILE A 73 -12.721 0.211 0.020 1.00 0.00 C ATOM 0 H ILE A 73 -10.228 2.757 -0.171 1.00 0.00 H new ATOM 0 HA ILE A 73 -11.710 4.008 1.863 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.976 1.061 1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -13.344 2.238 0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -11.786 2.066 -0.486 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.243 0.772 2.715 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -12.208 1.794 3.741 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.455 2.539 2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -13.216 0.127 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.792 -0.359 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.375 -0.184 0.797 1.00 0.00 H new ATOM 625 N GLN A 74 -10.156 3.964 3.890 1.00 0.00 N ATOM 626 CA GLN A 74 -9.292 3.878 5.056 1.00 0.00 C ATOM 627 C GLN A 74 -9.594 2.608 5.846 1.00 0.00 C ATOM 628 O GLN A 74 -10.751 2.231 6.041 1.00 0.00 O ATOM 629 CB GLN A 74 -9.364 5.128 5.955 1.00 0.00 C ATOM 630 CG GLN A 74 -10.564 6.037 5.722 1.00 0.00 C ATOM 631 CD GLN A 74 -10.310 7.120 4.680 1.00 0.00 C ATOM 632 OE1 GLN A 74 -9.459 6.846 3.700 1.00 0.00 O flip ATOM 633 NE2 GLN A 74 -10.878 8.209 4.760 1.00 0.00 N flip ATOM 0 H GLN A 74 -10.837 4.723 3.909 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.266 3.832 4.690 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.372 4.805 6.996 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.455 5.711 5.809 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.413 5.431 5.406 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -10.842 6.508 6.665 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -11.527 8.390 5.525 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.699 8.930 4.061 1.00 0.00 H new ATOM 642 N LEU A 75 -8.532 1.960 6.289 1.00 0.00 N ATOM 643 CA LEU A 75 -8.616 0.653 6.924 1.00 0.00 C ATOM 644 C LEU A 75 -8.217 0.773 8.385 1.00 0.00 C ATOM 645 O LEU A 75 -7.863 1.859 8.844 1.00 0.00 O ATOM 646 CB LEU A 75 -7.699 -0.337 6.197 1.00 0.00 C ATOM 647 CG LEU A 75 -8.145 -0.721 4.782 1.00 0.00 C ATOM 648 CD1 LEU A 75 -7.004 -1.328 3.991 1.00 0.00 C ATOM 649 CD2 LEU A 75 -9.288 -1.710 4.836 1.00 0.00 C ATOM 0 H LEU A 75 -7.582 2.325 6.219 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.640 0.284 6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.699 0.092 6.141 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.623 -1.245 6.796 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.473 0.192 4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.353 -1.590 2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.190 -0.607 3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.647 -2.225 4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.591 -1.971 3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.967 -2.609 5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.131 -1.263 5.363 1.00 0.00 H new ATOM 661 N ASP A 76 -8.270 -0.329 9.118 1.00 0.00 N ATOM 662 CA ASP A 76 -7.904 -0.317 10.522 1.00 0.00 C ATOM 663 C ASP A 76 -6.770 -1.291 10.781 1.00 0.00 C ATOM 664 O ASP A 76 -6.952 -2.503 10.692 1.00 0.00 O ATOM 665 CB ASP A 76 -9.098 -0.656 11.420 1.00 0.00 C ATOM 666 CG ASP A 76 -9.947 0.558 11.742 1.00 0.00 C ATOM 667 OD1 ASP A 76 -9.492 1.408 12.529 1.00 0.00 O ATOM 668 OD2 ASP A 76 -11.075 0.667 11.220 1.00 0.00 O ATOM 0 H ASP A 76 -8.562 -1.239 8.763 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.575 0.693 10.766 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.716 -1.407 10.928 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.736 -1.098 12.348 1.00 0.00 H new ATOM 673 N PRO A 77 -5.576 -0.752 11.066 1.00 0.00 N ATOM 674 CA PRO A 77 -4.394 -1.528 11.482 1.00 0.00 C ATOM 675 C PRO A 77 -4.696 -2.498 12.626 1.00 0.00 C ATOM 676 O PRO A 77 -3.996 -3.496 12.807 1.00 0.00 O ATOM 677 CB PRO A 77 -3.424 -0.446 11.954 1.00 0.00 C ATOM 678 CG PRO A 77 -3.792 0.760 11.163 1.00 0.00 C ATOM 679 CD PRO A 77 -5.280 0.686 10.958 1.00 0.00 C ATOM 0 HA PRO A 77 -4.014 -2.154 10.675 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.524 -0.264 13.024 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.389 -0.736 11.775 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.516 1.672 11.692 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.267 0.775 10.208 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.817 1.263 11.711 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.570 1.083 9.985 1.00 0.00 H new ATOM 687 N ASP A 78 -5.741 -2.189 13.386 1.00 0.00 N ATOM 688 CA ASP A 78 -6.187 -3.030 14.494 1.00 0.00 C ATOM 689 C ASP A 78 -6.836 -4.308 13.979 1.00 0.00 C ATOM 690 O ASP A 78 -6.966 -5.294 14.707 1.00 0.00 O ATOM 691 CB ASP A 78 -7.205 -2.271 15.350 1.00 0.00 C ATOM 692 CG ASP A 78 -6.621 -1.048 16.026 1.00 0.00 C ATOM 693 OD1 ASP A 78 -6.072 -1.183 17.139 1.00 0.00 O ATOM 694 OD2 ASP A 78 -6.717 0.057 15.448 1.00 0.00 O ATOM 0 H ASP A 78 -6.304 -1.349 13.252 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.313 -3.288 15.092 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.043 -1.966 14.723 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.604 -2.943 16.110 1.00 0.00 H new ATOM 699 N ARG A 79 -7.224 -4.286 12.713 1.00 0.00 N ATOM 700 CA ARG A 79 -8.022 -5.349 12.123 1.00 0.00 C ATOM 701 C ARG A 79 -7.352 -5.876 10.860 1.00 0.00 C ATOM 702 O ARG A 79 -6.444 -5.242 10.318 1.00 0.00 O ATOM 703 CB ARG A 79 -9.413 -4.807 11.798 1.00 0.00 C ATOM 704 CG ARG A 79 -10.181 -4.344 13.024 1.00 0.00 C ATOM 705 CD ARG A 79 -11.502 -3.703 12.645 1.00 0.00 C ATOM 706 NE ARG A 79 -12.169 -3.099 13.796 1.00 0.00 N ATOM 707 CZ ARG A 79 -13.072 -2.129 13.699 1.00 0.00 C ATOM 708 NH1 ARG A 79 -13.406 -1.648 12.508 1.00 0.00 N ATOM 709 NH2 ARG A 79 -13.635 -1.631 14.792 1.00 0.00 N ATOM 0 H ARG A 79 -6.995 -3.531 12.066 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.109 -6.173 12.831 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.317 -3.973 11.102 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.987 -5.582 11.290 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.364 -5.193 13.682 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.577 -3.630 13.585 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.330 -2.941 11.885 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.155 -4.454 12.201 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.928 -3.441 14.726 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.969 -2.023 11.666 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.099 -0.903 12.435 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.375 -1.993 15.710 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.328 -0.886 14.715 1.00 0.00 H new ATOM 723 N SER A 80 -7.786 -7.041 10.405 1.00 0.00 N ATOM 724 CA SER A 80 -7.190 -7.696 9.248 1.00 0.00 C ATOM 725 C SER A 80 -8.014 -7.491 7.968 1.00 0.00 C ATOM 726 O SER A 80 -9.044 -6.836 8.003 1.00 0.00 O ATOM 727 CB SER A 80 -7.107 -9.175 9.565 1.00 0.00 C ATOM 728 OG SER A 80 -6.699 -9.367 10.909 1.00 0.00 O ATOM 0 H SER A 80 -8.558 -7.559 10.825 1.00 0.00 H new ATOM 0 HA SER A 80 -6.208 -7.262 9.060 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.077 -9.644 9.402 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.401 -9.660 8.891 1.00 0.00 H new ATOM 0 HG SER A 80 -6.599 -10.326 11.087 1.00 0.00 H new ATOM 734 N LEU A 81 -7.533 -8.021 6.835 1.00 0.00 N ATOM 735 CA LEU A 81 -8.330 -8.068 5.598 1.00 0.00 C ATOM 736 C LEU A 81 -9.617 -8.857 5.835 1.00 0.00 C ATOM 737 O LEU A 81 -10.680 -8.502 5.335 1.00 0.00 O ATOM 738 CB LEU A 81 -7.546 -8.697 4.437 1.00 0.00 C ATOM 739 CG LEU A 81 -6.722 -7.747 3.556 1.00 0.00 C ATOM 740 CD1 LEU A 81 -5.625 -7.061 4.345 1.00 0.00 C ATOM 741 CD2 LEU A 81 -6.126 -8.507 2.380 1.00 0.00 C ATOM 0 H LEU A 81 -6.599 -8.422 6.748 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.571 -7.041 5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.871 -9.446 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.253 -9.224 3.797 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.394 -6.974 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.064 -6.397 3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.068 -6.480 5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.953 -7.811 4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.544 -7.823 1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.479 -9.302 2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.928 -8.941 1.783 1.00 0.00 H new ATOM 753 N PHE A 82 -9.506 -9.923 6.620 1.00 0.00 N ATOM 754 CA PHE A 82 -10.681 -10.660 7.089 1.00 0.00 C ATOM 755 C PHE A 82 -11.608 -9.777 7.942 1.00 0.00 C ATOM 756 O PHE A 82 -12.750 -10.141 8.215 1.00 0.00 O ATOM 757 CB PHE A 82 -10.290 -11.930 7.864 1.00 0.00 C ATOM 758 CG PHE A 82 -10.191 -13.175 7.029 1.00 0.00 C ATOM 759 CD1 PHE A 82 -10.261 -13.125 5.651 1.00 0.00 C ATOM 760 CD2 PHE A 82 -10.077 -14.409 7.647 1.00 0.00 C ATOM 761 CE1 PHE A 82 -10.208 -14.289 4.901 1.00 0.00 C ATOM 762 CE2 PHE A 82 -10.032 -15.572 6.905 1.00 0.00 C ATOM 763 CZ PHE A 82 -10.097 -15.511 5.529 1.00 0.00 C ATOM 0 H PHE A 82 -8.616 -10.299 6.947 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.230 -10.964 6.198 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.330 -11.760 8.351 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -11.023 -12.097 8.653 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.358 -12.171 5.154 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -10.023 -14.462 8.724 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.254 -14.239 3.823 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -9.946 -16.528 7.401 1.00 0.00 H new ATOM 0 HZ PHE A 82 -10.061 -16.419 4.945 1.00 0.00 H new ATOM 773 N ASP A 83 -11.098 -8.651 8.401 1.00 0.00 N ATOM 774 CA ASP A 83 -11.931 -7.666 9.083 1.00 0.00 C ATOM 775 C ASP A 83 -12.204 -6.460 8.192 1.00 0.00 C ATOM 776 O ASP A 83 -13.047 -5.621 8.508 1.00 0.00 O ATOM 777 CB ASP A 83 -11.284 -7.214 10.388 1.00 0.00 C ATOM 778 CG ASP A 83 -11.703 -8.061 11.568 1.00 0.00 C ATOM 779 OD1 ASP A 83 -12.896 -8.030 11.932 1.00 0.00 O ATOM 780 OD2 ASP A 83 -10.839 -8.749 12.150 1.00 0.00 O ATOM 0 H ASP A 83 -10.115 -8.391 8.317 1.00 0.00 H new ATOM 0 HA ASP A 83 -12.882 -8.147 9.312 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.200 -7.253 10.284 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.549 -6.174 10.580 1.00 0.00 H new ATOM 785 N GLN A 84 -11.496 -6.382 7.078 1.00 0.00 N ATOM 786 CA GLN A 84 -11.617 -5.251 6.174 1.00 0.00 C ATOM 787 C GLN A 84 -11.551 -5.682 4.719 1.00 0.00 C ATOM 788 O GLN A 84 -10.471 -5.753 4.130 1.00 0.00 O ATOM 789 CB GLN A 84 -10.509 -4.227 6.426 1.00 0.00 C ATOM 790 CG GLN A 84 -10.845 -3.144 7.442 1.00 0.00 C ATOM 791 CD GLN A 84 -10.202 -3.357 8.788 1.00 0.00 C ATOM 792 OE1 GLN A 84 -10.749 -2.951 9.808 1.00 0.00 O ATOM 793 NE2 GLN A 84 -9.028 -3.969 8.799 1.00 0.00 N ATOM 0 H GLN A 84 -10.828 -7.092 6.777 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.591 -4.802 6.370 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -9.618 -4.756 6.764 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -10.256 -3.749 5.480 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.530 -2.178 7.048 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.927 -3.100 7.569 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.612 -4.290 7.925 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.540 -4.120 9.682 1.00 0.00 H new ATOM 802 N GLY A 85 -12.698 -5.974 4.142 1.00 0.00 N ATOM 803 CA GLY A 85 -12.755 -6.177 2.717 1.00 0.00 C ATOM 804 C GLY A 85 -12.879 -7.622 2.304 1.00 0.00 C ATOM 805 O GLY A 85 -13.988 -8.150 2.197 1.00 0.00 O ATOM 0 H GLY A 85 -13.587 -6.074 4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.603 -5.622 2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.856 -5.757 2.265 1.00 0.00 H new ATOM 809 N VAL A 86 -11.748 -8.282 2.088 1.00 0.00 N ATOM 810 CA VAL A 86 -11.745 -9.571 1.422 1.00 0.00 C ATOM 811 C VAL A 86 -11.750 -10.725 2.406 1.00 0.00 C ATOM 812 O VAL A 86 -11.057 -10.705 3.423 1.00 0.00 O ATOM 813 CB VAL A 86 -10.522 -9.734 0.490 1.00 0.00 C ATOM 814 CG1 VAL A 86 -10.532 -8.680 -0.607 1.00 0.00 C ATOM 815 CG2 VAL A 86 -9.210 -9.693 1.270 1.00 0.00 C ATOM 0 H VAL A 86 -10.826 -7.945 2.364 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.662 -9.597 0.833 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.595 -10.716 0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.662 -8.815 -1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -11.441 -8.781 -1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.500 -7.687 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.373 -9.811 0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.123 -8.737 1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -9.195 -10.502 2.000 1.00 0.00 H new ATOM 825 N LYS A 87 -12.542 -11.731 2.098 1.00 0.00 N ATOM 826 CA LYS A 87 -12.476 -12.983 2.819 1.00 0.00 C ATOM 827 C LYS A 87 -12.038 -14.066 1.852 1.00 0.00 C ATOM 828 O LYS A 87 -12.843 -14.880 1.393 1.00 0.00 O ATOM 829 CB LYS A 87 -13.831 -13.325 3.438 1.00 0.00 C ATOM 830 CG LYS A 87 -14.486 -12.142 4.122 1.00 0.00 C ATOM 831 CD LYS A 87 -13.689 -11.642 5.320 1.00 0.00 C ATOM 832 CE LYS A 87 -14.095 -10.218 5.658 1.00 0.00 C ATOM 833 NZ LYS A 87 -15.507 -10.144 6.120 1.00 0.00 N ATOM 0 H LYS A 87 -13.238 -11.705 1.353 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.758 -12.902 3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.495 -13.701 2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.701 -14.130 4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.602 -11.331 3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.487 -12.424 4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.862 -12.291 6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.622 -11.682 5.100 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.437 -9.826 6.434 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.965 -9.585 4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.718 -9.176 6.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.142 -10.398 5.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.649 -10.806 6.909 1.00 0.00 H new ATOM 847 N THR A 88 -10.758 -14.046 1.522 1.00 0.00 N ATOM 848 CA THR A 88 -10.197 -15.022 0.616 1.00 0.00 C ATOM 849 C THR A 88 -9.385 -16.056 1.398 1.00 0.00 C ATOM 850 O THR A 88 -9.979 -16.950 2.005 1.00 0.00 O ATOM 851 CB THR A 88 -9.380 -14.355 -0.528 1.00 0.00 C ATOM 852 OG1 THR A 88 -8.626 -15.334 -1.254 1.00 0.00 O ATOM 853 CG2 THR A 88 -8.453 -13.258 -0.006 1.00 0.00 C ATOM 0 H THR A 88 -10.089 -13.360 1.872 1.00 0.00 H new ATOM 0 HA THR A 88 -11.015 -15.547 0.122 1.00 0.00 H new ATOM 0 HB THR A 88 -10.099 -13.889 -1.202 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.121 -14.894 -1.969 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.902 -12.820 -0.839 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.044 -12.485 0.485 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.750 -13.685 0.709 1.00 0.00 H new ATOM 861 N ASP A 89 -8.058 -15.931 1.428 1.00 0.00 N ATOM 862 CA ASP A 89 -7.237 -16.845 2.214 1.00 0.00 C ATOM 863 C ASP A 89 -5.757 -16.496 2.177 1.00 0.00 C ATOM 864 O ASP A 89 -5.162 -16.327 1.113 1.00 0.00 O ATOM 865 CB ASP A 89 -7.434 -18.284 1.723 1.00 0.00 C ATOM 866 CG ASP A 89 -6.361 -19.238 2.206 1.00 0.00 C ATOM 867 OD1 ASP A 89 -6.405 -19.653 3.381 1.00 0.00 O ATOM 868 OD2 ASP A 89 -5.482 -19.598 1.395 1.00 0.00 O ATOM 0 H ASP A 89 -7.536 -15.215 0.923 1.00 0.00 H new ATOM 0 HA ASP A 89 -7.567 -16.748 3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.407 -18.644 2.058 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.450 -18.289 0.633 1.00 0.00 H new ATOM 873 N GLY A 90 -5.194 -16.352 3.366 1.00 0.00 N ATOM 874 CA GLY A 90 -3.751 -16.394 3.528 1.00 0.00 C ATOM 875 C GLY A 90 -3.068 -15.060 3.349 1.00 0.00 C ATOM 876 O GLY A 90 -3.434 -14.073 3.987 1.00 0.00 O ATOM 0 H GLY A 90 -5.714 -16.205 4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.519 -16.777 4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.337 -17.101 2.809 1.00 0.00 H new ATOM 880 N THR A 91 -2.055 -15.051 2.499 1.00 0.00 N ATOM 881 CA THR A 91 -1.274 -13.859 2.226 1.00 0.00 C ATOM 882 C THR A 91 -1.568 -13.349 0.824 1.00 0.00 C ATOM 883 O THR A 91 -1.411 -14.080 -0.147 1.00 0.00 O ATOM 884 CB THR A 91 0.237 -14.157 2.355 1.00 0.00 C ATOM 885 OG1 THR A 91 0.543 -14.557 3.700 1.00 0.00 O ATOM 886 CG2 THR A 91 1.084 -12.949 1.964 1.00 0.00 C ATOM 0 H THR A 91 -1.751 -15.873 1.978 1.00 0.00 H new ATOM 0 HA THR A 91 -1.550 -13.098 2.955 1.00 0.00 H new ATOM 0 HB THR A 91 0.478 -14.969 1.669 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.502 -14.746 3.775 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.140 -13.197 2.067 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.875 -12.677 0.929 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.843 -12.109 2.616 1.00 0.00 H new ATOM 894 N VAL A 92 -2.020 -12.112 0.718 1.00 0.00 N ATOM 895 CA VAL A 92 -2.243 -11.506 -0.586 1.00 0.00 C ATOM 896 C VAL A 92 -1.112 -10.552 -0.916 1.00 0.00 C ATOM 897 O VAL A 92 -0.345 -10.156 -0.036 1.00 0.00 O ATOM 898 CB VAL A 92 -3.574 -10.734 -0.663 1.00 0.00 C ATOM 899 CG1 VAL A 92 -4.732 -11.633 -0.287 1.00 0.00 C ATOM 900 CG2 VAL A 92 -3.545 -9.489 0.205 1.00 0.00 C ATOM 0 H VAL A 92 -2.239 -11.510 1.512 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.283 -12.324 -1.306 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.714 -10.408 -1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.664 -11.071 -0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.774 -12.479 -0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.594 -11.998 0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.500 -8.969 0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.370 -9.773 1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.744 -8.830 -0.131 1.00 0.00 H new ATOM 910 N GLN A 93 -1.020 -10.182 -2.175 1.00 0.00 N ATOM 911 CA GLN A 93 -0.022 -9.238 -2.612 1.00 0.00 C ATOM 912 C GLN A 93 -0.689 -7.875 -2.754 1.00 0.00 C ATOM 913 O GLN A 93 -1.647 -7.719 -3.507 1.00 0.00 O ATOM 914 CB GLN A 93 0.601 -9.711 -3.930 1.00 0.00 C ATOM 915 CG GLN A 93 2.019 -9.213 -4.174 1.00 0.00 C ATOM 916 CD GLN A 93 2.075 -7.788 -4.687 1.00 0.00 C ATOM 917 OE1 GLN A 93 2.025 -7.547 -5.892 1.00 0.00 O ATOM 918 NE2 GLN A 93 2.204 -6.835 -3.780 1.00 0.00 N ATOM 0 H GLN A 93 -1.630 -10.525 -2.917 1.00 0.00 H new ATOM 0 HA GLN A 93 0.787 -9.161 -1.885 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.605 -10.801 -3.945 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.032 -9.383 -4.754 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.585 -9.280 -3.245 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.509 -9.870 -4.893 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.242 -7.075 -2.789 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.266 -5.859 -4.071 1.00 0.00 H new ATOM 927 N LEU A 94 -0.185 -6.913 -2.003 1.00 0.00 N ATOM 928 CA LEU A 94 -0.793 -5.593 -1.929 1.00 0.00 C ATOM 929 C LEU A 94 -0.056 -4.606 -2.810 1.00 0.00 C ATOM 930 O LEU A 94 1.131 -4.344 -2.595 1.00 0.00 O ATOM 931 CB LEU A 94 -0.789 -5.050 -0.495 1.00 0.00 C ATOM 932 CG LEU A 94 -1.584 -5.839 0.549 1.00 0.00 C ATOM 933 CD1 LEU A 94 -2.908 -6.330 0.002 1.00 0.00 C ATOM 934 CD2 LEU A 94 -0.765 -6.988 1.105 1.00 0.00 C ATOM 0 H LEU A 94 0.652 -7.021 -1.430 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.822 -5.705 -2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.246 -4.990 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.177 -4.031 -0.517 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.808 -5.154 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.438 -6.884 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.511 -5.478 -0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.729 -6.982 -0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.354 -7.531 1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.488 -7.663 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.137 -6.597 1.576 1.00 0.00 H new ATOM 946 N SER A 95 -0.740 -4.064 -3.803 1.00 0.00 N ATOM 947 CA SER A 95 -0.215 -2.900 -4.492 1.00 0.00 C ATOM 948 C SER A 95 -0.650 -1.671 -3.704 1.00 0.00 C ATOM 949 O SER A 95 -1.577 -0.951 -4.077 1.00 0.00 O ATOM 950 CB SER A 95 -0.715 -2.836 -5.937 1.00 0.00 C ATOM 951 OG SER A 95 -0.087 -1.785 -6.659 1.00 0.00 O ATOM 0 H SER A 95 -1.640 -4.402 -4.144 1.00 0.00 H new ATOM 0 HA SER A 95 0.872 -2.952 -4.546 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.520 -3.787 -6.433 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.795 -2.689 -5.943 1.00 0.00 H new ATOM 0 HG SER A 95 -0.426 -1.771 -7.578 1.00 0.00 H new ATOM 957 N VAL A 96 0.010 -1.488 -2.579 1.00 0.00 N ATOM 958 CA VAL A 96 -0.290 -0.402 -1.671 1.00 0.00 C ATOM 959 C VAL A 96 0.454 0.871 -2.076 1.00 0.00 C ATOM 960 O VAL A 96 1.640 0.845 -2.405 1.00 0.00 O ATOM 961 CB VAL A 96 0.005 -0.820 -0.210 1.00 0.00 C ATOM 962 CG1 VAL A 96 1.342 -1.540 -0.110 1.00 0.00 C ATOM 963 CG2 VAL A 96 -0.041 0.376 0.729 1.00 0.00 C ATOM 0 H VAL A 96 0.772 -2.091 -2.268 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.354 -0.176 -1.733 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.777 -1.513 0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.526 -1.823 0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.321 -2.435 -0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.138 -0.879 -0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.170 0.048 1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.705 1.109 0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.032 0.829 0.692 1.00 0.00 H new ATOM 973 N GLN A 97 -0.283 1.971 -2.083 1.00 0.00 N ATOM 974 CA GLN A 97 0.190 3.241 -2.597 1.00 0.00 C ATOM 975 C GLN A 97 0.207 4.312 -1.516 1.00 0.00 C ATOM 976 O GLN A 97 -0.604 4.299 -0.603 1.00 0.00 O ATOM 977 CB GLN A 97 -0.719 3.701 -3.735 1.00 0.00 C ATOM 978 CG GLN A 97 -0.680 2.802 -4.956 1.00 0.00 C ATOM 979 CD GLN A 97 -1.164 3.486 -6.221 1.00 0.00 C ATOM 980 OE1 GLN A 97 -0.715 3.166 -7.320 1.00 0.00 O ATOM 981 NE2 GLN A 97 -2.089 4.419 -6.079 1.00 0.00 N ATOM 0 H GLN A 97 -1.238 2.004 -1.727 1.00 0.00 H new ATOM 0 HA GLN A 97 1.209 3.097 -2.955 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.744 3.755 -3.369 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.432 4.710 -4.030 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.341 2.452 -5.108 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.294 1.921 -4.770 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -2.436 4.656 -5.150 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.456 4.902 -6.899 1.00 0.00 H new ATOM 990 N VAL A 98 1.132 5.239 -1.643 1.00 0.00 N ATOM 991 CA VAL A 98 1.233 6.363 -0.733 1.00 0.00 C ATOM 992 C VAL A 98 0.488 7.566 -1.300 1.00 0.00 C ATOM 993 O VAL A 98 0.956 8.211 -2.241 1.00 0.00 O ATOM 994 CB VAL A 98 2.697 6.757 -0.525 1.00 0.00 C ATOM 995 CG1 VAL A 98 2.832 7.854 0.519 1.00 0.00 C ATOM 996 CG2 VAL A 98 3.547 5.550 -0.167 1.00 0.00 C ATOM 0 H VAL A 98 1.837 5.236 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 98 0.794 6.064 0.219 1.00 0.00 H new ATOM 0 HB VAL A 98 3.068 7.154 -1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.884 8.111 0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.279 8.735 0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.430 7.503 1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.582 5.863 -0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.174 5.103 0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.496 4.817 -0.972 1.00 0.00 H new ATOM 1006 N ILE A 99 -0.666 7.855 -0.736 1.00 0.00 N ATOM 1007 CA ILE A 99 -1.490 8.956 -1.194 1.00 0.00 C ATOM 1008 C ILE A 99 -1.390 10.161 -0.280 1.00 0.00 C ATOM 1009 O ILE A 99 -1.842 10.123 0.861 1.00 0.00 O ATOM 1010 CB ILE A 99 -2.977 8.560 -1.266 1.00 0.00 C ATOM 1011 CG1 ILE A 99 -3.209 7.537 -2.369 1.00 0.00 C ATOM 1012 CG2 ILE A 99 -3.856 9.783 -1.484 1.00 0.00 C ATOM 1013 CD1 ILE A 99 -4.665 7.172 -2.539 1.00 0.00 C ATOM 0 H ILE A 99 -1.059 7.336 0.050 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.114 9.208 -2.186 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.250 8.109 -0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.827 7.933 -3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.638 6.636 -2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.901 9.476 -1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -3.720 10.481 -0.658 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -3.578 10.269 -2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.765 6.439 -3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.045 6.748 -1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.237 8.065 -2.791 1.00 0.00 H new ATOM 1025 N SER A 100 -0.786 11.214 -0.770 1.00 0.00 N ATOM 1026 CA SER A 100 -1.002 12.520 -0.196 1.00 0.00 C ATOM 1027 C SER A 100 -1.387 13.472 -1.320 1.00 0.00 C ATOM 1028 O SER A 100 -0.530 14.066 -1.974 1.00 0.00 O ATOM 1029 CB SER A 100 0.244 13.003 0.556 1.00 0.00 C ATOM 1030 OG SER A 100 0.076 14.323 1.049 1.00 0.00 O ATOM 0 H SER A 100 -0.143 11.194 -1.562 1.00 0.00 H new ATOM 0 HA SER A 100 -1.808 12.480 0.537 1.00 0.00 H new ATOM 0 HB2 SER A 100 0.454 12.328 1.386 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.107 12.969 -0.109 1.00 0.00 H new ATOM 0 HG SER A 100 0.887 14.600 1.524 1.00 0.00 H new ATOM 1113 N PRO A 106 -2.399 11.836 4.130 1.00 0.00 N ATOM 1114 CA PRO A 106 -1.438 10.805 3.758 1.00 0.00 C ATOM 1115 C PRO A 106 -1.955 9.412 4.108 1.00 0.00 C ATOM 1116 O PRO A 106 -2.147 9.078 5.277 1.00 0.00 O ATOM 1117 CB PRO A 106 -0.186 11.139 4.579 1.00 0.00 C ATOM 1118 CG PRO A 106 -0.600 12.208 5.541 1.00 0.00 C ATOM 1119 CD PRO A 106 -1.771 12.906 4.914 1.00 0.00 C ATOM 0 HA PRO A 106 -1.247 10.792 2.685 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.181 10.259 5.107 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.623 11.485 3.935 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.873 11.779 6.505 1.00 0.00 H new ATOM 0 HG3 PRO A 106 0.217 12.906 5.723 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -2.450 13.311 5.664 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -1.457 13.739 4.285 1.00 0.00 H new ATOM 1127 N LYS A 107 -2.217 8.627 3.084 1.00 0.00 N ATOM 1128 CA LYS A 107 -2.708 7.269 3.253 1.00 0.00 C ATOM 1129 C LYS A 107 -1.842 6.291 2.488 1.00 0.00 C ATOM 1130 O LYS A 107 -1.311 6.628 1.439 1.00 0.00 O ATOM 1131 CB LYS A 107 -4.130 7.155 2.716 1.00 0.00 C ATOM 1132 CG LYS A 107 -5.171 7.909 3.515 1.00 0.00 C ATOM 1133 CD LYS A 107 -6.460 8.012 2.725 1.00 0.00 C ATOM 1134 CE LYS A 107 -6.283 8.912 1.520 1.00 0.00 C ATOM 1135 NZ LYS A 107 -7.582 9.306 0.912 1.00 0.00 N ATOM 0 H LYS A 107 -2.097 8.909 2.111 1.00 0.00 H new ATOM 0 HA LYS A 107 -2.683 7.036 4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -4.146 7.519 1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -4.409 6.102 2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -5.355 7.399 4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -4.803 8.906 3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.773 7.020 2.400 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.252 8.403 3.363 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.737 9.808 1.816 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.676 8.400 0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.434 10.107 0.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -7.976 8.502 0.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.246 9.585 1.662 1.00 0.00 H new ATOM 1149 N LEU A 108 -1.697 5.092 3.006 1.00 0.00 N ATOM 1150 CA LEU A 108 -1.146 4.007 2.216 1.00 0.00 C ATOM 1151 C LEU A 108 -2.296 3.123 1.773 1.00 0.00 C ATOM 1152 O LEU A 108 -2.764 2.292 2.544 1.00 0.00 O ATOM 1153 CB LEU A 108 -0.140 3.163 3.022 1.00 0.00 C ATOM 1154 CG LEU A 108 1.232 3.790 3.316 1.00 0.00 C ATOM 1155 CD1 LEU A 108 1.397 5.144 2.649 1.00 0.00 C ATOM 1156 CD2 LEU A 108 1.446 3.899 4.812 1.00 0.00 C ATOM 0 H LEU A 108 -1.950 4.842 3.962 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.613 4.428 1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.603 2.905 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.024 2.230 2.484 1.00 0.00 H new ATOM 0 HG LEU A 108 1.992 3.133 2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.381 5.548 2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.300 5.032 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.628 5.825 3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.421 4.345 5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.667 4.525 5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.404 2.906 5.259 1.00 0.00 H new ATOM 1168 N ASN A 109 -2.745 3.266 0.531 1.00 0.00 N ATOM 1169 CA ASN A 109 -3.884 2.460 0.081 1.00 0.00 C ATOM 1170 C ASN A 109 -3.468 1.333 -0.804 1.00 0.00 C ATOM 1171 O ASN A 109 -2.751 1.510 -1.770 1.00 0.00 O ATOM 1172 CB ASN A 109 -4.964 3.224 -0.674 1.00 0.00 C ATOM 1173 CG ASN A 109 -4.465 3.991 -1.875 1.00 0.00 C ATOM 1174 OD1 ASN A 109 -3.314 4.408 -1.937 1.00 0.00 O ATOM 1175 ND2 ASN A 109 -5.345 4.186 -2.849 1.00 0.00 N ATOM 0 H ASN A 109 -2.358 3.906 -0.163 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.301 2.103 1.023 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.729 2.519 -1.001 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.445 3.921 0.012 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -5.072 4.699 -3.687 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.294 3.823 -2.759 1.00 0.00 H new ATOM 1182 N ILE A 110 -3.970 0.181 -0.487 1.00 0.00 N ATOM 1183 CA ILE A 110 -3.807 -0.960 -1.334 1.00 0.00 C ATOM 1184 C ILE A 110 -4.764 -0.870 -2.494 1.00 0.00 C ATOM 1185 O ILE A 110 -5.972 -0.792 -2.300 1.00 0.00 O ATOM 1186 CB ILE A 110 -4.103 -2.237 -0.563 1.00 0.00 C ATOM 1187 CG1 ILE A 110 -3.401 -2.171 0.794 1.00 0.00 C ATOM 1188 CG2 ILE A 110 -3.666 -3.435 -1.378 1.00 0.00 C ATOM 1189 CD1 ILE A 110 -3.661 -3.356 1.690 1.00 0.00 C ATOM 0 H ILE A 110 -4.503 0.004 0.364 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.778 -0.979 -1.693 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.173 -2.341 -0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.327 -2.084 0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -3.719 -1.265 1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -3.879 -4.349 -0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.208 -3.449 -2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -2.596 -3.371 -1.574 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -3.125 -3.226 2.630 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -4.730 -3.434 1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.316 -4.266 1.199 1.00 0.00 H new ATOM 1201 N LEU A 111 -4.244 -0.876 -3.694 1.00 0.00 N ATOM 1202 CA LEU A 111 -5.098 -0.814 -4.853 1.00 0.00 C ATOM 1203 C LEU A 111 -5.339 -2.211 -5.397 1.00 0.00 C ATOM 1204 O LEU A 111 -6.195 -2.406 -6.255 1.00 0.00 O ATOM 1205 CB LEU A 111 -4.506 0.070 -5.956 1.00 0.00 C ATOM 1206 CG LEU A 111 -4.688 1.576 -5.758 1.00 0.00 C ATOM 1207 CD1 LEU A 111 -6.153 1.920 -5.545 1.00 0.00 C ATOM 1208 CD2 LEU A 111 -3.859 2.061 -4.592 1.00 0.00 C ATOM 0 H LEU A 111 -3.245 -0.923 -3.894 1.00 0.00 H new ATOM 0 HA LEU A 111 -6.042 -0.369 -4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -3.440 -0.143 -6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -4.959 -0.212 -6.906 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.346 2.081 -6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.258 2.996 -5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.730 1.608 -6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.523 1.403 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.001 3.134 -4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.171 1.545 -3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.806 1.854 -4.783 1.00 0.00 H new ATOM 1220 N GLU A 112 -4.606 -3.193 -4.876 1.00 0.00 N ATOM 1221 CA GLU A 112 -4.633 -4.519 -5.456 1.00 0.00 C ATOM 1222 C GLU A 112 -4.431 -5.563 -4.384 1.00 0.00 C ATOM 1223 O GLU A 112 -3.455 -5.520 -3.640 1.00 0.00 O ATOM 1224 CB GLU A 112 -3.555 -4.646 -6.538 1.00 0.00 C ATOM 1225 CG GLU A 112 -3.369 -6.058 -7.064 1.00 0.00 C ATOM 1226 CD GLU A 112 -2.330 -6.138 -8.165 1.00 0.00 C ATOM 1227 OE1 GLU A 112 -1.126 -6.003 -7.866 1.00 0.00 O ATOM 1228 OE2 GLU A 112 -2.713 -6.330 -9.339 1.00 0.00 O ATOM 0 H GLU A 112 -3.996 -3.091 -4.065 1.00 0.00 H new ATOM 0 HA GLU A 112 -5.608 -4.680 -5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -3.812 -3.990 -7.370 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.606 -4.292 -6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.074 -6.712 -6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.322 -6.430 -7.441 1.00 0.00 H new ATOM 1235 N ILE A 113 -5.378 -6.471 -4.293 1.00 0.00 N ATOM 1236 CA ILE A 113 -5.276 -7.586 -3.382 1.00 0.00 C ATOM 1237 C ILE A 113 -5.337 -8.880 -4.154 1.00 0.00 C ATOM 1238 O ILE A 113 -6.345 -9.183 -4.784 1.00 0.00 O ATOM 1239 CB ILE A 113 -6.399 -7.581 -2.329 1.00 0.00 C ATOM 1240 CG1 ILE A 113 -6.148 -6.496 -1.289 1.00 0.00 C ATOM 1241 CG2 ILE A 113 -6.522 -8.942 -1.663 1.00 0.00 C ATOM 1242 CD1 ILE A 113 -7.040 -6.632 -0.085 1.00 0.00 C ATOM 0 H ILE A 113 -6.235 -6.456 -4.846 1.00 0.00 H new ATOM 0 HA ILE A 113 -4.323 -7.493 -2.861 1.00 0.00 H new ATOM 0 HB ILE A 113 -7.340 -7.365 -2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -5.106 -6.536 -0.971 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -6.305 -5.518 -1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.322 -8.914 -0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -6.751 -9.696 -2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -5.582 -9.193 -1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -6.819 -5.834 0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -8.083 -6.563 -0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.865 -7.597 0.390 1.00 0.00 H new ATOM 1254 N VAL A 114 -4.268 -9.641 -4.119 1.00 0.00 N ATOM 1255 CA VAL A 114 -4.257 -10.916 -4.792 1.00 0.00 C ATOM 1256 C VAL A 114 -3.572 -11.965 -3.939 1.00 0.00 C ATOM 1257 O VAL A 114 -2.362 -11.924 -3.743 1.00 0.00 O ATOM 1258 CB VAL A 114 -3.575 -10.819 -6.175 1.00 0.00 C ATOM 1259 CG1 VAL A 114 -4.573 -10.380 -7.235 1.00 0.00 C ATOM 1260 CG2 VAL A 114 -2.408 -9.842 -6.123 1.00 0.00 C ATOM 0 H VAL A 114 -3.402 -9.401 -3.636 1.00 0.00 H new ATOM 0 HA VAL A 114 -5.293 -11.214 -4.949 1.00 0.00 H new ATOM 0 HB VAL A 114 -3.198 -11.807 -6.439 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -4.073 -10.318 -8.202 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -5.385 -11.105 -7.292 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -4.977 -9.402 -6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.938 -9.784 -7.105 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -2.772 -8.855 -5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.678 -10.186 -5.390 1.00 0.00 H new ATOM 1270 N LYS A 115 -4.368 -12.889 -3.405 1.00 0.00 N ATOM 1271 CA LYS A 115 -3.844 -13.924 -2.534 1.00 0.00 C ATOM 1272 C LYS A 115 -2.805 -14.746 -3.262 1.00 0.00 C ATOM 1273 O LYS A 115 -2.912 -14.986 -4.469 1.00 0.00 O ATOM 1274 CB LYS A 115 -4.946 -14.825 -1.965 1.00 0.00 C ATOM 1275 CG LYS A 115 -5.609 -15.741 -2.980 1.00 0.00 C ATOM 1276 CD LYS A 115 -5.981 -17.076 -2.349 1.00 0.00 C ATOM 1277 CE LYS A 115 -4.737 -17.834 -1.908 1.00 0.00 C ATOM 1278 NZ LYS A 115 -5.055 -19.130 -1.252 1.00 0.00 N ATOM 0 H LYS A 115 -5.375 -12.937 -3.563 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.375 -13.425 -1.686 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -4.521 -15.436 -1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -5.711 -14.196 -1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.503 -15.261 -3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.935 -15.907 -3.820 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.633 -16.908 -1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.543 -17.677 -3.064 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.102 -18.017 -2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.164 -17.214 -1.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -4.354 -19.844 -1.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -5.031 -19.011 -0.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -6.003 -19.443 -1.542 1.00 0.00 H new ATOM 1292 N THR A 116 -1.799 -15.138 -2.511 1.00 0.00 N ATOM 1293 CA THR A 116 -0.651 -15.850 -3.028 1.00 0.00 C ATOM 1294 C THR A 116 0.212 -14.934 -3.897 1.00 0.00 C ATOM 1295 O THR A 116 1.282 -14.495 -3.478 1.00 0.00 O ATOM 1296 CB THR A 116 -1.076 -17.089 -3.827 1.00 0.00 C ATOM 1297 OG1 THR A 116 -1.786 -17.997 -2.976 1.00 0.00 O ATOM 1298 CG2 THR A 116 0.134 -17.767 -4.417 1.00 0.00 C ATOM 0 H THR A 116 -1.755 -14.968 -1.506 1.00 0.00 H new ATOM 0 HA THR A 116 -0.060 -16.181 -2.174 1.00 0.00 H new ATOM 0 HB THR A 116 -1.733 -16.779 -4.640 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.056 -18.785 -3.492 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.180 -18.645 -4.982 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.652 -17.075 -5.081 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.807 -18.073 -3.616 1.00 0.00 H new