USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 549 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 84 HIS : no HD1:sc= 0.11 K(o=0.94,f=-3.1!) USER MOD Set 1.2: A 95 CYS SG : rot 27:sc= 0.828 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.316 USER MOD Single : A 80 ASN : amide:sc= -0.343 K(o=-0.34,f=-4.2!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot -86:sc= 0.781 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 165:sc= -0.0671 (180deg=-0.325) USER MOD Single : A 94 TYR OH : rot -63:sc= 0.455 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 117:sc= 0.258 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 110 ASN : amide:sc= -4.68! X(o=-4.7!,f=-4.5) USER MOD Single : A 113 GLN : amide:sc= -2.85 K(o=-2.9,f=-7.5!) USER MOD Single : A 119 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -0.618 K(o=-0.62,f=-2.8!) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 124 SER OG : rot -92:sc= 1.09 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.5) USER MOD Single : A 136 GLN : amide:sc= -0.254 X(o=-0.25,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 68 -4.047 5.875 3.408 1.00 0.00 N ATOM 60 CA GLY A 68 -2.938 5.020 3.790 1.00 0.00 C ATOM 61 C GLY A 68 -3.153 3.575 3.384 1.00 0.00 C ATOM 62 O GLY A 68 -4.219 3.008 3.626 1.00 0.00 O ATOM 0 HA2 GLY A 68 -2.022 5.391 3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.797 5.074 4.869 1.00 0.00 H new ATOM 66 N ILE A 69 -2.140 2.979 2.765 1.00 0.00 N ATOM 67 CA ILE A 69 -2.224 1.592 2.325 1.00 0.00 C ATOM 68 C ILE A 69 -0.912 0.856 2.575 1.00 0.00 C ATOM 69 O ILE A 69 0.124 1.476 2.819 1.00 0.00 O ATOM 70 CB ILE A 69 -2.575 1.497 0.828 1.00 0.00 C ATOM 71 CG1 ILE A 69 -1.421 2.029 -0.024 1.00 0.00 C ATOM 72 CG2 ILE A 69 -3.855 2.266 0.535 1.00 0.00 C ATOM 73 CD1 ILE A 69 -0.318 1.017 -0.246 1.00 0.00 C ATOM 0 H ILE A 69 -1.252 3.435 2.557 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.018 1.124 2.907 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.736 0.450 0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.811 2.348 -0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.001 2.912 0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.090 2.190 -0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.674 1.846 1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.719 3.314 0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.467 1.462 -0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.098 0.716 0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.723 0.143 -0.756 1.00 0.00 H new ATOM 85 N LEU A 70 -0.963 -0.470 2.512 1.00 0.00 N ATOM 86 CA LEU A 70 0.221 -1.293 2.730 1.00 0.00 C ATOM 87 C LEU A 70 0.280 -2.440 1.726 1.00 0.00 C ATOM 88 O LEU A 70 -0.670 -3.213 1.597 1.00 0.00 O ATOM 89 CB LEU A 70 0.227 -1.847 4.155 1.00 0.00 C ATOM 90 CG LEU A 70 0.971 -3.166 4.360 1.00 0.00 C ATOM 91 CD1 LEU A 70 2.464 -2.977 4.137 1.00 0.00 C ATOM 92 CD2 LEU A 70 0.704 -3.719 5.752 1.00 0.00 C ATOM 0 H LEU A 70 -1.812 -0.998 2.312 1.00 0.00 H new ATOM 0 HA LEU A 70 1.100 -0.665 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.669 -1.098 4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.806 -1.982 4.475 1.00 0.00 H new ATOM 0 HG LEU A 70 0.603 -3.886 3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.977 -3.927 4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.638 -2.627 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.847 -2.241 4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.242 -4.658 5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.043 -3.002 6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.365 -3.893 5.875 1.00 0.00 H new ATOM 104 N ILE A 71 1.401 -2.545 1.020 1.00 0.00 N ATOM 105 CA ILE A 71 1.584 -3.600 0.031 1.00 0.00 C ATOM 106 C ILE A 71 2.686 -4.565 0.454 1.00 0.00 C ATOM 107 O ILE A 71 3.708 -4.153 1.004 1.00 0.00 O ATOM 108 CB ILE A 71 1.928 -3.019 -1.354 1.00 0.00 C ATOM 109 CG1 ILE A 71 0.691 -2.376 -1.983 1.00 0.00 C ATOM 110 CG2 ILE A 71 2.485 -4.107 -2.260 1.00 0.00 C ATOM 111 CD1 ILE A 71 1.013 -1.431 -3.120 1.00 0.00 C ATOM 0 H ILE A 71 2.196 -1.913 1.115 1.00 0.00 H new ATOM 0 HA ILE A 71 0.639 -4.139 -0.035 1.00 0.00 H new ATOM 0 HB ILE A 71 2.690 -2.250 -1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.030 -3.161 -2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.143 -1.832 -1.213 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.723 -3.682 -3.235 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.389 -4.524 -1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.743 -4.896 -2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.089 -1.012 -3.518 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.649 -0.625 -2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.534 -1.974 -3.908 1.00 0.00 H new ATOM 123 N ARG A 72 2.473 -5.850 0.191 1.00 0.00 N ATOM 124 CA ARG A 72 3.449 -6.874 0.544 1.00 0.00 C ATOM 125 C ARG A 72 3.881 -7.661 -0.690 1.00 0.00 C ATOM 126 O ARG A 72 3.048 -8.097 -1.484 1.00 0.00 O ATOM 127 CB ARG A 72 2.866 -7.825 1.591 1.00 0.00 C ATOM 128 CG ARG A 72 2.671 -7.184 2.955 1.00 0.00 C ATOM 129 CD ARG A 72 2.722 -8.218 4.069 1.00 0.00 C ATOM 130 NE ARG A 72 4.078 -8.708 4.300 1.00 0.00 N ATOM 131 CZ ARG A 72 5.044 -7.971 4.838 1.00 0.00 C ATOM 132 NH1 ARG A 72 4.803 -6.718 5.199 1.00 0.00 N ATOM 133 NH2 ARG A 72 6.253 -8.487 5.017 1.00 0.00 N ATOM 0 H ARG A 72 1.633 -6.207 -0.265 1.00 0.00 H new ATOM 0 HA ARG A 72 4.325 -6.378 0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.907 -8.200 1.235 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.526 -8.686 1.695 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.443 -6.433 3.119 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.712 -6.666 2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.334 -7.780 4.988 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.072 -9.056 3.816 1.00 0.00 H new ATOM 0 HE ARG A 72 4.296 -9.668 4.034 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.874 -6.318 5.064 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.546 -6.154 5.612 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.442 -9.451 4.742 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.993 -7.920 5.430 1.00 0.00 H new ATOM 147 N GLY A 73 5.189 -7.838 -0.844 1.00 0.00 N ATOM 148 CA GLY A 73 5.709 -8.572 -1.984 1.00 0.00 C ATOM 149 C GLY A 73 5.935 -7.684 -3.191 1.00 0.00 C ATOM 150 O GLY A 73 5.121 -7.659 -4.114 1.00 0.00 O ATOM 0 H GLY A 73 5.898 -7.487 -0.201 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.649 -9.049 -1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.013 -9.368 -2.248 1.00 0.00 H new ATOM 154 N LEU A 74 7.043 -6.951 -3.185 1.00 0.00 N ATOM 155 CA LEU A 74 7.374 -6.055 -4.288 1.00 0.00 C ATOM 156 C LEU A 74 8.510 -6.626 -5.131 1.00 0.00 C ATOM 157 O LEU A 74 9.375 -7.353 -4.641 1.00 0.00 O ATOM 158 CB LEU A 74 7.764 -4.677 -3.752 1.00 0.00 C ATOM 159 CG LEU A 74 6.705 -3.958 -2.915 1.00 0.00 C ATOM 160 CD1 LEU A 74 7.302 -2.737 -2.232 1.00 0.00 C ATOM 161 CD2 LEU A 74 5.520 -3.559 -3.783 1.00 0.00 C ATOM 0 H LEU A 74 7.727 -6.959 -2.429 1.00 0.00 H new ATOM 0 HA LEU A 74 6.492 -5.955 -4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.664 -4.786 -3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.024 -4.040 -4.598 1.00 0.00 H new ATOM 0 HG LEU A 74 6.352 -4.643 -2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.534 -2.238 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.117 -3.048 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.684 -2.049 -2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.776 -3.049 -3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.858 -2.891 -4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.076 -4.451 -4.225 1.00 0.00 H new ATOM 173 N PRO A 75 8.512 -6.287 -6.429 1.00 0.00 N ATOM 174 CA PRO A 75 9.538 -6.752 -7.366 1.00 0.00 C ATOM 175 C PRO A 75 10.899 -6.118 -7.099 1.00 0.00 C ATOM 176 O PRO A 75 10.987 -5.040 -6.514 1.00 0.00 O ATOM 177 CB PRO A 75 9.000 -6.309 -8.729 1.00 0.00 C ATOM 178 CG PRO A 75 8.119 -5.146 -8.428 1.00 0.00 C ATOM 179 CD PRO A 75 7.513 -5.424 -7.080 1.00 0.00 C ATOM 0 HA PRO A 75 9.705 -7.826 -7.286 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.810 -6.028 -9.402 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.445 -7.111 -9.215 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.689 -4.217 -8.415 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.346 -5.035 -9.188 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.347 -4.506 -6.517 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.548 -5.923 -7.168 1.00 0.00 H new ATOM 187 N GLY A 76 11.958 -6.796 -7.531 1.00 0.00 N ATOM 188 CA GLY A 76 13.300 -6.282 -7.329 1.00 0.00 C ATOM 189 C GLY A 76 13.527 -4.959 -8.032 1.00 0.00 C ATOM 190 O GLY A 76 14.467 -4.231 -7.712 1.00 0.00 O ATOM 0 H GLY A 76 11.911 -7.692 -8.017 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.481 -6.158 -6.261 1.00 0.00 H new ATOM 0 HA3 GLY A 76 14.024 -7.012 -7.693 1.00 0.00 H new ATOM 194 N ASP A 77 12.666 -4.647 -8.994 1.00 0.00 N ATOM 195 CA ASP A 77 12.777 -3.403 -9.746 1.00 0.00 C ATOM 196 C ASP A 77 11.740 -2.388 -9.274 1.00 0.00 C ATOM 197 O ASP A 77 11.498 -1.378 -9.935 1.00 0.00 O ATOM 198 CB ASP A 77 12.603 -3.669 -11.243 1.00 0.00 C ATOM 199 CG ASP A 77 13.293 -2.626 -12.100 1.00 0.00 C ATOM 200 OD1 ASP A 77 14.508 -2.410 -11.908 1.00 0.00 O ATOM 201 OD2 ASP A 77 12.618 -2.024 -12.962 1.00 0.00 O ATOM 0 H ASP A 77 11.883 -5.239 -9.272 1.00 0.00 H new ATOM 0 HA ASP A 77 13.770 -2.990 -9.571 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.003 -4.654 -11.483 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.540 -3.688 -11.485 1.00 0.00 H new ATOM 206 N VAL A 78 11.130 -2.664 -8.125 1.00 0.00 N ATOM 207 CA VAL A 78 10.120 -1.775 -7.564 1.00 0.00 C ATOM 208 C VAL A 78 10.729 -0.438 -7.156 1.00 0.00 C ATOM 209 O VAL A 78 11.476 -0.354 -6.181 1.00 0.00 O ATOM 210 CB VAL A 78 9.434 -2.409 -6.339 1.00 0.00 C ATOM 211 CG1 VAL A 78 10.436 -2.616 -5.213 1.00 0.00 C ATOM 212 CG2 VAL A 78 8.270 -1.546 -5.876 1.00 0.00 C ATOM 0 H VAL A 78 11.318 -3.496 -7.565 1.00 0.00 H new ATOM 0 HA VAL A 78 9.376 -1.609 -8.343 1.00 0.00 H new ATOM 0 HB VAL A 78 9.042 -3.384 -6.627 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.933 -3.065 -4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.234 -3.277 -5.553 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.860 -1.655 -4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.796 -2.008 -5.010 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.637 -0.556 -5.604 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.542 -1.454 -6.682 1.00 0.00 H new ATOM 222 N THR A 79 10.404 0.608 -7.910 1.00 0.00 N ATOM 223 CA THR A 79 10.919 1.942 -7.628 1.00 0.00 C ATOM 224 C THR A 79 9.788 2.912 -7.310 1.00 0.00 C ATOM 225 O THR A 79 8.613 2.588 -7.480 1.00 0.00 O ATOM 226 CB THR A 79 11.733 2.492 -8.815 1.00 0.00 C ATOM 227 OG1 THR A 79 12.221 3.803 -8.509 1.00 0.00 O ATOM 228 CG2 THR A 79 10.884 2.543 -10.076 1.00 0.00 C ATOM 0 H THR A 79 9.787 0.557 -8.720 1.00 0.00 H new ATOM 0 HA THR A 79 11.572 1.852 -6.760 1.00 0.00 H new ATOM 0 HB THR A 79 12.576 1.823 -8.990 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.739 4.145 -9.268 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.480 2.935 -10.900 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.538 1.539 -10.323 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.024 3.192 -9.910 1.00 0.00 H new ATOM 236 N ASN A 80 10.149 4.105 -6.848 1.00 0.00 N ATOM 237 CA ASN A 80 9.163 5.123 -6.505 1.00 0.00 C ATOM 238 C ASN A 80 8.260 5.427 -7.696 1.00 0.00 C ATOM 239 O ASN A 80 7.090 5.772 -7.528 1.00 0.00 O ATOM 240 CB ASN A 80 9.861 6.403 -6.040 1.00 0.00 C ATOM 241 CG ASN A 80 10.702 6.184 -4.797 1.00 0.00 C ATOM 242 OD1 ASN A 80 11.254 5.103 -4.590 1.00 0.00 O ATOM 243 ND2 ASN A 80 10.802 7.212 -3.962 1.00 0.00 N ATOM 0 H ASN A 80 11.117 4.390 -6.703 1.00 0.00 H new ATOM 0 HA ASN A 80 8.547 4.738 -5.693 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.495 6.780 -6.843 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.112 7.169 -5.839 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.354 7.124 -3.109 1.00 0.00 H new ATOM 0 HD22 ASN A 80 10.327 8.089 -4.174 1.00 0.00 H new ATOM 250 N GLN A 81 8.811 5.297 -8.899 1.00 0.00 N ATOM 251 CA GLN A 81 8.054 5.558 -10.118 1.00 0.00 C ATOM 252 C GLN A 81 6.919 4.553 -10.280 1.00 0.00 C ATOM 253 O GLN A 81 5.850 4.888 -10.788 1.00 0.00 O ATOM 254 CB GLN A 81 8.977 5.504 -11.337 1.00 0.00 C ATOM 255 CG GLN A 81 8.371 6.124 -12.586 1.00 0.00 C ATOM 256 CD GLN A 81 8.509 7.633 -12.614 1.00 0.00 C ATOM 257 OE1 GLN A 81 9.605 8.165 -12.793 1.00 0.00 O ATOM 258 NE2 GLN A 81 7.394 8.332 -12.435 1.00 0.00 N ATOM 0 H GLN A 81 9.778 5.013 -9.055 1.00 0.00 H new ATOM 0 HA GLN A 81 7.622 6.556 -10.041 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.908 6.019 -11.101 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.232 4.465 -11.544 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.854 5.702 -13.467 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.315 5.858 -12.643 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.507 7.849 -12.290 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.424 9.352 -12.443 1.00 0.00 H new ATOM 267 N GLU A 82 7.159 3.320 -9.844 1.00 0.00 N ATOM 268 CA GLU A 82 6.156 2.266 -9.942 1.00 0.00 C ATOM 269 C GLU A 82 4.955 2.574 -9.052 1.00 0.00 C ATOM 270 O GLU A 82 3.806 2.446 -9.474 1.00 0.00 O ATOM 271 CB GLU A 82 6.762 0.917 -9.552 1.00 0.00 C ATOM 272 CG GLU A 82 5.759 -0.225 -9.556 1.00 0.00 C ATOM 273 CD GLU A 82 4.893 -0.245 -8.311 1.00 0.00 C ATOM 274 OE1 GLU A 82 5.330 -0.825 -7.295 1.00 0.00 O ATOM 275 OE2 GLU A 82 3.780 0.319 -8.353 1.00 0.00 O ATOM 0 H GLU A 82 8.039 3.027 -9.420 1.00 0.00 H new ATOM 0 HA GLU A 82 5.816 2.217 -10.977 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.573 0.680 -10.241 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.202 1.000 -8.558 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.122 -0.141 -10.436 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.292 -1.172 -9.638 1.00 0.00 H new ATOM 282 N VAL A 83 5.231 2.978 -7.816 1.00 0.00 N ATOM 283 CA VAL A 83 4.174 3.304 -6.865 1.00 0.00 C ATOM 284 C VAL A 83 3.456 4.589 -7.261 1.00 0.00 C ATOM 285 O VAL A 83 2.234 4.689 -7.152 1.00 0.00 O ATOM 286 CB VAL A 83 4.732 3.460 -5.438 1.00 0.00 C ATOM 287 CG1 VAL A 83 5.302 2.140 -4.940 1.00 0.00 C ATOM 288 CG2 VAL A 83 5.787 4.555 -5.395 1.00 0.00 C ATOM 0 H VAL A 83 6.177 3.087 -7.450 1.00 0.00 H new ATOM 0 HA VAL A 83 3.466 2.475 -6.882 1.00 0.00 H new ATOM 0 HB VAL A 83 3.915 3.748 -4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.692 2.270 -3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.516 1.385 -4.932 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.107 1.819 -5.601 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.170 4.651 -4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.605 4.299 -6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.343 5.500 -5.706 1.00 0.00 H new ATOM 298 N HIS A 84 4.224 5.572 -7.721 1.00 0.00 N ATOM 299 CA HIS A 84 3.661 6.853 -8.135 1.00 0.00 C ATOM 300 C HIS A 84 2.729 6.675 -9.330 1.00 0.00 C ATOM 301 O HIS A 84 1.610 7.189 -9.339 1.00 0.00 O ATOM 302 CB HIS A 84 4.778 7.836 -8.485 1.00 0.00 C ATOM 303 CG HIS A 84 5.258 8.638 -7.315 1.00 0.00 C ATOM 304 ND1 HIS A 84 4.991 9.982 -7.164 1.00 0.00 N ATOM 305 CD2 HIS A 84 5.992 8.278 -6.236 1.00 0.00 C ATOM 306 CE1 HIS A 84 5.541 10.415 -6.043 1.00 0.00 C ATOM 307 NE2 HIS A 84 6.154 9.400 -5.461 1.00 0.00 N ATOM 0 H HIS A 84 5.237 5.506 -7.816 1.00 0.00 H new ATOM 0 HA HIS A 84 3.083 7.255 -7.303 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.618 7.284 -8.906 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.423 8.516 -9.260 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.378 7.292 -6.024 1.00 0.00 H new ATOM 0 HE1 HIS A 84 5.497 11.426 -5.667 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.665 9.443 -4.579 1.00 0.00 H new ATOM 316 N ASP A 85 3.199 5.947 -10.337 1.00 0.00 N ATOM 317 CA ASP A 85 2.408 5.702 -11.537 1.00 0.00 C ATOM 318 C ASP A 85 1.164 4.881 -11.210 1.00 0.00 C ATOM 319 O ASP A 85 0.092 5.108 -11.773 1.00 0.00 O ATOM 320 CB ASP A 85 3.249 4.978 -12.589 1.00 0.00 C ATOM 321 CG ASP A 85 2.689 5.138 -13.989 1.00 0.00 C ATOM 322 OD1 ASP A 85 2.352 6.280 -14.367 1.00 0.00 O ATOM 323 OD2 ASP A 85 2.589 4.122 -14.707 1.00 0.00 O ATOM 0 H ASP A 85 4.124 5.516 -10.346 1.00 0.00 H new ATOM 0 HA ASP A 85 2.091 6.666 -11.936 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.268 5.363 -12.563 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.302 3.918 -12.341 1.00 0.00 H new ATOM 328 N LEU A 86 1.314 3.927 -10.299 1.00 0.00 N ATOM 329 CA LEU A 86 0.203 3.071 -9.897 1.00 0.00 C ATOM 330 C LEU A 86 -0.900 3.887 -9.231 1.00 0.00 C ATOM 331 O LEU A 86 -2.086 3.667 -9.479 1.00 0.00 O ATOM 332 CB LEU A 86 0.693 1.980 -8.943 1.00 0.00 C ATOM 333 CG LEU A 86 -0.380 1.045 -8.386 1.00 0.00 C ATOM 334 CD1 LEU A 86 -1.025 0.243 -9.506 1.00 0.00 C ATOM 335 CD2 LEU A 86 0.214 0.116 -7.337 1.00 0.00 C ATOM 0 H LEU A 86 2.194 3.726 -9.824 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.206 2.604 -10.793 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.437 1.377 -9.464 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.200 2.459 -8.105 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.151 1.652 -7.911 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.786 -0.417 -9.089 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.487 0.923 -10.221 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.265 -0.353 -10.011 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.564 -0.542 -6.951 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.006 -0.483 -7.788 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.627 0.707 -6.520 1.00 0.00 H new ATOM 347 N LEU A 87 -0.501 4.831 -8.386 1.00 0.00 N ATOM 348 CA LEU A 87 -1.456 5.683 -7.685 1.00 0.00 C ATOM 349 C LEU A 87 -1.325 7.134 -8.137 1.00 0.00 C ATOM 350 O LEU A 87 -1.510 8.060 -7.347 1.00 0.00 O ATOM 351 CB LEU A 87 -1.242 5.587 -6.173 1.00 0.00 C ATOM 352 CG LEU A 87 -1.921 4.409 -5.473 1.00 0.00 C ATOM 353 CD1 LEU A 87 -1.262 4.135 -4.130 1.00 0.00 C ATOM 354 CD2 LEU A 87 -3.408 4.680 -5.295 1.00 0.00 C ATOM 0 H LEU A 87 0.476 5.026 -8.169 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.460 5.335 -7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.171 5.530 -5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.599 6.510 -5.716 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.806 3.523 -6.098 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.758 3.294 -3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.210 3.896 -4.283 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.345 5.018 -3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.875 3.831 -4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.545 5.577 -4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.871 4.826 -6.271 1.00 0.00 H new ATOM 366 N SER A 88 -1.008 7.325 -9.413 1.00 0.00 N ATOM 367 CA SER A 88 -0.851 8.663 -9.970 1.00 0.00 C ATOM 368 C SER A 88 -2.207 9.338 -10.154 1.00 0.00 C ATOM 369 O SER A 88 -2.401 10.486 -9.754 1.00 0.00 O ATOM 370 CB SER A 88 -0.116 8.598 -11.310 1.00 0.00 C ATOM 371 OG SER A 88 -0.819 7.792 -12.239 1.00 0.00 O ATOM 0 H SER A 88 -0.855 6.570 -10.081 1.00 0.00 H new ATOM 0 HA SER A 88 -0.262 9.254 -9.269 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.002 9.604 -11.713 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.886 8.196 -11.160 1.00 0.00 H new ATOM 0 HG SER A 88 -0.561 6.854 -12.120 1.00 0.00 H new ATOM 377 N ASP A 89 -3.142 8.616 -10.762 1.00 0.00 N ATOM 378 CA ASP A 89 -4.481 9.142 -10.998 1.00 0.00 C ATOM 379 C ASP A 89 -4.976 9.931 -9.790 1.00 0.00 C ATOM 380 O ASP A 89 -5.648 10.952 -9.935 1.00 0.00 O ATOM 381 CB ASP A 89 -5.452 8.003 -11.312 1.00 0.00 C ATOM 382 CG ASP A 89 -5.356 7.541 -12.753 1.00 0.00 C ATOM 383 OD1 ASP A 89 -4.233 7.230 -13.203 1.00 0.00 O ATOM 384 OD2 ASP A 89 -6.404 7.490 -13.430 1.00 0.00 O ATOM 0 H ASP A 89 -2.997 7.665 -11.100 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.434 9.815 -11.854 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -5.247 7.162 -10.649 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.471 8.331 -11.106 1.00 0.00 H new ATOM 389 N TYR A 90 -4.641 9.449 -8.598 1.00 0.00 N ATOM 390 CA TYR A 90 -5.055 10.107 -7.364 1.00 0.00 C ATOM 391 C TYR A 90 -3.985 11.081 -6.881 1.00 0.00 C ATOM 392 O TYR A 90 -2.892 11.148 -7.443 1.00 0.00 O ATOM 393 CB TYR A 90 -5.342 9.068 -6.279 1.00 0.00 C ATOM 394 CG TYR A 90 -6.200 7.917 -6.754 1.00 0.00 C ATOM 395 CD1 TYR A 90 -5.627 6.775 -7.299 1.00 0.00 C ATOM 396 CD2 TYR A 90 -7.585 7.973 -6.658 1.00 0.00 C ATOM 397 CE1 TYR A 90 -6.407 5.722 -7.735 1.00 0.00 C ATOM 398 CE2 TYR A 90 -8.374 6.924 -7.090 1.00 0.00 C ATOM 399 CZ TYR A 90 -7.780 5.801 -7.628 1.00 0.00 C ATOM 400 OH TYR A 90 -8.561 4.754 -8.060 1.00 0.00 O ATOM 0 H TYR A 90 -4.084 8.606 -8.460 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.966 10.669 -7.570 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.397 8.675 -5.905 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -5.838 9.558 -5.441 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -4.552 6.709 -7.383 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.053 8.851 -6.239 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.945 4.842 -8.157 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.449 6.983 -7.007 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.506 4.968 -7.913 1.00 0.00 H new ATOM 410 N GLU A 91 -4.308 11.834 -5.834 1.00 0.00 N ATOM 411 CA GLU A 91 -3.375 12.805 -5.275 1.00 0.00 C ATOM 412 C GLU A 91 -2.463 12.150 -4.242 1.00 0.00 C ATOM 413 O GLU A 91 -2.896 11.814 -3.139 1.00 0.00 O ATOM 414 CB GLU A 91 -4.137 13.968 -4.635 1.00 0.00 C ATOM 415 CG GLU A 91 -4.498 15.071 -5.615 1.00 0.00 C ATOM 416 CD GLU A 91 -5.324 14.567 -6.782 1.00 0.00 C ATOM 417 OE1 GLU A 91 -6.325 13.861 -6.541 1.00 0.00 O ATOM 418 OE2 GLU A 91 -4.969 14.880 -7.938 1.00 0.00 O ATOM 0 H GLU A 91 -5.208 11.790 -5.356 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.758 13.188 -6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.050 13.586 -4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.532 14.390 -3.833 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.053 15.850 -5.092 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.584 15.530 -5.993 1.00 0.00 H new ATOM 425 N LEU A 92 -1.198 11.971 -4.607 1.00 0.00 N ATOM 426 CA LEU A 92 -0.223 11.356 -3.713 1.00 0.00 C ATOM 427 C LEU A 92 0.284 12.362 -2.685 1.00 0.00 C ATOM 428 O LEU A 92 1.225 13.112 -2.946 1.00 0.00 O ATOM 429 CB LEU A 92 0.951 10.794 -4.515 1.00 0.00 C ATOM 430 CG LEU A 92 0.672 9.516 -5.307 1.00 0.00 C ATOM 431 CD1 LEU A 92 1.766 9.275 -6.336 1.00 0.00 C ATOM 432 CD2 LEU A 92 0.548 8.323 -4.370 1.00 0.00 C ATOM 0 H LEU A 92 -0.824 12.243 -5.516 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.716 10.541 -3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.291 11.562 -5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.774 10.599 -3.828 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.274 9.639 -5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.550 8.361 -6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.807 10.117 -7.027 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.726 9.174 -5.830 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.350 7.423 -4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.477 8.199 -3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.272 8.492 -3.672 1.00 0.00 H new ATOM 444 N LYS A 93 -0.344 12.372 -1.514 1.00 0.00 N ATOM 445 CA LYS A 93 0.045 13.283 -0.444 1.00 0.00 C ATOM 446 C LYS A 93 1.404 12.899 0.131 1.00 0.00 C ATOM 447 O LYS A 93 2.249 13.759 0.380 1.00 0.00 O ATOM 448 CB LYS A 93 -1.010 13.279 0.666 1.00 0.00 C ATOM 449 CG LYS A 93 -2.231 14.123 0.347 1.00 0.00 C ATOM 450 CD LYS A 93 -2.909 13.663 -0.933 1.00 0.00 C ATOM 451 CE LYS A 93 -4.048 14.592 -1.326 1.00 0.00 C ATOM 452 NZ LYS A 93 -3.555 15.946 -1.700 1.00 0.00 N ATOM 0 H LYS A 93 -1.125 11.759 -1.282 1.00 0.00 H new ATOM 0 HA LYS A 93 0.119 14.286 -0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.327 12.253 0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.557 13.644 1.588 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.938 14.068 1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.936 15.168 0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.177 13.622 -1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.293 12.652 -0.799 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.596 14.161 -2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.750 14.677 -0.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.307 16.464 -2.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.285 16.467 -0.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.728 15.854 -2.324 1.00 0.00 H new ATOM 466 N TYR A 94 1.609 11.602 0.337 1.00 0.00 N ATOM 467 CA TYR A 94 2.866 11.105 0.883 1.00 0.00 C ATOM 468 C TYR A 94 3.297 9.823 0.177 1.00 0.00 C ATOM 469 O TYR A 94 2.497 8.906 -0.012 1.00 0.00 O ATOM 470 CB TYR A 94 2.729 10.851 2.385 1.00 0.00 C ATOM 471 CG TYR A 94 3.878 10.064 2.974 1.00 0.00 C ATOM 472 CD1 TYR A 94 5.195 10.398 2.684 1.00 0.00 C ATOM 473 CD2 TYR A 94 3.646 8.985 3.818 1.00 0.00 C ATOM 474 CE1 TYR A 94 6.248 9.681 3.219 1.00 0.00 C ATOM 475 CE2 TYR A 94 4.693 8.263 4.359 1.00 0.00 C ATOM 476 CZ TYR A 94 5.992 8.615 4.056 1.00 0.00 C ATOM 477 OH TYR A 94 7.037 7.898 4.591 1.00 0.00 O ATOM 0 H TYR A 94 0.921 10.877 0.134 1.00 0.00 H new ATOM 0 HA TYR A 94 3.630 11.865 0.718 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.653 11.808 2.901 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.799 10.314 2.571 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.399 11.232 2.029 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.630 8.706 4.055 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.266 9.954 2.983 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.495 7.428 5.015 1.00 0.00 H new ATOM 0 HH TYR A 94 7.540 7.465 3.870 1.00 0.00 H new ATOM 487 N CYS A 95 4.567 9.767 -0.210 1.00 0.00 N ATOM 488 CA CYS A 95 5.106 8.598 -0.896 1.00 0.00 C ATOM 489 C CYS A 95 6.230 7.962 -0.084 1.00 0.00 C ATOM 490 O CYS A 95 7.158 8.644 0.352 1.00 0.00 O ATOM 491 CB CYS A 95 5.620 8.987 -2.283 1.00 0.00 C ATOM 492 SG CYS A 95 7.089 10.041 -2.258 1.00 0.00 S ATOM 0 H CYS A 95 5.242 10.517 -0.060 1.00 0.00 H new ATOM 0 HA CYS A 95 4.303 7.869 -1.005 1.00 0.00 H new ATOM 0 HB2 CYS A 95 5.847 8.079 -2.842 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.825 9.503 -2.822 1.00 0.00 H new ATOM 0 HG CYS A 95 7.765 9.817 -1.171 1.00 0.00 H new ATOM 498 N PHE A 96 6.139 6.652 0.116 1.00 0.00 N ATOM 499 CA PHE A 96 7.147 5.924 0.878 1.00 0.00 C ATOM 500 C PHE A 96 7.408 4.552 0.263 1.00 0.00 C ATOM 501 O PHE A 96 6.498 3.732 0.138 1.00 0.00 O ATOM 502 CB PHE A 96 6.701 5.766 2.333 1.00 0.00 C ATOM 503 CG PHE A 96 7.831 5.466 3.277 1.00 0.00 C ATOM 504 CD1 PHE A 96 8.899 6.340 3.399 1.00 0.00 C ATOM 505 CD2 PHE A 96 7.824 4.311 4.042 1.00 0.00 C ATOM 506 CE1 PHE A 96 9.940 6.066 4.266 1.00 0.00 C ATOM 507 CE2 PHE A 96 8.862 4.032 4.911 1.00 0.00 C ATOM 508 CZ PHE A 96 9.921 4.911 5.024 1.00 0.00 C ATOM 0 H PHE A 96 5.378 6.073 -0.239 1.00 0.00 H new ATOM 0 HA PHE A 96 8.073 6.498 0.849 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.203 6.681 2.654 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.965 4.965 2.394 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.918 7.245 2.810 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.998 3.621 3.958 1.00 0.00 H new ATOM 0 HE1 PHE A 96 10.768 6.754 4.351 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.845 3.128 5.501 1.00 0.00 H new ATOM 0 HZ PHE A 96 10.733 4.696 5.703 1.00 0.00 H new ATOM 518 N VAL A 97 8.658 4.310 -0.121 1.00 0.00 N ATOM 519 CA VAL A 97 9.040 3.038 -0.723 1.00 0.00 C ATOM 520 C VAL A 97 10.141 2.358 0.082 1.00 0.00 C ATOM 521 O VAL A 97 11.240 2.893 0.226 1.00 0.00 O ATOM 522 CB VAL A 97 9.521 3.226 -2.174 1.00 0.00 C ATOM 523 CG1 VAL A 97 10.162 1.948 -2.694 1.00 0.00 C ATOM 524 CG2 VAL A 97 8.367 3.656 -3.067 1.00 0.00 C ATOM 0 H VAL A 97 9.423 4.978 -0.026 1.00 0.00 H new ATOM 0 HA VAL A 97 8.151 2.407 -0.722 1.00 0.00 H new ATOM 0 HB VAL A 97 10.274 4.014 -2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.496 2.100 -3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.017 1.689 -2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.433 1.138 -2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.725 3.784 -4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.589 2.893 -3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.959 4.600 -2.705 1.00 0.00 H new ATOM 534 N ASP A 98 9.839 1.175 0.605 1.00 0.00 N ATOM 535 CA ASP A 98 10.804 0.420 1.396 1.00 0.00 C ATOM 536 C ASP A 98 11.141 -0.906 0.720 1.00 0.00 C ATOM 537 O ASP A 98 10.378 -1.869 0.800 1.00 0.00 O ATOM 538 CB ASP A 98 10.256 0.164 2.801 1.00 0.00 C ATOM 539 CG ASP A 98 11.228 -0.611 3.669 1.00 0.00 C ATOM 540 OD1 ASP A 98 11.755 -1.639 3.196 1.00 0.00 O ATOM 541 OD2 ASP A 98 11.460 -0.190 4.822 1.00 0.00 O ATOM 0 H ASP A 98 8.934 0.718 0.496 1.00 0.00 H new ATOM 0 HA ASP A 98 11.716 1.012 1.472 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.028 1.117 3.278 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.319 -0.388 2.727 1.00 0.00 H new ATOM 546 N LYS A 99 12.289 -0.948 0.052 1.00 0.00 N ATOM 547 CA LYS A 99 12.729 -2.154 -0.639 1.00 0.00 C ATOM 548 C LYS A 99 13.231 -3.197 0.354 1.00 0.00 C ATOM 549 O LYS A 99 12.906 -4.380 0.244 1.00 0.00 O ATOM 550 CB LYS A 99 13.834 -1.817 -1.643 1.00 0.00 C ATOM 551 CG LYS A 99 15.121 -1.340 -0.994 1.00 0.00 C ATOM 552 CD LYS A 99 16.163 -0.962 -2.033 1.00 0.00 C ATOM 553 CE LYS A 99 16.943 -2.178 -2.509 1.00 0.00 C ATOM 554 NZ LYS A 99 17.944 -1.822 -3.553 1.00 0.00 N ATOM 0 H LYS A 99 12.932 -0.160 -0.025 1.00 0.00 H new ATOM 0 HA LYS A 99 11.875 -2.569 -1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.047 -2.700 -2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.472 -1.046 -2.323 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.912 -0.480 -0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.517 -2.125 -0.349 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.674 -0.486 -2.883 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.851 -0.230 -1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.451 -2.638 -1.661 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.251 -2.920 -2.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.454 -2.678 -3.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.458 -1.406 -4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.620 -1.133 -3.165 1.00 0.00 H new ATOM 568 N TYR A 100 14.023 -2.752 1.323 1.00 0.00 N ATOM 569 CA TYR A 100 14.571 -3.648 2.335 1.00 0.00 C ATOM 570 C TYR A 100 13.555 -4.718 2.722 1.00 0.00 C ATOM 571 O TYR A 100 13.744 -5.902 2.440 1.00 0.00 O ATOM 572 CB TYR A 100 14.990 -2.855 3.575 1.00 0.00 C ATOM 573 CG TYR A 100 15.778 -1.605 3.256 1.00 0.00 C ATOM 574 CD1 TYR A 100 16.975 -1.675 2.554 1.00 0.00 C ATOM 575 CD2 TYR A 100 15.327 -0.354 3.658 1.00 0.00 C ATOM 576 CE1 TYR A 100 17.699 -0.536 2.261 1.00 0.00 C ATOM 577 CE2 TYR A 100 16.044 0.791 3.368 1.00 0.00 C ATOM 578 CZ TYR A 100 17.229 0.695 2.670 1.00 0.00 C ATOM 579 OH TYR A 100 17.947 1.833 2.381 1.00 0.00 O ATOM 0 H TYR A 100 14.300 -1.776 1.429 1.00 0.00 H new ATOM 0 HA TYR A 100 15.447 -4.140 1.913 1.00 0.00 H new ATOM 0 HB2 TYR A 100 14.098 -2.579 4.138 1.00 0.00 H new ATOM 0 HB3 TYR A 100 15.589 -3.497 4.221 1.00 0.00 H new ATOM 0 HD1 TYR A 100 17.346 -2.637 2.232 1.00 0.00 H new ATOM 0 HD2 TYR A 100 14.400 -0.275 4.207 1.00 0.00 H new ATOM 0 HE1 TYR A 100 18.628 -0.608 1.715 1.00 0.00 H new ATOM 0 HE2 TYR A 100 15.678 1.756 3.686 1.00 0.00 H new ATOM 0 HH TYR A 100 17.478 2.616 2.738 1.00 0.00 H new ATOM 589 N LYS A 101 12.475 -4.294 3.369 1.00 0.00 N ATOM 590 CA LYS A 101 11.426 -5.213 3.794 1.00 0.00 C ATOM 591 C LYS A 101 10.674 -5.774 2.591 1.00 0.00 C ATOM 592 O LYS A 101 10.253 -6.930 2.594 1.00 0.00 O ATOM 593 CB LYS A 101 10.449 -4.505 4.735 1.00 0.00 C ATOM 594 CG LYS A 101 11.124 -3.832 5.918 1.00 0.00 C ATOM 595 CD LYS A 101 11.351 -4.809 7.060 1.00 0.00 C ATOM 596 CE LYS A 101 12.056 -4.142 8.232 1.00 0.00 C ATOM 597 NZ LYS A 101 11.092 -3.491 9.161 1.00 0.00 N ATOM 0 H LYS A 101 12.303 -3.318 3.611 1.00 0.00 H new ATOM 0 HA LYS A 101 11.896 -6.041 4.325 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.892 -3.757 4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.724 -5.230 5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.079 -3.411 5.602 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.509 -3.002 6.265 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.394 -5.212 7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.946 -5.651 6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.639 -4.885 8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.759 -3.398 7.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 11.611 -3.048 9.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.553 -2.764 8.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.437 -4.205 9.539 1.00 0.00 H new ATOM 611 N GLY A 102 10.510 -4.947 1.563 1.00 0.00 N ATOM 612 CA GLY A 102 9.810 -5.379 0.368 1.00 0.00 C ATOM 613 C GLY A 102 8.375 -4.893 0.329 1.00 0.00 C ATOM 614 O GLY A 102 7.505 -5.544 -0.251 1.00 0.00 O ATOM 0 H GLY A 102 10.850 -3.986 1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.339 -5.012 -0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.823 -6.468 0.317 1.00 0.00 H new ATOM 618 N THR A 103 8.123 -3.744 0.950 1.00 0.00 N ATOM 619 CA THR A 103 6.783 -3.173 0.986 1.00 0.00 C ATOM 620 C THR A 103 6.815 -1.678 0.688 1.00 0.00 C ATOM 621 O THR A 103 7.866 -1.042 0.764 1.00 0.00 O ATOM 622 CB THR A 103 6.114 -3.398 2.355 1.00 0.00 C ATOM 623 OG1 THR A 103 6.811 -2.664 3.368 1.00 0.00 O ATOM 624 CG2 THR A 103 6.098 -4.876 2.713 1.00 0.00 C ATOM 0 H THR A 103 8.830 -3.191 1.435 1.00 0.00 H new ATOM 0 HA THR A 103 6.201 -3.682 0.217 1.00 0.00 H new ATOM 0 HB THR A 103 5.085 -3.044 2.294 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.212 -1.993 3.757 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.621 -5.010 3.684 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.541 -5.428 1.956 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.121 -5.251 2.757 1.00 0.00 H new ATOM 632 N ALA A 104 5.656 -1.122 0.350 1.00 0.00 N ATOM 633 CA ALA A 104 5.551 0.299 0.043 1.00 0.00 C ATOM 634 C ALA A 104 4.340 0.921 0.730 1.00 0.00 C ATOM 635 O ALA A 104 3.224 0.412 0.623 1.00 0.00 O ATOM 636 CB ALA A 104 5.473 0.510 -1.461 1.00 0.00 C ATOM 0 H ALA A 104 4.777 -1.634 0.282 1.00 0.00 H new ATOM 0 HA ALA A 104 6.445 0.794 0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 104 5.395 1.576 -1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.371 0.110 -1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.597 -0.005 -1.856 1.00 0.00 H new ATOM 642 N PHE A 105 4.567 2.023 1.436 1.00 0.00 N ATOM 643 CA PHE A 105 3.494 2.714 2.142 1.00 0.00 C ATOM 644 C PHE A 105 3.186 4.056 1.485 1.00 0.00 C ATOM 645 O PHE A 105 4.067 4.903 1.336 1.00 0.00 O ATOM 646 CB PHE A 105 3.874 2.926 3.609 1.00 0.00 C ATOM 647 CG PHE A 105 4.027 1.646 4.380 1.00 0.00 C ATOM 648 CD1 PHE A 105 2.931 1.052 4.986 1.00 0.00 C ATOM 649 CD2 PHE A 105 5.265 1.037 4.498 1.00 0.00 C ATOM 650 CE1 PHE A 105 3.070 -0.126 5.697 1.00 0.00 C ATOM 651 CE2 PHE A 105 5.410 -0.141 5.207 1.00 0.00 C ATOM 652 CZ PHE A 105 4.310 -0.723 5.806 1.00 0.00 C ATOM 0 H PHE A 105 5.485 2.457 1.535 1.00 0.00 H new ATOM 0 HA PHE A 105 2.600 2.092 2.092 1.00 0.00 H new ATOM 0 HB2 PHE A 105 4.809 3.483 3.657 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.112 3.541 4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 105 1.958 1.514 4.902 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.128 1.488 4.030 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.209 -0.579 6.167 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.381 -0.605 5.292 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.420 -1.644 6.359 1.00 0.00 H new ATOM 662 N VAL A 106 1.929 4.243 1.094 1.00 0.00 N ATOM 663 CA VAL A 106 1.504 5.481 0.454 1.00 0.00 C ATOM 664 C VAL A 106 0.218 6.010 1.079 1.00 0.00 C ATOM 665 O VAL A 106 -0.743 5.264 1.276 1.00 0.00 O ATOM 666 CB VAL A 106 1.284 5.285 -1.058 1.00 0.00 C ATOM 667 CG1 VAL A 106 0.994 6.616 -1.733 1.00 0.00 C ATOM 668 CG2 VAL A 106 2.492 4.610 -1.689 1.00 0.00 C ATOM 0 H VAL A 106 1.188 3.552 1.210 1.00 0.00 H new ATOM 0 HA VAL A 106 2.304 6.206 0.606 1.00 0.00 H new ATOM 0 HB VAL A 106 0.419 4.637 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.841 6.457 -2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.096 7.056 -1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.837 7.291 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.319 4.479 -2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.376 5.230 -1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 106 2.648 3.636 -1.225 1.00 0.00 H new ATOM 678 N THR A 107 0.205 7.302 1.389 1.00 0.00 N ATOM 679 CA THR A 107 -0.963 7.931 1.993 1.00 0.00 C ATOM 680 C THR A 107 -1.727 8.768 0.972 1.00 0.00 C ATOM 681 O THR A 107 -1.229 9.788 0.494 1.00 0.00 O ATOM 682 CB THR A 107 -0.567 8.828 3.181 1.00 0.00 C ATOM 683 OG1 THR A 107 0.444 8.185 3.965 1.00 0.00 O ATOM 684 CG2 THR A 107 -1.774 9.135 4.054 1.00 0.00 C ATOM 0 H THR A 107 0.990 7.934 1.232 1.00 0.00 H new ATOM 0 HA THR A 107 -1.604 7.126 2.352 1.00 0.00 H new ATOM 0 HB THR A 107 -0.177 9.766 2.785 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.691 8.763 4.717 1.00 0.00 H new ATOM 0 HG21 THR A 107 -1.469 9.770 4.886 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.530 9.651 3.462 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.189 8.204 4.441 1.00 0.00 H new ATOM 692 N LEU A 108 -2.937 8.331 0.643 1.00 0.00 N ATOM 693 CA LEU A 108 -3.771 9.040 -0.321 1.00 0.00 C ATOM 694 C LEU A 108 -4.503 10.201 0.343 1.00 0.00 C ATOM 695 O LEU A 108 -4.403 10.402 1.554 1.00 0.00 O ATOM 696 CB LEU A 108 -4.780 8.081 -0.956 1.00 0.00 C ATOM 697 CG LEU A 108 -4.291 7.305 -2.179 1.00 0.00 C ATOM 698 CD1 LEU A 108 -5.279 6.209 -2.545 1.00 0.00 C ATOM 699 CD2 LEU A 108 -4.074 8.245 -3.356 1.00 0.00 C ATOM 0 H LEU A 108 -3.363 7.489 1.030 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.122 9.441 -1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.096 7.364 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.663 8.652 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.337 6.839 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.914 5.667 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.384 5.519 -1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.248 6.654 -2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.726 7.675 -4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.013 8.740 -3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.328 8.994 -3.091 1.00 0.00 H new ATOM 711 N LEU A 109 -5.241 10.963 -0.457 1.00 0.00 N ATOM 712 CA LEU A 109 -5.994 12.104 0.053 1.00 0.00 C ATOM 713 C LEU A 109 -6.855 11.699 1.245 1.00 0.00 C ATOM 714 O LEU A 109 -6.655 12.180 2.359 1.00 0.00 O ATOM 715 CB LEU A 109 -6.874 12.694 -1.050 1.00 0.00 C ATOM 716 CG LEU A 109 -7.841 13.797 -0.620 1.00 0.00 C ATOM 717 CD1 LEU A 109 -7.083 15.078 -0.304 1.00 0.00 C ATOM 718 CD2 LEU A 109 -8.883 14.045 -1.700 1.00 0.00 C ATOM 0 H LEU A 109 -5.334 10.811 -1.461 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.281 12.860 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -6.225 13.091 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -7.452 11.885 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.355 13.470 0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -7.788 15.852 0.000 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.376 14.892 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.541 15.408 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.562 14.833 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.387 14.350 -2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.448 13.130 -1.878 1.00 0.00 H new ATOM 730 N ASN A 110 -7.813 10.810 1.001 1.00 0.00 N ATOM 731 CA ASN A 110 -8.704 10.339 2.055 1.00 0.00 C ATOM 732 C ASN A 110 -8.893 8.828 1.973 1.00 0.00 C ATOM 733 O ASN A 110 -8.265 8.157 1.155 1.00 0.00 O ATOM 734 CB ASN A 110 -10.061 11.040 1.956 1.00 0.00 C ATOM 735 CG ASN A 110 -10.413 11.419 0.530 1.00 0.00 C ATOM 736 OD1 ASN A 110 -10.584 12.596 0.213 1.00 0.00 O ATOM 737 ND2 ASN A 110 -10.524 10.419 -0.337 1.00 0.00 N ATOM 0 H ASN A 110 -7.992 10.402 0.083 1.00 0.00 H new ATOM 0 HA ASN A 110 -8.248 10.579 3.016 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -10.835 10.386 2.357 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -10.050 11.937 2.575 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -10.760 10.612 -1.310 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -10.373 9.458 -0.029 1.00 0.00 H new ATOM 744 N GLY A 111 -9.764 8.298 2.827 1.00 0.00 N ATOM 745 CA GLY A 111 -10.020 6.869 2.834 1.00 0.00 C ATOM 746 C GLY A 111 -10.727 6.401 1.578 1.00 0.00 C ATOM 747 O GLY A 111 -10.624 5.235 1.199 1.00 0.00 O ATOM 0 H GLY A 111 -10.296 8.832 3.514 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.076 6.334 2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.626 6.616 3.704 1.00 0.00 H new ATOM 751 N GLU A 112 -11.447 7.312 0.931 1.00 0.00 N ATOM 752 CA GLU A 112 -12.176 6.983 -0.289 1.00 0.00 C ATOM 753 C GLU A 112 -11.222 6.512 -1.382 1.00 0.00 C ATOM 754 O GLU A 112 -11.448 5.480 -2.014 1.00 0.00 O ATOM 755 CB GLU A 112 -12.969 8.197 -0.777 1.00 0.00 C ATOM 756 CG GLU A 112 -14.254 8.437 -0.002 1.00 0.00 C ATOM 757 CD GLU A 112 -15.373 7.505 -0.425 1.00 0.00 C ATOM 758 OE1 GLU A 112 -15.406 7.116 -1.611 1.00 0.00 O ATOM 759 OE2 GLU A 112 -16.216 7.164 0.431 1.00 0.00 O ATOM 0 H GLU A 112 -11.541 8.282 1.231 1.00 0.00 H new ATOM 0 HA GLU A 112 -12.869 6.173 -0.062 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.340 9.084 -0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -13.210 8.063 -1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -14.061 8.307 1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -14.573 9.470 -0.145 1.00 0.00 H new ATOM 766 N GLN A 113 -10.156 7.276 -1.599 1.00 0.00 N ATOM 767 CA GLN A 113 -9.168 6.937 -2.616 1.00 0.00 C ATOM 768 C GLN A 113 -8.412 5.667 -2.240 1.00 0.00 C ATOM 769 O GLN A 113 -8.031 4.880 -3.106 1.00 0.00 O ATOM 770 CB GLN A 113 -8.184 8.092 -2.807 1.00 0.00 C ATOM 771 CG GLN A 113 -8.856 9.417 -3.129 1.00 0.00 C ATOM 772 CD GLN A 113 -7.873 10.471 -3.601 1.00 0.00 C ATOM 773 OE1 GLN A 113 -6.659 10.282 -3.524 1.00 0.00 O ATOM 774 NE2 GLN A 113 -8.394 11.588 -4.094 1.00 0.00 N ATOM 0 H GLN A 113 -9.955 8.133 -1.084 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.696 6.760 -3.553 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -7.590 8.206 -1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -7.493 7.840 -3.611 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -9.611 9.259 -3.899 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.376 9.781 -2.243 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -9.407 11.702 -4.139 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -7.782 12.332 -4.428 1.00 0.00 H new ATOM 783 N ALA A 114 -8.199 5.474 -0.943 1.00 0.00 N ATOM 784 CA ALA A 114 -7.490 4.298 -0.452 1.00 0.00 C ATOM 785 C ALA A 114 -8.297 3.028 -0.699 1.00 0.00 C ATOM 786 O ALA A 114 -7.762 2.025 -1.170 1.00 0.00 O ATOM 787 CB ALA A 114 -7.181 4.449 1.030 1.00 0.00 C ATOM 0 H ALA A 114 -8.507 6.116 -0.213 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.552 4.214 -1.001 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -6.652 3.564 1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.558 5.330 1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.112 4.561 1.586 1.00 0.00 H new ATOM 793 N GLU A 115 -9.586 3.079 -0.378 1.00 0.00 N ATOM 794 CA GLU A 115 -10.464 1.930 -0.565 1.00 0.00 C ATOM 795 C GLU A 115 -10.527 1.526 -2.035 1.00 0.00 C ATOM 796 O GLU A 115 -10.408 0.349 -2.372 1.00 0.00 O ATOM 797 CB GLU A 115 -11.871 2.247 -0.051 1.00 0.00 C ATOM 798 CG GLU A 115 -12.916 1.229 -0.473 1.00 0.00 C ATOM 799 CD GLU A 115 -14.069 1.135 0.508 1.00 0.00 C ATOM 800 OE1 GLU A 115 -13.811 1.176 1.730 1.00 0.00 O ATOM 801 OE2 GLU A 115 -15.226 1.019 0.056 1.00 0.00 O ATOM 0 H GLU A 115 -10.045 3.902 0.012 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.055 1.096 0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.847 2.301 1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -12.168 3.231 -0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -13.302 1.496 -1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -12.446 0.250 -0.570 1.00 0.00 H new ATOM 808 N ALA A 116 -10.716 2.513 -2.906 1.00 0.00 N ATOM 809 CA ALA A 116 -10.793 2.262 -4.340 1.00 0.00 C ATOM 810 C ALA A 116 -9.505 1.631 -4.857 1.00 0.00 C ATOM 811 O ALA A 116 -9.537 0.683 -5.641 1.00 0.00 O ATOM 812 CB ALA A 116 -11.087 3.554 -5.087 1.00 0.00 C ATOM 0 H ALA A 116 -10.819 3.493 -2.643 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.607 1.559 -4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -11.142 3.351 -6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -12.038 3.963 -4.746 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -10.292 4.275 -4.894 1.00 0.00 H new ATOM 818 N ALA A 117 -8.371 2.164 -4.413 1.00 0.00 N ATOM 819 CA ALA A 117 -7.071 1.652 -4.830 1.00 0.00 C ATOM 820 C ALA A 117 -6.822 0.259 -4.263 1.00 0.00 C ATOM 821 O ALA A 117 -6.325 -0.626 -4.960 1.00 0.00 O ATOM 822 CB ALA A 117 -5.966 2.605 -4.400 1.00 0.00 C ATOM 0 H ALA A 117 -8.326 2.950 -3.765 1.00 0.00 H new ATOM 0 HA ALA A 117 -7.069 1.578 -5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -5.001 2.210 -4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -6.128 3.580 -4.859 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.976 2.708 -3.315 1.00 0.00 H new ATOM 828 N ILE A 118 -7.170 0.071 -2.994 1.00 0.00 N ATOM 829 CA ILE A 118 -6.983 -1.215 -2.334 1.00 0.00 C ATOM 830 C ILE A 118 -7.896 -2.279 -2.935 1.00 0.00 C ATOM 831 O ILE A 118 -7.493 -3.427 -3.116 1.00 0.00 O ATOM 832 CB ILE A 118 -7.256 -1.116 -0.821 1.00 0.00 C ATOM 833 CG1 ILE A 118 -6.162 -0.294 -0.137 1.00 0.00 C ATOM 834 CG2 ILE A 118 -7.345 -2.505 -0.207 1.00 0.00 C ATOM 835 CD1 ILE A 118 -6.500 0.097 1.285 1.00 0.00 C ATOM 0 H ILE A 118 -7.583 0.793 -2.403 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.943 -1.502 -2.490 1.00 0.00 H new ATOM 0 HB ILE A 118 -8.211 -0.612 -0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.235 -0.867 -0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.979 0.609 -0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.538 -2.418 0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -8.156 -3.060 -0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.405 -3.033 -0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -5.680 0.678 1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -7.410 0.697 1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -6.654 -0.801 1.883 1.00 0.00 H new ATOM 847 N ASN A 119 -9.128 -1.888 -3.243 1.00 0.00 N ATOM 848 CA ASN A 119 -10.099 -2.807 -3.826 1.00 0.00 C ATOM 849 C ASN A 119 -9.545 -3.452 -5.093 1.00 0.00 C ATOM 850 O ASN A 119 -9.626 -4.668 -5.272 1.00 0.00 O ATOM 851 CB ASN A 119 -11.403 -2.073 -4.142 1.00 0.00 C ATOM 852 CG ASN A 119 -12.615 -2.980 -4.050 1.00 0.00 C ATOM 853 OD1 ASN A 119 -12.530 -4.177 -4.328 1.00 0.00 O ATOM 854 ND2 ASN A 119 -13.750 -2.413 -3.659 1.00 0.00 N ATOM 0 H ASN A 119 -9.478 -0.941 -3.099 1.00 0.00 H new ATOM 0 HA ASN A 119 -10.300 -3.593 -3.098 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.524 -1.239 -3.451 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -11.345 -1.650 -5.145 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -14.599 -2.973 -3.579 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -13.773 -1.417 -3.439 1.00 0.00 H new ATOM 861 N THR A 120 -8.982 -2.628 -5.972 1.00 0.00 N ATOM 862 CA THR A 120 -8.415 -3.116 -7.223 1.00 0.00 C ATOM 863 C THR A 120 -7.034 -3.723 -7.001 1.00 0.00 C ATOM 864 O THR A 120 -6.751 -4.830 -7.458 1.00 0.00 O ATOM 865 CB THR A 120 -8.307 -1.990 -8.268 1.00 0.00 C ATOM 866 OG1 THR A 120 -9.588 -1.384 -8.470 1.00 0.00 O ATOM 867 CG2 THR A 120 -7.780 -2.527 -9.590 1.00 0.00 C ATOM 0 H THR A 120 -8.907 -1.619 -5.840 1.00 0.00 H new ATOM 0 HA THR A 120 -9.091 -3.885 -7.598 1.00 0.00 H new ATOM 0 HB THR A 120 -7.608 -1.243 -7.893 1.00 0.00 H new ATOM 0 HG1 THR A 120 -9.510 -0.668 -9.135 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.712 -1.713 -10.312 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.792 -2.961 -9.438 1.00 0.00 H new ATOM 0 HG23 THR A 120 -8.458 -3.292 -9.968 1.00 0.00 H new ATOM 875 N PHE A 121 -6.178 -2.991 -6.296 1.00 0.00 N ATOM 876 CA PHE A 121 -4.825 -3.457 -6.014 1.00 0.00 C ATOM 877 C PHE A 121 -4.854 -4.784 -5.260 1.00 0.00 C ATOM 878 O PHE A 121 -3.944 -5.604 -5.390 1.00 0.00 O ATOM 879 CB PHE A 121 -4.062 -2.411 -5.199 1.00 0.00 C ATOM 880 CG PHE A 121 -3.940 -1.084 -5.891 1.00 0.00 C ATOM 881 CD1 PHE A 121 -4.292 -0.948 -7.224 1.00 0.00 C ATOM 882 CD2 PHE A 121 -3.475 0.028 -5.208 1.00 0.00 C ATOM 883 CE1 PHE A 121 -4.180 0.272 -7.864 1.00 0.00 C ATOM 884 CE2 PHE A 121 -3.361 1.251 -5.842 1.00 0.00 C ATOM 885 CZ PHE A 121 -3.715 1.373 -7.171 1.00 0.00 C ATOM 0 H PHE A 121 -6.397 -2.073 -5.909 1.00 0.00 H new ATOM 0 HA PHE A 121 -4.314 -3.610 -6.965 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.566 -2.268 -4.243 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -3.064 -2.790 -4.979 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -4.658 -1.805 -7.769 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -3.198 -0.062 -4.168 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -4.456 0.364 -8.904 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -2.996 2.110 -5.299 1.00 0.00 H new ATOM 0 HZ PHE A 121 -3.629 2.328 -7.668 1.00 0.00 H new ATOM 895 N HIS A 122 -5.904 -4.988 -4.472 1.00 0.00 N ATOM 896 CA HIS A 122 -6.052 -6.215 -3.697 1.00 0.00 C ATOM 897 C HIS A 122 -6.367 -7.398 -4.608 1.00 0.00 C ATOM 898 O HIS A 122 -6.833 -7.219 -5.733 1.00 0.00 O ATOM 899 CB HIS A 122 -7.156 -6.053 -2.652 1.00 0.00 C ATOM 900 CG HIS A 122 -7.611 -7.349 -2.055 1.00 0.00 C ATOM 901 ND1 HIS A 122 -6.777 -8.180 -1.337 1.00 0.00 N ATOM 902 CD2 HIS A 122 -8.821 -7.955 -2.071 1.00 0.00 C ATOM 903 CE1 HIS A 122 -7.455 -9.242 -0.939 1.00 0.00 C ATOM 904 NE2 HIS A 122 -8.698 -9.130 -1.371 1.00 0.00 N ATOM 0 H HIS A 122 -6.665 -4.320 -4.353 1.00 0.00 H new ATOM 0 HA HIS A 122 -5.108 -6.411 -3.189 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -6.798 -5.401 -1.855 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -8.010 -5.555 -3.112 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -9.717 -7.583 -2.546 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -7.060 -10.063 -0.359 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -9.445 -9.806 -1.211 1.00 0.00 H new ATOM 913 N GLN A 123 -6.109 -8.604 -4.113 1.00 0.00 N ATOM 914 CA GLN A 123 -6.364 -9.815 -4.884 1.00 0.00 C ATOM 915 C GLN A 123 -5.766 -9.707 -6.282 1.00 0.00 C ATOM 916 O GLN A 123 -6.262 -10.317 -7.229 1.00 0.00 O ATOM 917 CB GLN A 123 -7.868 -10.078 -4.978 1.00 0.00 C ATOM 918 CG GLN A 123 -8.595 -9.121 -5.908 1.00 0.00 C ATOM 919 CD GLN A 123 -9.914 -9.679 -6.405 1.00 0.00 C ATOM 920 OE1 GLN A 123 -10.675 -10.277 -5.644 1.00 0.00 O ATOM 921 NE2 GLN A 123 -10.192 -9.487 -7.690 1.00 0.00 N ATOM 0 H GLN A 123 -5.724 -8.769 -3.183 1.00 0.00 H new ATOM 0 HA GLN A 123 -5.888 -10.650 -4.369 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -8.029 -11.099 -5.323 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.304 -10.005 -3.982 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -8.776 -8.181 -5.387 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -7.956 -8.894 -6.762 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -9.533 -8.986 -8.285 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.065 -9.841 -8.081 1.00 0.00 H new ATOM 930 N SER A 124 -4.697 -8.926 -6.405 1.00 0.00 N ATOM 931 CA SER A 124 -4.034 -8.734 -7.689 1.00 0.00 C ATOM 932 C SER A 124 -2.785 -9.605 -7.791 1.00 0.00 C ATOM 933 O SER A 124 -2.358 -10.214 -6.810 1.00 0.00 O ATOM 934 CB SER A 124 -3.660 -7.263 -7.879 1.00 0.00 C ATOM 935 OG SER A 124 -2.616 -6.884 -7.000 1.00 0.00 O ATOM 0 H SER A 124 -4.272 -8.416 -5.631 1.00 0.00 H new ATOM 0 HA SER A 124 -4.728 -9.030 -8.476 1.00 0.00 H new ATOM 0 HB2 SER A 124 -3.351 -7.094 -8.910 1.00 0.00 H new ATOM 0 HB3 SER A 124 -4.534 -6.637 -7.702 1.00 0.00 H new ATOM 0 HG SER A 124 -2.999 -6.528 -6.171 1.00 0.00 H new ATOM 941 N ARG A 125 -2.205 -9.658 -8.985 1.00 0.00 N ATOM 942 CA ARG A 125 -1.006 -10.455 -9.217 1.00 0.00 C ATOM 943 C ARG A 125 -0.012 -9.699 -10.094 1.00 0.00 C ATOM 944 O ARG A 125 -0.403 -8.948 -10.989 1.00 0.00 O ATOM 945 CB ARG A 125 -1.373 -11.787 -9.874 1.00 0.00 C ATOM 946 CG ARG A 125 -1.965 -12.800 -8.908 1.00 0.00 C ATOM 947 CD ARG A 125 -1.998 -14.194 -9.514 1.00 0.00 C ATOM 948 NE ARG A 125 -2.860 -14.259 -10.691 1.00 0.00 N ATOM 949 CZ ARG A 125 -4.179 -14.404 -10.629 1.00 0.00 C ATOM 950 NH1 ARG A 125 -4.784 -14.499 -9.453 1.00 0.00 N ATOM 951 NH2 ARG A 125 -4.896 -14.454 -11.744 1.00 0.00 N ATOM 0 H ARG A 125 -2.545 -9.159 -9.807 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.537 -10.650 -8.253 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -2.087 -11.602 -10.676 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.481 -12.214 -10.333 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.378 -12.815 -7.990 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.976 -12.497 -8.635 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -0.987 -14.494 -9.788 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -2.350 -14.906 -8.767 1.00 0.00 H new ATOM 0 HE ARG A 125 -2.425 -14.189 -11.611 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -4.236 -14.461 -8.593 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -5.797 -14.610 -9.408 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -4.435 -14.381 -12.651 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -5.909 -14.565 -11.695 1.00 0.00 H new ATOM 965 N LEU A 126 1.274 -9.902 -9.832 1.00 0.00 N ATOM 966 CA LEU A 126 2.325 -9.240 -10.597 1.00 0.00 C ATOM 967 C LEU A 126 3.504 -10.179 -10.828 1.00 0.00 C ATOM 968 O LEU A 126 3.866 -10.965 -9.952 1.00 0.00 O ATOM 969 CB LEU A 126 2.796 -7.980 -9.868 1.00 0.00 C ATOM 970 CG LEU A 126 4.061 -7.320 -10.419 1.00 0.00 C ATOM 971 CD1 LEU A 126 3.767 -6.616 -11.734 1.00 0.00 C ATOM 972 CD2 LEU A 126 4.637 -6.342 -9.405 1.00 0.00 C ATOM 0 H LEU A 126 1.614 -10.520 -9.095 1.00 0.00 H new ATOM 0 HA LEU A 126 1.913 -8.959 -11.566 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.989 -7.248 -9.891 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.968 -8.232 -8.822 1.00 0.00 H new ATOM 0 HG LEU A 126 4.802 -8.098 -10.605 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.679 -6.153 -12.110 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.402 -7.341 -12.461 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.009 -5.849 -11.575 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.537 -5.882 -9.814 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.901 -5.568 -9.187 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.887 -6.874 -8.487 1.00 0.00 H new ATOM 984 N ARG A 127 4.101 -10.090 -12.012 1.00 0.00 N ATOM 985 CA ARG A 127 5.241 -10.931 -12.358 1.00 0.00 C ATOM 986 C ARG A 127 5.038 -12.356 -11.852 1.00 0.00 C ATOM 987 O ARG A 127 5.977 -12.996 -11.379 1.00 0.00 O ATOM 988 CB ARG A 127 6.528 -10.349 -11.772 1.00 0.00 C ATOM 989 CG ARG A 127 6.564 -10.357 -10.252 1.00 0.00 C ATOM 990 CD ARG A 127 7.968 -10.102 -9.726 1.00 0.00 C ATOM 991 NE ARG A 127 8.185 -10.722 -8.422 1.00 0.00 N ATOM 992 CZ ARG A 127 8.493 -12.004 -8.260 1.00 0.00 C ATOM 993 NH1 ARG A 127 8.619 -12.797 -9.315 1.00 0.00 N ATOM 994 NH2 ARG A 127 8.675 -12.495 -7.041 1.00 0.00 N ATOM 0 H ARG A 127 3.814 -9.444 -12.748 1.00 0.00 H new ATOM 0 HA ARG A 127 5.325 -10.958 -13.444 1.00 0.00 H new ATOM 0 HB2 ARG A 127 7.378 -10.917 -12.150 1.00 0.00 H new ATOM 0 HB3 ARG A 127 6.647 -9.324 -12.124 1.00 0.00 H new ATOM 0 HG2 ARG A 127 5.886 -9.595 -9.867 1.00 0.00 H new ATOM 0 HG3 ARG A 127 6.205 -11.318 -9.884 1.00 0.00 H new ATOM 0 HD2 ARG A 127 8.697 -10.489 -10.437 1.00 0.00 H new ATOM 0 HD3 ARG A 127 8.137 -9.028 -9.649 1.00 0.00 H new ATOM 0 HE ARG A 127 8.095 -10.139 -7.590 1.00 0.00 H new ATOM 0 HH11 ARG A 127 8.479 -12.423 -10.254 1.00 0.00 H new ATOM 0 HH12 ARG A 127 8.856 -13.781 -9.188 1.00 0.00 H new ATOM 0 HH21 ARG A 127 8.578 -11.888 -6.227 1.00 0.00 H new ATOM 0 HH22 ARG A 127 8.911 -13.480 -6.918 1.00 0.00 H new ATOM 1008 N GLU A 128 3.807 -12.846 -11.956 1.00 0.00 N ATOM 1009 CA GLU A 128 3.482 -14.195 -11.507 1.00 0.00 C ATOM 1010 C GLU A 128 3.717 -14.341 -10.007 1.00 0.00 C ATOM 1011 O GLU A 128 4.402 -15.262 -9.562 1.00 0.00 O ATOM 1012 CB GLU A 128 4.319 -15.225 -12.269 1.00 0.00 C ATOM 1013 CG GLU A 128 3.832 -15.477 -13.686 1.00 0.00 C ATOM 1014 CD GLU A 128 4.937 -15.964 -14.604 1.00 0.00 C ATOM 1015 OE1 GLU A 128 5.879 -15.186 -14.861 1.00 0.00 O ATOM 1016 OE2 GLU A 128 4.858 -17.122 -15.065 1.00 0.00 O ATOM 0 H GLU A 128 3.019 -12.330 -12.347 1.00 0.00 H new ATOM 0 HA GLU A 128 2.426 -14.374 -11.710 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.354 -14.885 -12.305 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.311 -16.166 -11.719 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.030 -16.215 -13.665 1.00 0.00 H new ATOM 0 HG3 GLU A 128 3.408 -14.557 -14.090 1.00 0.00 H new ATOM 1023 N ARG A 129 3.144 -13.425 -9.232 1.00 0.00 N ATOM 1024 CA ARG A 129 3.293 -13.450 -7.782 1.00 0.00 C ATOM 1025 C ARG A 129 2.047 -12.893 -7.099 1.00 0.00 C ATOM 1026 O ARG A 129 1.389 -11.995 -7.623 1.00 0.00 O ATOM 1027 CB ARG A 129 4.522 -12.644 -7.360 1.00 0.00 C ATOM 1028 CG ARG A 129 4.225 -11.179 -7.082 1.00 0.00 C ATOM 1029 CD ARG A 129 3.743 -10.970 -5.655 1.00 0.00 C ATOM 1030 NE ARG A 129 4.850 -10.735 -4.733 1.00 0.00 N ATOM 1031 CZ ARG A 129 5.424 -11.694 -4.014 1.00 0.00 C ATOM 1032 NH1 ARG A 129 4.996 -12.946 -4.112 1.00 0.00 N ATOM 1033 NH2 ARG A 129 6.427 -11.403 -3.196 1.00 0.00 N ATOM 0 H ARG A 129 2.573 -12.657 -9.584 1.00 0.00 H new ATOM 0 HA ARG A 129 3.424 -14.487 -7.473 1.00 0.00 H new ATOM 0 HB2 ARG A 129 4.952 -13.095 -6.465 1.00 0.00 H new ATOM 0 HB3 ARG A 129 5.276 -12.710 -8.144 1.00 0.00 H new ATOM 0 HG2 ARG A 129 5.123 -10.585 -7.255 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.467 -10.821 -7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.059 -10.122 -5.624 1.00 0.00 H new ATOM 0 HD3 ARG A 129 3.180 -11.845 -5.330 1.00 0.00 H new ATOM 0 HE ARG A 129 5.202 -9.783 -4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 129 4.225 -13.174 -4.740 1.00 0.00 H new ATOM 0 HH12 ARG A 129 5.438 -13.681 -3.559 1.00 0.00 H new ATOM 0 HH21 ARG A 129 6.759 -10.442 -3.118 1.00 0.00 H new ATOM 0 HH22 ARG A 129 6.866 -12.141 -2.645 1.00 0.00 H new ATOM 1047 N GLU A 130 1.730 -13.434 -5.926 1.00 0.00 N ATOM 1048 CA GLU A 130 0.563 -12.992 -5.172 1.00 0.00 C ATOM 1049 C GLU A 130 0.860 -11.699 -4.418 1.00 0.00 C ATOM 1050 O GLU A 130 1.819 -11.622 -3.649 1.00 0.00 O ATOM 1051 CB GLU A 130 0.121 -14.078 -4.190 1.00 0.00 C ATOM 1052 CG GLU A 130 -1.361 -14.032 -3.858 1.00 0.00 C ATOM 1053 CD GLU A 130 -2.238 -14.296 -5.067 1.00 0.00 C ATOM 1054 OE1 GLU A 130 -1.840 -15.116 -5.920 1.00 0.00 O ATOM 1055 OE2 GLU A 130 -3.322 -13.683 -5.159 1.00 0.00 O ATOM 0 H GLU A 130 2.265 -14.178 -5.478 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.244 -12.802 -5.880 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.360 -15.055 -4.610 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.694 -13.978 -3.268 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -1.580 -14.771 -3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -1.606 -13.055 -3.442 1.00 0.00 H new ATOM 1062 N LEU A 131 0.031 -10.685 -4.644 1.00 0.00 N ATOM 1063 CA LEU A 131 0.204 -9.395 -3.987 1.00 0.00 C ATOM 1064 C LEU A 131 -0.818 -9.211 -2.869 1.00 0.00 C ATOM 1065 O LEU A 131 -2.008 -9.464 -3.056 1.00 0.00 O ATOM 1066 CB LEU A 131 0.074 -8.260 -5.004 1.00 0.00 C ATOM 1067 CG LEU A 131 1.124 -8.232 -6.116 1.00 0.00 C ATOM 1068 CD1 LEU A 131 0.542 -7.628 -7.384 1.00 0.00 C ATOM 1069 CD2 LEU A 131 2.353 -7.454 -5.668 1.00 0.00 C ATOM 0 H LEU A 131 -0.767 -10.732 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 131 1.202 -9.370 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.912 -8.322 -5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 131 0.116 -7.312 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 131 1.425 -9.257 -6.332 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.303 -7.616 -8.164 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.307 -8.225 -7.715 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.212 -6.609 -7.183 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.090 -7.444 -6.471 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.067 -6.431 -5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 131 2.783 -7.929 -4.787 1.00 0.00 H new ATOM 1081 N SER A 132 -0.346 -8.768 -1.709 1.00 0.00 N ATOM 1082 CA SER A 132 -1.218 -8.552 -0.561 1.00 0.00 C ATOM 1083 C SER A 132 -1.330 -7.065 -0.235 1.00 0.00 C ATOM 1084 O SER A 132 -0.323 -6.381 -0.049 1.00 0.00 O ATOM 1085 CB SER A 132 -0.693 -9.314 0.657 1.00 0.00 C ATOM 1086 OG SER A 132 -1.196 -10.638 0.686 1.00 0.00 O ATOM 0 H SER A 132 0.636 -8.551 -1.539 1.00 0.00 H new ATOM 0 HA SER A 132 -2.210 -8.927 -0.815 1.00 0.00 H new ATOM 0 HB2 SER A 132 0.397 -9.336 0.634 1.00 0.00 H new ATOM 0 HB3 SER A 132 -0.982 -8.792 1.569 1.00 0.00 H new ATOM 0 HG SER A 132 -0.844 -11.104 1.473 1.00 0.00 H new ATOM 1092 N VAL A 133 -2.562 -6.571 -0.168 1.00 0.00 N ATOM 1093 CA VAL A 133 -2.807 -5.166 0.135 1.00 0.00 C ATOM 1094 C VAL A 133 -3.816 -5.017 1.268 1.00 0.00 C ATOM 1095 O VAL A 133 -4.842 -5.697 1.292 1.00 0.00 O ATOM 1096 CB VAL A 133 -3.323 -4.406 -1.101 1.00 0.00 C ATOM 1097 CG1 VAL A 133 -3.444 -2.920 -0.802 1.00 0.00 C ATOM 1098 CG2 VAL A 133 -2.409 -4.646 -2.293 1.00 0.00 C ATOM 0 H VAL A 133 -3.406 -7.123 -0.320 1.00 0.00 H new ATOM 0 HA VAL A 133 -1.853 -4.737 0.442 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.315 -4.783 -1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -3.810 -2.399 -1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.142 -2.770 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -2.467 -2.524 -0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -2.788 -4.102 -3.158 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -1.404 -4.297 -2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -2.379 -5.712 -2.520 1.00 0.00 H new ATOM 1108 N GLN A 134 -3.518 -4.122 2.205 1.00 0.00 N ATOM 1109 CA GLN A 134 -4.400 -3.884 3.341 1.00 0.00 C ATOM 1110 C GLN A 134 -4.268 -2.449 3.841 1.00 0.00 C ATOM 1111 O GLN A 134 -3.326 -1.740 3.484 1.00 0.00 O ATOM 1112 CB GLN A 134 -4.083 -4.862 4.474 1.00 0.00 C ATOM 1113 CG GLN A 134 -2.636 -4.812 4.934 1.00 0.00 C ATOM 1114 CD GLN A 134 -2.391 -5.635 6.183 1.00 0.00 C ATOM 1115 OE1 GLN A 134 -2.124 -5.093 7.256 1.00 0.00 O ATOM 1116 NE2 GLN A 134 -2.482 -6.953 6.051 1.00 0.00 N ATOM 0 H GLN A 134 -2.673 -3.550 2.200 1.00 0.00 H new ATOM 0 HA GLN A 134 -5.427 -4.042 3.011 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -4.733 -4.645 5.322 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -4.316 -5.875 4.144 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -1.992 -5.174 4.133 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -2.355 -3.776 5.125 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -2.706 -7.360 5.143 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -2.328 -7.558 6.858 1.00 0.00 H new ATOM 1125 N LEU A 135 -5.217 -2.027 4.669 1.00 0.00 N ATOM 1126 CA LEU A 135 -5.208 -0.675 5.218 1.00 0.00 C ATOM 1127 C LEU A 135 -4.190 -0.554 6.348 1.00 0.00 C ATOM 1128 O LEU A 135 -4.052 -1.459 7.170 1.00 0.00 O ATOM 1129 CB LEU A 135 -6.600 -0.301 5.728 1.00 0.00 C ATOM 1130 CG LEU A 135 -7.626 0.080 4.661 1.00 0.00 C ATOM 1131 CD1 LEU A 135 -9.030 0.081 5.245 1.00 0.00 C ATOM 1132 CD2 LEU A 135 -7.294 1.440 4.064 1.00 0.00 C ATOM 0 H LEU A 135 -6.003 -2.601 4.975 1.00 0.00 H new ATOM 0 HA LEU A 135 -4.923 0.013 4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -6.994 -1.142 6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.499 0.534 6.421 1.00 0.00 H new ATOM 0 HG LEU A 135 -7.587 -0.664 3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -9.746 0.355 4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -9.267 -0.913 5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -9.084 0.802 6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -8.035 1.695 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -7.304 2.195 4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -6.305 1.405 3.607 1.00 0.00 H new ATOM 1144 N GLN A 136 -3.483 0.571 6.383 1.00 0.00 N ATOM 1145 CA GLN A 136 -2.480 0.810 7.413 1.00 0.00 C ATOM 1146 C GLN A 136 -3.080 0.651 8.806 1.00 0.00 C ATOM 1147 O GLN A 136 -4.272 0.873 9.024 1.00 0.00 O ATOM 1148 CB GLN A 136 -1.884 2.211 7.259 1.00 0.00 C ATOM 1149 CG GLN A 136 -2.837 3.325 7.661 1.00 0.00 C ATOM 1150 CD GLN A 136 -2.116 4.545 8.198 1.00 0.00 C ATOM 1151 OE1 GLN A 136 -2.154 4.826 9.397 1.00 0.00 O ATOM 1152 NE2 GLN A 136 -1.452 5.278 7.312 1.00 0.00 N ATOM 0 H GLN A 136 -3.586 1.331 5.710 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.689 0.070 7.292 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -0.980 2.281 7.865 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -1.584 2.357 6.221 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -3.437 3.613 6.798 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -3.526 2.952 8.419 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -1.447 5.008 6.328 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -0.947 6.111 7.615 1.00 0.00 H new