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 80 ASN : amide:sc= -0.413 X(o=-0.074,f=0.13) USER MOD Set 1.2: A 84 HIS : no HD1:sc= -0.547 K(o=-0.074,f=-4) USER MOD Set 1.3: A 95 CYS SG : rot 25:sc= 0.886 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot -65:sc=-0.00592 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 178:sc= -0.0881 (180deg=-0.111) USER MOD Single : A 94 TYR OH : rot -146:sc= -0.836 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= 0.168 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 110 ASN : amide:sc= -1.48 K(o=-1.5,f=-2.7!) USER MOD Single : A 113 GLN : amide:sc= -3.01 K(o=-3,f=-4.3!) USER MOD Single : A 119 ASN : amide:sc=-0.00923 X(o=-0.0092,f=-0.4) USER MOD Single : A 120 THR OG1 : rot 79:sc= 0.0656 USER MOD Single : A 122 HIS : no HD1:sc= -0.444 K(o=-0.44,f=-2.5!) USER MOD Single : A 123 GLN : amide:sc=-0.00164 K(o=-0.0016,f=-0.76) USER MOD Single : A 124 SER OG : rot -81:sc= 1.15 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= -0.681 X(o=-0.68,f=-0.68) USER MOD Single : A 136 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.077) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 68 -4.786 5.696 3.515 1.00 0.00 N ATOM 60 CA GLY A 68 -3.553 4.945 3.656 1.00 0.00 C ATOM 61 C GLY A 68 -3.672 3.529 3.127 1.00 0.00 C ATOM 62 O GLY A 68 -4.729 2.906 3.235 1.00 0.00 O ATOM 0 HA2 GLY A 68 -2.754 5.462 3.125 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.269 4.914 4.708 1.00 0.00 H new ATOM 66 N ILE A 69 -2.588 3.022 2.551 1.00 0.00 N ATOM 67 CA ILE A 69 -2.576 1.671 2.002 1.00 0.00 C ATOM 68 C ILE A 69 -1.279 0.948 2.349 1.00 0.00 C ATOM 69 O ILE A 69 -0.284 1.576 2.714 1.00 0.00 O ATOM 70 CB ILE A 69 -2.751 1.684 0.472 1.00 0.00 C ATOM 71 CG1 ILE A 69 -1.569 2.393 -0.192 1.00 0.00 C ATOM 72 CG2 ILE A 69 -4.061 2.359 0.094 1.00 0.00 C ATOM 73 CD1 ILE A 69 -0.345 1.516 -0.342 1.00 0.00 C ATOM 0 H ILE A 69 -1.707 3.526 2.452 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.416 1.140 2.451 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.780 0.654 0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.875 2.748 -1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.306 3.272 0.396 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.170 2.360 -0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.893 1.815 0.542 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.060 3.386 0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.453 2.084 -0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.014 1.182 0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.591 0.649 -0.955 1.00 0.00 H new ATOM 85 N LEU A 70 -1.296 -0.375 2.230 1.00 0.00 N ATOM 86 CA LEU A 70 -0.120 -1.185 2.529 1.00 0.00 C ATOM 87 C LEU A 70 0.019 -2.331 1.532 1.00 0.00 C ATOM 88 O LEU A 70 -0.920 -3.098 1.319 1.00 0.00 O ATOM 89 CB LEU A 70 -0.207 -1.740 3.952 1.00 0.00 C ATOM 90 CG LEU A 70 0.545 -3.046 4.210 1.00 0.00 C ATOM 91 CD1 LEU A 70 2.042 -2.845 4.028 1.00 0.00 C ATOM 92 CD2 LEU A 70 0.241 -3.569 5.606 1.00 0.00 C ATOM 0 H LEU A 70 -2.111 -0.910 1.929 1.00 0.00 H new ATOM 0 HA LEU A 70 0.760 -0.548 2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.172 -0.984 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.258 -1.895 4.197 1.00 0.00 H new ATOM 0 HG LEU A 70 0.208 -3.787 3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.561 -3.785 4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.244 -2.517 3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.396 -2.089 4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.785 -4.499 5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.550 -2.831 6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.829 -3.752 5.701 1.00 0.00 H new ATOM 104 N ILE A 71 1.197 -2.441 0.926 1.00 0.00 N ATOM 105 CA ILE A 71 1.460 -3.495 -0.046 1.00 0.00 C ATOM 106 C ILE A 71 2.583 -4.411 0.428 1.00 0.00 C ATOM 107 O ILE A 71 3.533 -3.965 1.071 1.00 0.00 O ATOM 108 CB ILE A 71 1.833 -2.912 -1.422 1.00 0.00 C ATOM 109 CG1 ILE A 71 0.611 -2.263 -2.073 1.00 0.00 C ATOM 110 CG2 ILE A 71 2.405 -3.999 -2.320 1.00 0.00 C ATOM 111 CD1 ILE A 71 0.958 -1.324 -3.207 1.00 0.00 C ATOM 0 H ILE A 71 1.984 -1.813 1.091 1.00 0.00 H new ATOM 0 HA ILE A 71 0.540 -4.072 -0.143 1.00 0.00 H new ATOM 0 HB ILE A 71 2.596 -2.146 -1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.049 -3.045 -2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.054 -1.713 -1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.664 -3.572 -3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.298 -4.419 -1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.663 -4.786 -2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.043 -0.900 -3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.593 -0.521 -2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.488 -1.873 -3.985 1.00 0.00 H new ATOM 123 N ARG A 72 2.468 -5.695 0.104 1.00 0.00 N ATOM 124 CA ARG A 72 3.474 -6.675 0.495 1.00 0.00 C ATOM 125 C ARG A 72 3.843 -7.574 -0.681 1.00 0.00 C ATOM 126 O ARG A 72 2.971 -8.099 -1.372 1.00 0.00 O ATOM 127 CB ARG A 72 2.963 -7.525 1.660 1.00 0.00 C ATOM 128 CG ARG A 72 2.891 -6.771 2.978 1.00 0.00 C ATOM 129 CD ARG A 72 2.337 -7.646 4.091 1.00 0.00 C ATOM 130 NE ARG A 72 2.750 -7.179 5.412 1.00 0.00 N ATOM 131 CZ ARG A 72 2.084 -7.451 6.529 1.00 0.00 C ATOM 132 NH1 ARG A 72 0.980 -8.184 6.485 1.00 0.00 N ATOM 133 NH2 ARG A 72 2.523 -6.990 7.693 1.00 0.00 N ATOM 0 H ARG A 72 1.688 -6.081 -0.428 1.00 0.00 H new ATOM 0 HA ARG A 72 4.367 -6.136 0.812 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.972 -7.905 1.414 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.615 -8.390 1.781 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.886 -6.419 3.252 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.262 -5.889 2.860 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.249 -7.658 4.035 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.675 -8.672 3.947 1.00 0.00 H new ATOM 0 HE ARG A 72 3.596 -6.613 5.481 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.640 -8.541 5.592 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.471 -8.391 7.344 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.372 -6.426 7.731 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.011 -7.199 8.550 1.00 0.00 H new ATOM 147 N GLY A 73 5.143 -7.747 -0.902 1.00 0.00 N ATOM 148 CA GLY A 73 5.605 -8.583 -1.995 1.00 0.00 C ATOM 149 C GLY A 73 5.865 -7.790 -3.261 1.00 0.00 C ATOM 150 O GLY A 73 5.146 -7.933 -4.251 1.00 0.00 O ATOM 0 H GLY A 73 5.884 -7.323 -0.344 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.520 -9.094 -1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.861 -9.353 -2.199 1.00 0.00 H new ATOM 154 N LEU A 74 6.894 -6.951 -3.230 1.00 0.00 N ATOM 155 CA LEU A 74 7.247 -6.130 -4.383 1.00 0.00 C ATOM 156 C LEU A 74 8.285 -6.832 -5.254 1.00 0.00 C ATOM 157 O LEU A 74 9.077 -7.648 -4.782 1.00 0.00 O ATOM 158 CB LEU A 74 7.784 -4.774 -3.924 1.00 0.00 C ATOM 159 CG LEU A 74 6.807 -3.896 -3.140 1.00 0.00 C ATOM 160 CD1 LEU A 74 7.553 -2.800 -2.396 1.00 0.00 C ATOM 161 CD2 LEU A 74 5.764 -3.296 -4.071 1.00 0.00 C ATOM 0 H LEU A 74 7.499 -6.821 -2.419 1.00 0.00 H new ATOM 0 HA LEU A 74 6.346 -5.975 -4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.665 -4.945 -3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.114 -4.220 -4.803 1.00 0.00 H new ATOM 0 HG LEU A 74 6.295 -4.520 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.842 -2.186 -1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.261 -3.250 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.092 -2.178 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.078 -2.675 -3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.259 -2.686 -4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.207 -4.097 -4.558 1.00 0.00 H new ATOM 173 N PRO A 75 8.284 -6.506 -6.555 1.00 0.00 N ATOM 174 CA PRO A 75 9.221 -7.092 -7.518 1.00 0.00 C ATOM 175 C PRO A 75 10.653 -6.614 -7.299 1.00 0.00 C ATOM 176 O PRO A 75 10.889 -5.640 -6.584 1.00 0.00 O ATOM 177 CB PRO A 75 8.695 -6.601 -8.869 1.00 0.00 C ATOM 178 CG PRO A 75 7.959 -5.344 -8.555 1.00 0.00 C ATOM 179 CD PRO A 75 7.369 -5.541 -7.186 1.00 0.00 C ATOM 0 HA PRO A 75 9.267 -8.178 -7.432 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.511 -6.418 -9.569 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.039 -7.339 -9.330 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.629 -4.485 -8.571 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.179 -5.154 -9.292 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.326 -4.605 -6.629 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.351 -5.928 -7.239 1.00 0.00 H new ATOM 187 N GLY A 76 11.605 -7.305 -7.919 1.00 0.00 N ATOM 188 CA GLY A 76 13.001 -6.934 -7.778 1.00 0.00 C ATOM 189 C GLY A 76 13.331 -5.637 -8.490 1.00 0.00 C ATOM 190 O GLY A 76 14.387 -5.047 -8.261 1.00 0.00 O ATOM 0 H GLY A 76 11.435 -8.114 -8.516 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.242 -6.835 -6.720 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.628 -7.732 -8.175 1.00 0.00 H new ATOM 194 N ASP A 77 12.427 -5.193 -9.357 1.00 0.00 N ATOM 195 CA ASP A 77 12.628 -3.958 -10.105 1.00 0.00 C ATOM 196 C ASP A 77 11.636 -2.887 -9.663 1.00 0.00 C ATOM 197 O ASP A 77 11.355 -1.943 -10.401 1.00 0.00 O ATOM 198 CB ASP A 77 12.483 -4.217 -11.606 1.00 0.00 C ATOM 199 CG ASP A 77 13.012 -3.070 -12.445 1.00 0.00 C ATOM 200 OD1 ASP A 77 13.842 -2.293 -11.930 1.00 0.00 O ATOM 201 OD2 ASP A 77 12.595 -2.949 -13.616 1.00 0.00 O ATOM 0 H ASP A 77 11.548 -5.670 -9.559 1.00 0.00 H new ATOM 0 HA ASP A 77 13.637 -3.599 -9.902 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.017 -5.131 -11.867 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.432 -4.383 -11.843 1.00 0.00 H new ATOM 206 N VAL A 78 11.107 -3.041 -8.453 1.00 0.00 N ATOM 207 CA VAL A 78 10.146 -2.088 -7.911 1.00 0.00 C ATOM 208 C VAL A 78 10.809 -0.746 -7.619 1.00 0.00 C ATOM 209 O VAL A 78 11.712 -0.654 -6.787 1.00 0.00 O ATOM 210 CB VAL A 78 9.496 -2.619 -6.620 1.00 0.00 C ATOM 211 CG1 VAL A 78 10.540 -2.791 -5.528 1.00 0.00 C ATOM 212 CG2 VAL A 78 8.383 -1.688 -6.163 1.00 0.00 C ATOM 0 H VAL A 78 11.328 -3.817 -7.829 1.00 0.00 H new ATOM 0 HA VAL A 78 9.373 -1.952 -8.668 1.00 0.00 H new ATOM 0 HB VAL A 78 9.059 -3.596 -6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.062 -3.167 -4.623 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.299 -3.500 -5.859 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.009 -1.830 -5.318 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.934 -2.078 -5.249 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.794 -0.697 -5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.622 -1.621 -6.941 1.00 0.00 H new ATOM 222 N THR A 79 10.353 0.295 -8.309 1.00 0.00 N ATOM 223 CA THR A 79 10.901 1.633 -8.124 1.00 0.00 C ATOM 224 C THR A 79 9.827 2.608 -7.657 1.00 0.00 C ATOM 225 O THR A 79 8.635 2.367 -7.842 1.00 0.00 O ATOM 226 CB THR A 79 11.532 2.166 -9.425 1.00 0.00 C ATOM 227 OG1 THR A 79 12.339 3.315 -9.143 1.00 0.00 O ATOM 228 CG2 THR A 79 10.456 2.532 -10.437 1.00 0.00 C ATOM 0 H THR A 79 9.606 0.237 -9.001 1.00 0.00 H new ATOM 0 HA THR A 79 11.674 1.555 -7.359 1.00 0.00 H new ATOM 0 HB THR A 79 12.156 1.380 -9.849 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.738 3.647 -9.974 1.00 0.00 H new ATOM 0 HG21 THR A 79 10.925 2.906 -11.347 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.861 1.649 -10.671 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.810 3.304 -10.018 1.00 0.00 H new ATOM 236 N ASN A 80 10.257 3.710 -7.051 1.00 0.00 N ATOM 237 CA ASN A 80 9.331 4.722 -6.557 1.00 0.00 C ATOM 238 C ASN A 80 8.388 5.183 -7.664 1.00 0.00 C ATOM 239 O ASN A 80 7.242 5.549 -7.404 1.00 0.00 O ATOM 240 CB ASN A 80 10.102 5.919 -5.997 1.00 0.00 C ATOM 241 CG ASN A 80 10.445 6.937 -7.066 1.00 0.00 C ATOM 242 OD1 ASN A 80 11.485 6.842 -7.719 1.00 0.00 O ATOM 243 ND2 ASN A 80 9.571 7.920 -7.250 1.00 0.00 N ATOM 0 H ASN A 80 11.241 3.925 -6.890 1.00 0.00 H new ATOM 0 HA ASN A 80 8.736 4.276 -5.760 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.508 6.399 -5.220 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.020 5.568 -5.526 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.749 8.635 -7.955 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.722 7.960 -6.686 1.00 0.00 H new ATOM 250 N GLN A 81 8.879 5.162 -8.899 1.00 0.00 N ATOM 251 CA GLN A 81 8.081 5.578 -10.046 1.00 0.00 C ATOM 252 C GLN A 81 6.922 4.615 -10.281 1.00 0.00 C ATOM 253 O GLN A 81 5.840 5.022 -10.703 1.00 0.00 O ATOM 254 CB GLN A 81 8.953 5.660 -11.300 1.00 0.00 C ATOM 255 CG GLN A 81 8.331 6.474 -12.422 1.00 0.00 C ATOM 256 CD GLN A 81 8.677 7.948 -12.335 1.00 0.00 C ATOM 257 OE1 GLN A 81 9.675 8.398 -12.899 1.00 0.00 O ATOM 258 NE2 GLN A 81 7.852 8.709 -11.625 1.00 0.00 N ATOM 0 H GLN A 81 9.826 4.861 -9.131 1.00 0.00 H new ATOM 0 HA GLN A 81 7.672 6.565 -9.832 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.915 6.098 -11.035 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.151 4.651 -11.661 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.669 6.081 -13.381 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.248 6.357 -12.393 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.036 8.294 -11.174 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.034 9.708 -11.531 1.00 0.00 H new ATOM 267 N GLU A 82 7.156 3.336 -10.003 1.00 0.00 N ATOM 268 CA GLU A 82 6.131 2.315 -10.186 1.00 0.00 C ATOM 269 C GLU A 82 4.954 2.551 -9.243 1.00 0.00 C ATOM 270 O GLU A 82 3.795 2.483 -9.651 1.00 0.00 O ATOM 271 CB GLU A 82 6.718 0.923 -9.947 1.00 0.00 C ATOM 272 CG GLU A 82 5.828 -0.206 -10.439 1.00 0.00 C ATOM 273 CD GLU A 82 5.502 -0.092 -11.915 1.00 0.00 C ATOM 274 OE1 GLU A 82 6.431 -0.221 -12.740 1.00 0.00 O ATOM 275 OE2 GLU A 82 4.318 0.127 -12.246 1.00 0.00 O ATOM 0 H GLU A 82 8.046 2.983 -9.651 1.00 0.00 H new ATOM 0 HA GLU A 82 5.771 2.378 -11.213 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.685 0.855 -10.445 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.899 0.793 -8.880 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.321 -1.160 -10.253 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.901 -0.209 -9.865 1.00 0.00 H new ATOM 282 N VAL A 83 5.262 2.829 -7.980 1.00 0.00 N ATOM 283 CA VAL A 83 4.231 3.076 -6.979 1.00 0.00 C ATOM 284 C VAL A 83 3.520 4.400 -7.237 1.00 0.00 C ATOM 285 O VAL A 83 2.305 4.506 -7.072 1.00 0.00 O ATOM 286 CB VAL A 83 4.822 3.091 -5.557 1.00 0.00 C ATOM 287 CG1 VAL A 83 5.257 1.693 -5.144 1.00 0.00 C ATOM 288 CG2 VAL A 83 5.987 4.066 -5.475 1.00 0.00 C ATOM 0 H VAL A 83 6.217 2.889 -7.626 1.00 0.00 H new ATOM 0 HA VAL A 83 3.512 2.260 -7.057 1.00 0.00 H new ATOM 0 HB VAL A 83 4.049 3.424 -4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.672 1.724 -4.137 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.397 1.024 -5.162 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.015 1.328 -5.837 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.393 4.064 -4.463 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.764 3.765 -6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.640 5.069 -5.725 1.00 0.00 H new ATOM 298 N HIS A 84 4.287 5.407 -7.642 1.00 0.00 N ATOM 299 CA HIS A 84 3.730 6.726 -7.924 1.00 0.00 C ATOM 300 C HIS A 84 2.763 6.666 -9.103 1.00 0.00 C ATOM 301 O HIS A 84 1.653 7.194 -9.035 1.00 0.00 O ATOM 302 CB HIS A 84 4.851 7.723 -8.218 1.00 0.00 C ATOM 303 CG HIS A 84 5.365 8.423 -6.998 1.00 0.00 C ATOM 304 ND1 HIS A 84 5.095 9.746 -6.718 1.00 0.00 N ATOM 305 CD2 HIS A 84 6.137 7.975 -5.980 1.00 0.00 C ATOM 306 CE1 HIS A 84 5.679 10.082 -5.582 1.00 0.00 C ATOM 307 NE2 HIS A 84 6.318 9.025 -5.114 1.00 0.00 N ATOM 0 H HIS A 84 5.295 5.336 -7.782 1.00 0.00 H new ATOM 0 HA HIS A 84 3.181 7.058 -7.043 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.676 7.198 -8.700 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.488 8.466 -8.928 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.536 6.978 -5.870 1.00 0.00 H new ATOM 0 HE1 HIS A 84 5.641 11.055 -5.115 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.858 8.994 -4.249 1.00 0.00 H new ATOM 316 N ASP A 85 3.193 6.022 -10.182 1.00 0.00 N ATOM 317 CA ASP A 85 2.366 5.894 -11.376 1.00 0.00 C ATOM 318 C ASP A 85 1.123 5.056 -11.089 1.00 0.00 C ATOM 319 O ASP A 85 0.040 5.337 -11.603 1.00 0.00 O ATOM 320 CB ASP A 85 3.169 5.263 -12.515 1.00 0.00 C ATOM 321 CG ASP A 85 2.544 5.514 -13.873 1.00 0.00 C ATOM 322 OD1 ASP A 85 2.194 6.678 -14.160 1.00 0.00 O ATOM 323 OD2 ASP A 85 2.406 4.546 -14.650 1.00 0.00 O ATOM 0 H ASP A 85 4.110 5.580 -10.255 1.00 0.00 H new ATOM 0 HA ASP A 85 2.049 6.893 -11.676 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.183 5.663 -12.506 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.248 4.189 -12.348 1.00 0.00 H new ATOM 328 N LEU A 86 1.288 4.026 -10.266 1.00 0.00 N ATOM 329 CA LEU A 86 0.180 3.146 -9.911 1.00 0.00 C ATOM 330 C LEU A 86 -0.910 3.915 -9.171 1.00 0.00 C ATOM 331 O LEU A 86 -2.101 3.707 -9.409 1.00 0.00 O ATOM 332 CB LEU A 86 0.680 1.988 -9.046 1.00 0.00 C ATOM 333 CG LEU A 86 -0.393 1.042 -8.505 1.00 0.00 C ATOM 334 CD1 LEU A 86 -1.106 0.335 -9.647 1.00 0.00 C ATOM 335 CD2 LEU A 86 0.222 0.030 -7.550 1.00 0.00 C ATOM 0 H LEU A 86 2.178 3.780 -9.832 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.244 2.746 -10.832 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.389 1.403 -9.632 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.230 2.403 -8.201 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.127 1.631 -7.955 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.866 -0.334 -9.243 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.580 1.074 -10.293 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.384 -0.243 -10.225 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.556 -0.635 -7.175 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.977 -0.555 -8.076 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.686 0.554 -6.714 1.00 0.00 H new ATOM 347 N LEU A 87 -0.496 4.804 -8.276 1.00 0.00 N ATOM 348 CA LEU A 87 -1.437 5.606 -7.502 1.00 0.00 C ATOM 349 C LEU A 87 -1.311 7.085 -7.854 1.00 0.00 C ATOM 350 O LEU A 87 -1.551 7.955 -7.018 1.00 0.00 O ATOM 351 CB LEU A 87 -1.199 5.404 -6.004 1.00 0.00 C ATOM 352 CG LEU A 87 -1.858 4.174 -5.380 1.00 0.00 C ATOM 353 CD1 LEU A 87 -1.179 3.813 -4.068 1.00 0.00 C ATOM 354 CD2 LEU A 87 -3.345 4.418 -5.163 1.00 0.00 C ATOM 0 H LEU A 87 0.485 4.988 -8.068 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.446 5.277 -7.751 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.124 5.342 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.556 6.289 -5.477 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.744 3.336 -6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.661 2.935 -3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.127 3.596 -4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.262 4.649 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.798 3.532 -4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.480 5.269 -4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.823 4.628 -6.120 1.00 0.00 H new ATOM 366 N SER A 88 -0.933 7.361 -9.098 1.00 0.00 N ATOM 367 CA SER A 88 -0.773 8.735 -9.561 1.00 0.00 C ATOM 368 C SER A 88 -2.130 9.400 -9.767 1.00 0.00 C ATOM 369 O SER A 88 -2.335 10.551 -9.379 1.00 0.00 O ATOM 370 CB SER A 88 0.026 8.766 -10.866 1.00 0.00 C ATOM 371 OG SER A 88 -0.434 7.775 -11.769 1.00 0.00 O ATOM 0 H SER A 88 -0.732 6.652 -9.803 1.00 0.00 H new ATOM 0 HA SER A 88 -0.228 9.289 -8.796 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.061 9.750 -11.326 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.083 8.606 -10.653 1.00 0.00 H new ATOM 0 HG SER A 88 -0.263 6.886 -11.394 1.00 0.00 H new ATOM 377 N ASP A 89 -3.054 8.669 -10.380 1.00 0.00 N ATOM 378 CA ASP A 89 -4.393 9.186 -10.637 1.00 0.00 C ATOM 379 C ASP A 89 -4.914 9.967 -9.435 1.00 0.00 C ATOM 380 O ASP A 89 -5.531 11.021 -9.586 1.00 0.00 O ATOM 381 CB ASP A 89 -5.350 8.041 -10.971 1.00 0.00 C ATOM 382 CG ASP A 89 -5.225 7.583 -12.411 1.00 0.00 C ATOM 383 OD1 ASP A 89 -4.123 7.720 -12.984 1.00 0.00 O ATOM 384 OD2 ASP A 89 -6.228 7.087 -12.965 1.00 0.00 O ATOM 0 H ASP A 89 -2.900 7.716 -10.709 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.337 9.862 -11.490 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -5.151 7.200 -10.307 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.375 8.361 -10.782 1.00 0.00 H new ATOM 389 N TYR A 90 -4.662 9.442 -8.241 1.00 0.00 N ATOM 390 CA TYR A 90 -5.109 10.087 -7.012 1.00 0.00 C ATOM 391 C TYR A 90 -4.079 11.100 -6.523 1.00 0.00 C ATOM 392 O TYR A 90 -3.009 11.248 -7.114 1.00 0.00 O ATOM 393 CB TYR A 90 -5.368 9.041 -5.926 1.00 0.00 C ATOM 394 CG TYR A 90 -6.144 7.839 -6.416 1.00 0.00 C ATOM 395 CD1 TYR A 90 -5.491 6.745 -6.970 1.00 0.00 C ATOM 396 CD2 TYR A 90 -7.529 7.798 -6.323 1.00 0.00 C ATOM 397 CE1 TYR A 90 -6.197 5.645 -7.419 1.00 0.00 C ATOM 398 CE2 TYR A 90 -8.243 6.702 -6.768 1.00 0.00 C ATOM 399 CZ TYR A 90 -7.572 5.628 -7.316 1.00 0.00 C ATOM 400 OH TYR A 90 -8.278 4.534 -7.761 1.00 0.00 O ATOM 0 H TYR A 90 -4.150 8.571 -8.098 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.038 10.615 -7.227 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.413 8.706 -5.521 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -5.916 9.507 -5.107 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -4.414 6.754 -7.051 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.057 8.637 -5.895 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.674 4.803 -7.848 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.320 6.686 -6.687 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.236 4.681 -7.615 1.00 0.00 H new ATOM 410 N GLU A 91 -4.409 11.795 -5.439 1.00 0.00 N ATOM 411 CA GLU A 91 -3.513 12.794 -4.870 1.00 0.00 C ATOM 412 C GLU A 91 -2.541 12.154 -3.882 1.00 0.00 C ATOM 413 O GLU A 91 -2.930 11.747 -2.787 1.00 0.00 O ATOM 414 CB GLU A 91 -4.316 13.894 -4.172 1.00 0.00 C ATOM 415 CG GLU A 91 -4.685 15.050 -5.086 1.00 0.00 C ATOM 416 CD GLU A 91 -5.521 14.612 -6.273 1.00 0.00 C ATOM 417 OE1 GLU A 91 -6.603 14.030 -6.055 1.00 0.00 O ATOM 418 OE2 GLU A 91 -5.091 14.852 -7.421 1.00 0.00 O ATOM 0 H GLU A 91 -5.290 11.684 -4.938 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.939 13.235 -5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.228 13.461 -3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.738 14.277 -3.331 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.235 15.798 -4.515 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.774 15.529 -5.445 1.00 0.00 H new ATOM 425 N LEU A 92 -1.276 12.068 -4.278 1.00 0.00 N ATOM 426 CA LEU A 92 -0.248 11.477 -3.428 1.00 0.00 C ATOM 427 C LEU A 92 0.319 12.511 -2.460 1.00 0.00 C ATOM 428 O LEU A 92 1.224 13.270 -2.805 1.00 0.00 O ATOM 429 CB LEU A 92 0.877 10.895 -4.286 1.00 0.00 C ATOM 430 CG LEU A 92 0.554 9.595 -5.024 1.00 0.00 C ATOM 431 CD1 LEU A 92 1.617 9.297 -6.070 1.00 0.00 C ATOM 432 CD2 LEU A 92 0.432 8.440 -4.041 1.00 0.00 C ATOM 0 H LEU A 92 -0.938 12.400 -5.181 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.707 10.676 -2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.170 11.644 -5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.742 10.721 -3.646 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.403 9.716 -5.532 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.371 8.368 -6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.656 10.113 -6.792 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.587 9.196 -5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.202 7.523 -4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.373 8.318 -3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.366 8.651 -3.330 1.00 0.00 H new ATOM 444 N LYS A 93 -0.218 12.532 -1.245 1.00 0.00 N ATOM 445 CA LYS A 93 0.235 13.470 -0.224 1.00 0.00 C ATOM 446 C LYS A 93 1.560 13.017 0.380 1.00 0.00 C ATOM 447 O LYS A 93 2.430 13.836 0.678 1.00 0.00 O ATOM 448 CB LYS A 93 -0.820 13.606 0.877 1.00 0.00 C ATOM 449 CG LYS A 93 -2.056 14.375 0.443 1.00 0.00 C ATOM 450 CD LYS A 93 -1.764 15.858 0.287 1.00 0.00 C ATOM 451 CE LYS A 93 -3.046 16.669 0.174 1.00 0.00 C ATOM 452 NZ LYS A 93 -3.825 16.308 -1.043 1.00 0.00 N ATOM 0 H LYS A 93 -0.968 11.910 -0.943 1.00 0.00 H new ATOM 0 HA LYS A 93 0.384 14.440 -0.697 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.119 12.611 1.207 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.374 14.107 1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.422 13.974 -0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.849 14.235 1.177 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.185 16.208 1.142 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.151 16.018 -0.600 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.659 16.504 1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.803 17.731 0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.707 16.858 -1.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.262 16.521 -1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.050 15.293 -1.023 1.00 0.00 H new ATOM 466 N TYR A 94 1.708 11.709 0.557 1.00 0.00 N ATOM 467 CA TYR A 94 2.927 11.147 1.127 1.00 0.00 C ATOM 468 C TYR A 94 3.345 9.883 0.382 1.00 0.00 C ATOM 469 O TYR A 94 2.528 8.993 0.140 1.00 0.00 O ATOM 470 CB TYR A 94 2.725 10.835 2.611 1.00 0.00 C ATOM 471 CG TYR A 94 3.853 10.033 3.220 1.00 0.00 C ATOM 472 CD1 TYR A 94 5.177 10.422 3.052 1.00 0.00 C ATOM 473 CD2 TYR A 94 3.596 8.888 3.962 1.00 0.00 C ATOM 474 CE1 TYR A 94 6.211 9.692 3.606 1.00 0.00 C ATOM 475 CE2 TYR A 94 4.623 8.153 4.521 1.00 0.00 C ATOM 476 CZ TYR A 94 5.929 8.559 4.340 1.00 0.00 C ATOM 477 OH TYR A 94 6.955 7.828 4.894 1.00 0.00 O ATOM 0 H TYR A 94 0.999 11.018 0.314 1.00 0.00 H new ATOM 0 HA TYR A 94 3.721 11.887 1.023 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.619 11.771 3.159 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.792 10.285 2.734 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.401 11.310 2.479 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.575 8.566 4.105 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.234 10.007 3.465 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.405 7.266 5.097 1.00 0.00 H new ATOM 0 HH TYR A 94 6.719 6.877 4.888 1.00 0.00 H new ATOM 487 N CYS A 95 4.621 9.812 0.022 1.00 0.00 N ATOM 488 CA CYS A 95 5.149 8.657 -0.696 1.00 0.00 C ATOM 489 C CYS A 95 6.292 8.011 0.080 1.00 0.00 C ATOM 490 O CYS A 95 7.236 8.685 0.492 1.00 0.00 O ATOM 491 CB CYS A 95 5.632 9.072 -2.087 1.00 0.00 C ATOM 492 SG CYS A 95 7.125 10.090 -2.077 1.00 0.00 S ATOM 0 H CYS A 95 5.309 10.540 0.215 1.00 0.00 H new ATOM 0 HA CYS A 95 4.346 7.927 -0.801 1.00 0.00 H new ATOM 0 HB2 CYS A 95 5.821 8.175 -2.677 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.834 9.621 -2.588 1.00 0.00 H new ATOM 0 HG CYS A 95 7.796 9.866 -0.986 1.00 0.00 H new ATOM 498 N PHE A 96 6.200 6.700 0.276 1.00 0.00 N ATOM 499 CA PHE A 96 7.225 5.962 1.005 1.00 0.00 C ATOM 500 C PHE A 96 7.460 4.592 0.376 1.00 0.00 C ATOM 501 O PHE A 96 6.542 3.778 0.273 1.00 0.00 O ATOM 502 CB PHE A 96 6.821 5.800 2.472 1.00 0.00 C ATOM 503 CG PHE A 96 7.848 5.083 3.301 1.00 0.00 C ATOM 504 CD1 PHE A 96 7.819 3.703 3.424 1.00 0.00 C ATOM 505 CD2 PHE A 96 8.842 5.790 3.959 1.00 0.00 C ATOM 506 CE1 PHE A 96 8.762 3.041 4.186 1.00 0.00 C ATOM 507 CE2 PHE A 96 9.789 5.133 4.722 1.00 0.00 C ATOM 508 CZ PHE A 96 9.748 3.757 4.837 1.00 0.00 C ATOM 0 H PHE A 96 5.426 6.127 -0.060 1.00 0.00 H new ATOM 0 HA PHE A 96 8.153 6.531 0.952 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.642 6.785 2.902 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.879 5.254 2.523 1.00 0.00 H new ATOM 0 HD1 PHE A 96 7.050 3.138 2.918 1.00 0.00 H new ATOM 0 HD2 PHE A 96 8.877 6.866 3.875 1.00 0.00 H new ATOM 0 HE1 PHE A 96 8.729 1.965 4.273 1.00 0.00 H new ATOM 0 HE2 PHE A 96 10.560 5.695 5.228 1.00 0.00 H new ATOM 0 HZ PHE A 96 10.485 3.242 5.435 1.00 0.00 H new ATOM 518 N VAL A 97 8.697 4.344 -0.043 1.00 0.00 N ATOM 519 CA VAL A 97 9.054 3.073 -0.662 1.00 0.00 C ATOM 520 C VAL A 97 10.209 2.407 0.079 1.00 0.00 C ATOM 521 O VAL A 97 11.309 2.954 0.155 1.00 0.00 O ATOM 522 CB VAL A 97 9.446 3.258 -2.140 1.00 0.00 C ATOM 523 CG1 VAL A 97 10.066 1.984 -2.692 1.00 0.00 C ATOM 524 CG2 VAL A 97 8.236 3.673 -2.963 1.00 0.00 C ATOM 0 H VAL A 97 9.469 5.007 0.035 1.00 0.00 H new ATOM 0 HA VAL A 97 8.172 2.435 -0.605 1.00 0.00 H new ATOM 0 HB VAL A 97 10.190 4.052 -2.204 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.336 2.134 -3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.959 1.736 -2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.348 1.168 -2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.531 3.799 -4.005 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.468 2.903 -2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.841 4.614 -2.581 1.00 0.00 H new ATOM 534 N ASP A 98 9.950 1.222 0.622 1.00 0.00 N ATOM 535 CA ASP A 98 10.969 0.479 1.356 1.00 0.00 C ATOM 536 C ASP A 98 11.282 -0.843 0.662 1.00 0.00 C ATOM 537 O ASP A 98 10.586 -1.839 0.858 1.00 0.00 O ATOM 538 CB ASP A 98 10.506 0.220 2.790 1.00 0.00 C ATOM 539 CG ASP A 98 11.513 -0.589 3.586 1.00 0.00 C ATOM 540 OD1 ASP A 98 12.254 -1.382 2.970 1.00 0.00 O ATOM 541 OD2 ASP A 98 11.558 -0.429 4.823 1.00 0.00 O ATOM 0 H ASP A 98 9.044 0.756 0.568 1.00 0.00 H new ATOM 0 HA ASP A 98 11.878 1.080 1.379 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.332 1.173 3.290 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.553 -0.309 2.771 1.00 0.00 H new ATOM 546 N LYS A 99 12.333 -0.844 -0.150 1.00 0.00 N ATOM 547 CA LYS A 99 12.740 -2.043 -0.874 1.00 0.00 C ATOM 548 C LYS A 99 13.266 -3.105 0.086 1.00 0.00 C ATOM 549 O LYS A 99 12.972 -4.292 -0.064 1.00 0.00 O ATOM 550 CB LYS A 99 13.813 -1.699 -1.909 1.00 0.00 C ATOM 551 CG LYS A 99 15.129 -1.253 -1.296 1.00 0.00 C ATOM 552 CD LYS A 99 16.148 -0.893 -2.364 1.00 0.00 C ATOM 553 CE LYS A 99 16.033 0.567 -2.775 1.00 0.00 C ATOM 554 NZ LYS A 99 16.953 0.901 -3.897 1.00 0.00 N ATOM 0 H LYS A 99 12.919 -0.028 -0.324 1.00 0.00 H new ATOM 0 HA LYS A 99 11.865 -2.443 -1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 99 13.992 -2.571 -2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.438 -0.908 -2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.957 -0.392 -0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.526 -2.049 -0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.153 -1.089 -1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.003 -1.530 -3.236 1.00 0.00 H new ATOM 0 HE2 LYS A 99 15.006 0.781 -3.071 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.257 1.204 -1.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.845 1.904 -4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.935 0.721 -3.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.723 0.311 -4.722 1.00 0.00 H new ATOM 568 N TYR A 100 14.044 -2.672 1.072 1.00 0.00 N ATOM 569 CA TYR A 100 14.611 -3.586 2.056 1.00 0.00 C ATOM 570 C TYR A 100 13.606 -4.668 2.439 1.00 0.00 C ATOM 571 O TYR A 100 13.785 -5.842 2.116 1.00 0.00 O ATOM 572 CB TYR A 100 15.051 -2.818 3.303 1.00 0.00 C ATOM 573 CG TYR A 100 15.820 -1.553 2.995 1.00 0.00 C ATOM 574 CD1 TYR A 100 16.981 -1.591 2.233 1.00 0.00 C ATOM 575 CD2 TYR A 100 15.386 -0.320 3.467 1.00 0.00 C ATOM 576 CE1 TYR A 100 17.688 -0.438 1.950 1.00 0.00 C ATOM 577 CE2 TYR A 100 16.085 0.838 3.188 1.00 0.00 C ATOM 578 CZ TYR A 100 17.235 0.774 2.429 1.00 0.00 C ATOM 579 OH TYR A 100 17.935 1.926 2.149 1.00 0.00 O ATOM 0 H TYR A 100 14.296 -1.693 1.211 1.00 0.00 H new ATOM 0 HA TYR A 100 15.481 -4.067 1.608 1.00 0.00 H new ATOM 0 HB2 TYR A 100 14.170 -2.563 3.892 1.00 0.00 H new ATOM 0 HB3 TYR A 100 15.670 -3.469 3.920 1.00 0.00 H new ATOM 0 HD1 TYR A 100 17.337 -2.538 1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 100 14.486 -0.266 4.062 1.00 0.00 H new ATOM 0 HE1 TYR A 100 18.590 -0.485 1.357 1.00 0.00 H new ATOM 0 HE2 TYR A 100 15.733 1.788 3.562 1.00 0.00 H new ATOM 0 HH TYR A 100 17.482 2.692 2.559 1.00 0.00 H new ATOM 589 N LYS A 101 12.546 -4.262 3.130 1.00 0.00 N ATOM 590 CA LYS A 101 11.508 -5.193 3.557 1.00 0.00 C ATOM 591 C LYS A 101 10.742 -5.742 2.358 1.00 0.00 C ATOM 592 O LYS A 101 10.372 -6.915 2.329 1.00 0.00 O ATOM 593 CB LYS A 101 10.541 -4.503 4.522 1.00 0.00 C ATOM 594 CG LYS A 101 11.220 -3.906 5.742 1.00 0.00 C ATOM 595 CD LYS A 101 11.427 -4.946 6.830 1.00 0.00 C ATOM 596 CE LYS A 101 12.564 -4.559 7.762 1.00 0.00 C ATOM 597 NZ LYS A 101 13.002 -5.704 8.609 1.00 0.00 N ATOM 0 H LYS A 101 12.383 -3.294 3.406 1.00 0.00 H new ATOM 0 HA LYS A 101 11.990 -6.026 4.069 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.011 -3.713 3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.792 -5.224 4.850 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.182 -3.484 5.453 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.616 -3.086 6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.508 -5.061 7.404 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.642 -5.913 6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.408 -4.198 7.174 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.245 -3.736 8.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.778 -5.399 9.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.203 -6.032 9.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.330 -6.481 8.000 1.00 0.00 H new ATOM 611 N GLY A 102 10.509 -4.886 1.368 1.00 0.00 N ATOM 612 CA GLY A 102 9.790 -5.304 0.179 1.00 0.00 C ATOM 613 C GLY A 102 8.353 -4.823 0.171 1.00 0.00 C ATOM 614 O GLY A 102 7.479 -5.460 -0.418 1.00 0.00 O ATOM 0 H GLY A 102 10.806 -3.910 1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.302 -4.923 -0.704 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.806 -6.392 0.112 1.00 0.00 H new ATOM 618 N THR A 103 8.104 -3.694 0.829 1.00 0.00 N ATOM 619 CA THR A 103 6.763 -3.129 0.899 1.00 0.00 C ATOM 620 C THR A 103 6.777 -1.638 0.580 1.00 0.00 C ATOM 621 O THR A 103 7.839 -1.025 0.485 1.00 0.00 O ATOM 622 CB THR A 103 6.136 -3.340 2.290 1.00 0.00 C ATOM 623 OG1 THR A 103 6.853 -2.581 3.270 1.00 0.00 O ATOM 624 CG2 THR A 103 6.149 -4.812 2.672 1.00 0.00 C ATOM 0 H THR A 103 8.815 -3.153 1.321 1.00 0.00 H new ATOM 0 HA THR A 103 6.161 -3.651 0.155 1.00 0.00 H new ATOM 0 HB THR A 103 5.101 -3.000 2.253 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.258 -1.908 3.662 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.701 -4.936 3.658 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.578 -5.383 1.940 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.177 -5.174 2.692 1.00 0.00 H new ATOM 632 N ALA A 104 5.591 -1.062 0.417 1.00 0.00 N ATOM 633 CA ALA A 104 5.467 0.358 0.112 1.00 0.00 C ATOM 634 C ALA A 104 4.272 0.973 0.833 1.00 0.00 C ATOM 635 O ALA A 104 3.158 0.452 0.764 1.00 0.00 O ATOM 636 CB ALA A 104 5.344 0.567 -1.390 1.00 0.00 C ATOM 0 H ALA A 104 4.702 -1.557 0.491 1.00 0.00 H new ATOM 0 HA ALA A 104 6.368 0.859 0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 104 5.252 1.632 -1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.231 0.173 -1.886 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.461 0.046 -1.759 1.00 0.00 H new ATOM 642 N PHE A 105 4.511 2.082 1.525 1.00 0.00 N ATOM 643 CA PHE A 105 3.454 2.766 2.261 1.00 0.00 C ATOM 644 C PHE A 105 3.125 4.110 1.617 1.00 0.00 C ATOM 645 O PHE A 105 4.003 4.952 1.429 1.00 0.00 O ATOM 646 CB PHE A 105 3.870 2.975 3.718 1.00 0.00 C ATOM 647 CG PHE A 105 4.141 1.693 4.454 1.00 0.00 C ATOM 648 CD1 PHE A 105 3.107 0.994 5.055 1.00 0.00 C ATOM 649 CD2 PHE A 105 5.428 1.189 4.543 1.00 0.00 C ATOM 650 CE1 PHE A 105 3.353 -0.185 5.733 1.00 0.00 C ATOM 651 CE2 PHE A 105 5.680 0.010 5.220 1.00 0.00 C ATOM 652 CZ PHE A 105 4.641 -0.678 5.815 1.00 0.00 C ATOM 0 H PHE A 105 5.427 2.526 1.592 1.00 0.00 H new ATOM 0 HA PHE A 105 2.562 2.140 2.231 1.00 0.00 H new ATOM 0 HB2 PHE A 105 4.765 3.597 3.746 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.084 3.523 4.237 1.00 0.00 H new ATOM 0 HD1 PHE A 105 2.098 1.374 4.993 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.244 1.723 4.078 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.539 -0.721 6.198 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.688 -0.372 5.283 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.835 -1.600 6.343 1.00 0.00 H new ATOM 662 N VAL A 106 1.854 4.303 1.279 1.00 0.00 N ATOM 663 CA VAL A 106 1.408 5.543 0.657 1.00 0.00 C ATOM 664 C VAL A 106 0.146 6.073 1.329 1.00 0.00 C ATOM 665 O VAL A 106 -0.807 5.328 1.562 1.00 0.00 O ATOM 666 CB VAL A 106 1.133 5.349 -0.846 1.00 0.00 C ATOM 667 CG1 VAL A 106 0.729 6.667 -1.490 1.00 0.00 C ATOM 668 CG2 VAL A 106 2.352 4.760 -1.539 1.00 0.00 C ATOM 0 H VAL A 106 1.115 3.616 1.426 1.00 0.00 H new ATOM 0 HA VAL A 106 2.213 6.267 0.782 1.00 0.00 H new ATOM 0 HB VAL A 106 0.306 4.648 -0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.539 6.510 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.175 7.044 -1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.533 7.393 -1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.140 4.630 -2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.200 5.434 -1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 106 2.591 3.793 -1.096 1.00 0.00 H new ATOM 678 N THR A 107 0.145 7.366 1.639 1.00 0.00 N ATOM 679 CA THR A 107 -0.999 7.996 2.285 1.00 0.00 C ATOM 680 C THR A 107 -1.769 8.874 1.305 1.00 0.00 C ATOM 681 O THR A 107 -1.227 9.838 0.761 1.00 0.00 O ATOM 682 CB THR A 107 -0.564 8.850 3.490 1.00 0.00 C ATOM 683 OG1 THR A 107 0.371 8.123 4.294 1.00 0.00 O ATOM 684 CG2 THR A 107 -1.765 9.247 4.334 1.00 0.00 C ATOM 0 H THR A 107 0.924 7.997 1.453 1.00 0.00 H new ATOM 0 HA THR A 107 -1.647 7.192 2.635 1.00 0.00 H new ATOM 0 HB THR A 107 -0.090 9.756 3.112 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.644 8.674 5.057 1.00 0.00 H new ATOM 0 HG21 THR A 107 -1.433 9.850 5.179 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.461 9.826 3.727 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.264 8.350 4.702 1.00 0.00 H new ATOM 692 N LEU A 108 -3.035 8.537 1.084 1.00 0.00 N ATOM 693 CA LEU A 108 -3.880 9.297 0.169 1.00 0.00 C ATOM 694 C LEU A 108 -4.535 10.474 0.884 1.00 0.00 C ATOM 695 O LEU A 108 -4.327 10.682 2.080 1.00 0.00 O ATOM 696 CB LEU A 108 -4.955 8.391 -0.435 1.00 0.00 C ATOM 697 CG LEU A 108 -4.569 7.656 -1.719 1.00 0.00 C ATOM 698 CD1 LEU A 108 -5.607 6.599 -2.062 1.00 0.00 C ATOM 699 CD2 LEU A 108 -4.409 8.641 -2.869 1.00 0.00 C ATOM 0 H LEU A 108 -3.499 7.743 1.526 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.250 9.686 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.240 7.650 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.839 8.995 -0.638 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.613 7.158 -1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.315 6.087 -2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.674 5.877 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.577 7.075 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.134 8.101 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.350 9.167 -3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.628 9.361 -2.625 1.00 0.00 H new ATOM 711 N LEU A 109 -5.329 11.241 0.145 1.00 0.00 N ATOM 712 CA LEU A 109 -6.017 12.398 0.708 1.00 0.00 C ATOM 713 C LEU A 109 -7.241 11.966 1.509 1.00 0.00 C ATOM 714 O LEU A 109 -7.316 12.191 2.716 1.00 0.00 O ATOM 715 CB LEU A 109 -6.435 13.359 -0.406 1.00 0.00 C ATOM 716 CG LEU A 109 -7.487 14.404 -0.031 1.00 0.00 C ATOM 717 CD1 LEU A 109 -6.950 15.343 1.038 1.00 0.00 C ATOM 718 CD2 LEU A 109 -7.924 15.186 -1.260 1.00 0.00 C ATOM 0 H LEU A 109 -5.512 11.083 -0.846 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.328 12.909 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.546 13.879 -0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -6.817 12.772 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.357 13.886 0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -7.712 16.079 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.689 14.770 1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.063 15.854 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -8.673 15.925 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.062 15.692 -1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.351 14.502 -1.994 1.00 0.00 H new ATOM 730 N ASN A 110 -8.197 11.342 0.828 1.00 0.00 N ATOM 731 CA ASN A 110 -9.418 10.877 1.477 1.00 0.00 C ATOM 732 C ASN A 110 -9.407 9.359 1.632 1.00 0.00 C ATOM 733 O ASN A 110 -8.472 8.687 1.199 1.00 0.00 O ATOM 734 CB ASN A 110 -10.645 11.309 0.672 1.00 0.00 C ATOM 735 CG ASN A 110 -10.697 12.810 0.459 1.00 0.00 C ATOM 736 OD1 ASN A 110 -10.331 13.587 1.341 1.00 0.00 O ATOM 737 ND2 ASN A 110 -11.153 13.225 -0.717 1.00 0.00 N ATOM 0 H ASN A 110 -8.150 11.147 -0.172 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.466 11.326 2.469 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -10.636 10.807 -0.296 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -11.548 10.987 1.190 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -11.211 14.223 -0.918 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.446 12.545 -1.419 1.00 0.00 H new ATOM 744 N GLY A 111 -10.454 8.825 2.254 1.00 0.00 N ATOM 745 CA GLY A 111 -10.545 7.391 2.456 1.00 0.00 C ATOM 746 C GLY A 111 -11.058 6.665 1.228 1.00 0.00 C ATOM 747 O GLY A 111 -10.689 5.518 0.978 1.00 0.00 O ATOM 0 H GLY A 111 -11.241 9.360 2.622 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.562 7.001 2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -11.206 7.187 3.298 1.00 0.00 H new ATOM 751 N GLU A 112 -11.913 7.334 0.460 1.00 0.00 N ATOM 752 CA GLU A 112 -12.479 6.743 -0.747 1.00 0.00 C ATOM 753 C GLU A 112 -11.377 6.332 -1.719 1.00 0.00 C ATOM 754 O GLU A 112 -11.420 5.246 -2.297 1.00 0.00 O ATOM 755 CB GLU A 112 -13.431 7.729 -1.426 1.00 0.00 C ATOM 756 CG GLU A 112 -14.608 8.137 -0.555 1.00 0.00 C ATOM 757 CD GLU A 112 -15.778 8.663 -1.363 1.00 0.00 C ATOM 758 OE1 GLU A 112 -15.641 9.746 -1.969 1.00 0.00 O ATOM 759 OE2 GLU A 112 -16.830 7.991 -1.389 1.00 0.00 O ATOM 0 H GLU A 112 -12.228 8.285 0.652 1.00 0.00 H new ATOM 0 HA GLU A 112 -13.036 5.852 -0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.874 8.622 -1.711 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -13.808 7.282 -2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -14.934 7.279 0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -14.285 8.903 0.150 1.00 0.00 H new ATOM 766 N GLN A 113 -10.392 7.208 -1.894 1.00 0.00 N ATOM 767 CA GLN A 113 -9.280 6.936 -2.797 1.00 0.00 C ATOM 768 C GLN A 113 -8.490 5.716 -2.336 1.00 0.00 C ATOM 769 O GLN A 113 -8.026 4.920 -3.151 1.00 0.00 O ATOM 770 CB GLN A 113 -8.358 8.153 -2.884 1.00 0.00 C ATOM 771 CG GLN A 113 -9.076 9.434 -3.278 1.00 0.00 C ATOM 772 CD GLN A 113 -8.127 10.506 -3.777 1.00 0.00 C ATOM 773 OE1 GLN A 113 -7.899 10.639 -4.979 1.00 0.00 O ATOM 774 NE2 GLN A 113 -7.568 11.278 -2.852 1.00 0.00 N ATOM 0 H GLN A 113 -10.342 8.111 -1.423 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.690 6.728 -3.785 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -7.873 8.300 -1.919 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -7.570 7.950 -3.609 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -9.807 9.212 -4.055 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.629 9.815 -2.419 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -7.786 11.132 -1.866 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -6.921 12.017 -3.127 1.00 0.00 H new ATOM 783 N ALA A 114 -8.339 5.577 -1.022 1.00 0.00 N ATOM 784 CA ALA A 114 -7.606 4.453 -0.453 1.00 0.00 C ATOM 785 C ALA A 114 -8.352 3.142 -0.674 1.00 0.00 C ATOM 786 O ALA A 114 -7.759 2.141 -1.076 1.00 0.00 O ATOM 787 CB ALA A 114 -7.363 4.680 1.032 1.00 0.00 C ATOM 0 H ALA A 114 -8.714 6.229 -0.333 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.645 4.383 -0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -6.815 3.833 1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.781 5.591 1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.319 4.778 1.546 1.00 0.00 H new ATOM 793 N GLU A 115 -9.655 3.155 -0.409 1.00 0.00 N ATOM 794 CA GLU A 115 -10.480 1.965 -0.579 1.00 0.00 C ATOM 795 C GLU A 115 -10.452 1.486 -2.027 1.00 0.00 C ATOM 796 O GLU A 115 -10.276 0.298 -2.296 1.00 0.00 O ATOM 797 CB GLU A 115 -11.921 2.252 -0.153 1.00 0.00 C ATOM 798 CG GLU A 115 -12.907 1.175 -0.575 1.00 0.00 C ATOM 799 CD GLU A 115 -14.076 1.047 0.382 1.00 0.00 C ATOM 800 OE1 GLU A 115 -13.864 0.566 1.515 1.00 0.00 O ATOM 801 OE2 GLU A 115 -15.202 1.427 -0.002 1.00 0.00 O ATOM 0 H GLU A 115 -10.161 3.976 -0.076 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.071 1.177 0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.956 2.360 0.931 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -12.234 3.206 -0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -13.282 1.402 -1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -12.389 0.218 -0.640 1.00 0.00 H new ATOM 808 N ALA A 116 -10.628 2.419 -2.957 1.00 0.00 N ATOM 809 CA ALA A 116 -10.622 2.093 -4.378 1.00 0.00 C ATOM 810 C ALA A 116 -9.287 1.489 -4.796 1.00 0.00 C ATOM 811 O ALA A 116 -9.245 0.485 -5.507 1.00 0.00 O ATOM 812 CB ALA A 116 -10.925 3.334 -5.205 1.00 0.00 C ATOM 0 H ALA A 116 -10.777 3.407 -2.752 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.399 1.351 -4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.917 3.076 -6.264 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -11.907 3.722 -4.933 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -10.168 4.094 -5.011 1.00 0.00 H new ATOM 818 N ALA A 117 -8.197 2.107 -4.352 1.00 0.00 N ATOM 819 CA ALA A 117 -6.860 1.629 -4.680 1.00 0.00 C ATOM 820 C ALA A 117 -6.610 0.247 -4.086 1.00 0.00 C ATOM 821 O ALA A 117 -6.070 -0.637 -4.752 1.00 0.00 O ATOM 822 CB ALA A 117 -5.811 2.615 -4.187 1.00 0.00 C ATOM 0 H ALA A 117 -8.214 2.940 -3.764 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.786 1.549 -5.764 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.817 2.245 -4.439 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.969 3.583 -4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.894 2.724 -3.106 1.00 0.00 H new ATOM 828 N ILE A 118 -7.006 0.067 -2.830 1.00 0.00 N ATOM 829 CA ILE A 118 -6.824 -1.208 -2.148 1.00 0.00 C ATOM 830 C ILE A 118 -7.702 -2.291 -2.765 1.00 0.00 C ATOM 831 O ILE A 118 -7.278 -3.436 -2.916 1.00 0.00 O ATOM 832 CB ILE A 118 -7.149 -1.094 -0.646 1.00 0.00 C ATOM 833 CG1 ILE A 118 -6.164 -0.146 0.040 1.00 0.00 C ATOM 834 CG2 ILE A 118 -7.115 -2.466 0.008 1.00 0.00 C ATOM 835 CD1 ILE A 118 -6.555 0.210 1.457 1.00 0.00 C ATOM 0 H ILE A 118 -7.455 0.788 -2.265 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.776 -1.482 -2.265 1.00 0.00 H new ATOM 0 HB ILE A 118 -8.154 -0.686 -0.536 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.176 -0.606 0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -6.084 0.769 -0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.346 -2.369 1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.852 -3.114 -0.467 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.122 -2.900 -0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -5.811 0.885 1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -7.529 0.699 1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -6.607 -0.697 2.059 1.00 0.00 H new ATOM 847 N ASN A 119 -8.927 -1.921 -3.122 1.00 0.00 N ATOM 848 CA ASN A 119 -9.865 -2.861 -3.725 1.00 0.00 C ATOM 849 C ASN A 119 -9.300 -3.439 -5.019 1.00 0.00 C ATOM 850 O ASN A 119 -9.415 -4.637 -5.280 1.00 0.00 O ATOM 851 CB ASN A 119 -11.203 -2.172 -4.002 1.00 0.00 C ATOM 852 CG ASN A 119 -12.376 -3.129 -3.911 1.00 0.00 C ATOM 853 OD1 ASN A 119 -12.219 -4.339 -4.079 1.00 0.00 O ATOM 854 ND2 ASN A 119 -13.560 -2.590 -3.644 1.00 0.00 N ATOM 0 H ASN A 119 -9.294 -0.977 -3.004 1.00 0.00 H new ATOM 0 HA ASN A 119 -10.024 -3.679 -3.022 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.344 -1.359 -3.289 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -11.179 -1.724 -4.995 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -14.386 -3.184 -3.571 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -13.643 -1.582 -3.512 1.00 0.00 H new ATOM 861 N THR A 120 -8.687 -2.579 -5.826 1.00 0.00 N ATOM 862 CA THR A 120 -8.105 -3.003 -7.093 1.00 0.00 C ATOM 863 C THR A 120 -6.749 -3.666 -6.880 1.00 0.00 C ATOM 864 O THR A 120 -6.488 -4.751 -7.401 1.00 0.00 O ATOM 865 CB THR A 120 -7.936 -1.815 -8.059 1.00 0.00 C ATOM 866 OG1 THR A 120 -9.196 -1.165 -8.261 1.00 0.00 O ATOM 867 CG2 THR A 120 -7.379 -2.280 -9.396 1.00 0.00 C ATOM 0 H THR A 120 -8.581 -1.585 -5.625 1.00 0.00 H new ATOM 0 HA THR A 120 -8.795 -3.724 -7.532 1.00 0.00 H new ATOM 0 HB THR A 120 -7.232 -1.111 -7.615 1.00 0.00 H new ATOM 0 HG1 THR A 120 -9.388 -0.580 -7.499 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.268 -1.424 -10.062 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.407 -2.748 -9.242 1.00 0.00 H new ATOM 0 HG23 THR A 120 -8.062 -3.002 -9.844 1.00 0.00 H new ATOM 875 N PHE A 121 -5.888 -3.008 -6.111 1.00 0.00 N ATOM 876 CA PHE A 121 -4.557 -3.535 -5.829 1.00 0.00 C ATOM 877 C PHE A 121 -4.645 -4.880 -5.114 1.00 0.00 C ATOM 878 O PHE A 121 -3.808 -5.759 -5.317 1.00 0.00 O ATOM 879 CB PHE A 121 -3.763 -2.542 -4.977 1.00 0.00 C ATOM 880 CG PHE A 121 -3.669 -1.172 -5.584 1.00 0.00 C ATOM 881 CD1 PHE A 121 -3.848 -0.989 -6.946 1.00 0.00 C ATOM 882 CD2 PHE A 121 -3.402 -0.066 -4.793 1.00 0.00 C ATOM 883 CE1 PHE A 121 -3.762 0.271 -7.507 1.00 0.00 C ATOM 884 CE2 PHE A 121 -3.315 1.197 -5.349 1.00 0.00 C ATOM 885 CZ PHE A 121 -3.496 1.365 -6.707 1.00 0.00 C ATOM 0 H PHE A 121 -6.088 -2.109 -5.672 1.00 0.00 H new ATOM 0 HA PHE A 121 -4.042 -3.682 -6.779 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.229 -2.464 -3.995 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -2.757 -2.932 -4.822 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -4.057 -1.841 -7.576 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -3.260 -0.192 -3.730 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -3.903 0.400 -8.570 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -3.106 2.051 -4.722 1.00 0.00 H new ATOM 0 HZ PHE A 121 -3.430 2.351 -7.143 1.00 0.00 H new ATOM 895 N HIS A 122 -5.665 -5.032 -4.275 1.00 0.00 N ATOM 896 CA HIS A 122 -5.863 -6.270 -3.529 1.00 0.00 C ATOM 897 C HIS A 122 -6.179 -7.427 -4.472 1.00 0.00 C ATOM 898 O HIS A 122 -6.601 -7.216 -5.608 1.00 0.00 O ATOM 899 CB HIS A 122 -6.993 -6.102 -2.512 1.00 0.00 C ATOM 900 CG HIS A 122 -7.445 -7.392 -1.900 1.00 0.00 C ATOM 901 ND1 HIS A 122 -6.607 -8.217 -1.179 1.00 0.00 N ATOM 902 CD2 HIS A 122 -8.655 -7.998 -1.904 1.00 0.00 C ATOM 903 CE1 HIS A 122 -7.283 -9.275 -0.767 1.00 0.00 C ATOM 904 NE2 HIS A 122 -8.528 -9.166 -1.193 1.00 0.00 N ATOM 0 H HIS A 122 -6.367 -4.314 -4.095 1.00 0.00 H new ATOM 0 HA HIS A 122 -4.938 -6.498 -2.999 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -6.661 -5.430 -1.720 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -7.842 -5.624 -3.000 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -9.553 -7.631 -2.378 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -6.885 -10.090 -0.181 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -9.274 -9.840 -1.022 1.00 0.00 H new ATOM 913 N GLN A 123 -5.971 -8.649 -3.991 1.00 0.00 N ATOM 914 CA GLN A 123 -6.233 -9.839 -4.792 1.00 0.00 C ATOM 915 C GLN A 123 -5.609 -9.711 -6.177 1.00 0.00 C ATOM 916 O GLN A 123 -6.101 -10.288 -7.147 1.00 0.00 O ATOM 917 CB GLN A 123 -7.739 -10.074 -4.917 1.00 0.00 C ATOM 918 CG GLN A 123 -8.447 -9.037 -5.774 1.00 0.00 C ATOM 919 CD GLN A 123 -9.781 -9.528 -6.301 1.00 0.00 C ATOM 920 OE1 GLN A 123 -10.319 -10.529 -5.827 1.00 0.00 O ATOM 921 NE2 GLN A 123 -10.323 -8.824 -7.288 1.00 0.00 N ATOM 0 H GLN A 123 -5.622 -8.841 -3.052 1.00 0.00 H new ATOM 0 HA GLN A 123 -5.780 -10.693 -4.288 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -7.910 -11.063 -5.342 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.182 -10.074 -3.921 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -8.603 -8.132 -5.187 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -7.806 -8.766 -6.613 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -9.842 -8.001 -7.651 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.220 -9.107 -7.683 1.00 0.00 H new ATOM 930 N SER A 124 -4.523 -8.950 -6.264 1.00 0.00 N ATOM 931 CA SER A 124 -3.833 -8.742 -7.532 1.00 0.00 C ATOM 932 C SER A 124 -2.530 -9.533 -7.578 1.00 0.00 C ATOM 933 O SER A 124 -2.055 -10.028 -6.555 1.00 0.00 O ATOM 934 CB SER A 124 -3.548 -7.254 -7.744 1.00 0.00 C ATOM 935 OG SER A 124 -2.409 -6.843 -7.008 1.00 0.00 O ATOM 0 H SER A 124 -4.101 -8.467 -5.471 1.00 0.00 H new ATOM 0 HA SER A 124 -4.482 -9.098 -8.333 1.00 0.00 H new ATOM 0 HB2 SER A 124 -3.390 -7.058 -8.805 1.00 0.00 H new ATOM 0 HB3 SER A 124 -4.414 -6.667 -7.438 1.00 0.00 H new ATOM 0 HG SER A 124 -2.662 -6.685 -6.075 1.00 0.00 H new ATOM 941 N ARG A 125 -1.956 -9.647 -8.771 1.00 0.00 N ATOM 942 CA ARG A 125 -0.708 -10.379 -8.952 1.00 0.00 C ATOM 943 C ARG A 125 0.217 -9.645 -9.918 1.00 0.00 C ATOM 944 O ARG A 125 -0.239 -9.010 -10.870 1.00 0.00 O ATOM 945 CB ARG A 125 -0.990 -11.790 -9.472 1.00 0.00 C ATOM 946 CG ARG A 125 -1.551 -12.727 -8.415 1.00 0.00 C ATOM 947 CD ARG A 125 -1.309 -14.184 -8.778 1.00 0.00 C ATOM 948 NE ARG A 125 -2.096 -15.093 -7.948 1.00 0.00 N ATOM 949 CZ ARG A 125 -2.342 -16.357 -8.272 1.00 0.00 C ATOM 950 NH1 ARG A 125 -1.866 -16.860 -9.402 1.00 0.00 N ATOM 951 NH2 ARG A 125 -3.066 -17.121 -7.464 1.00 0.00 N ATOM 0 H ARG A 125 -2.335 -9.242 -9.627 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.213 -10.448 -7.983 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.694 -11.728 -10.302 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.067 -12.213 -9.868 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.089 -12.509 -7.452 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.621 -12.552 -8.302 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -1.559 -14.343 -9.827 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -0.250 -14.415 -8.664 1.00 0.00 H new ATOM 0 HE ARG A 125 -2.477 -14.737 -7.071 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -1.309 -16.276 -10.026 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -2.057 -17.831 -9.648 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -3.434 -16.737 -6.593 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -3.255 -18.092 -7.713 1.00 0.00 H new ATOM 965 N LEU A 126 1.519 -9.736 -9.667 1.00 0.00 N ATOM 966 CA LEU A 126 2.509 -9.080 -10.514 1.00 0.00 C ATOM 967 C LEU A 126 3.727 -9.975 -10.720 1.00 0.00 C ATOM 968 O LEU A 126 4.389 -10.371 -9.761 1.00 0.00 O ATOM 969 CB LEU A 126 2.939 -7.750 -9.893 1.00 0.00 C ATOM 970 CG LEU A 126 4.113 -7.041 -10.570 1.00 0.00 C ATOM 971 CD1 LEU A 126 3.673 -6.420 -11.887 1.00 0.00 C ATOM 972 CD2 LEU A 126 4.700 -5.982 -9.649 1.00 0.00 C ATOM 0 H LEU A 126 1.913 -10.258 -8.884 1.00 0.00 H new ATOM 0 HA LEU A 126 2.052 -8.890 -11.485 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.082 -7.076 -9.897 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.200 -7.927 -8.850 1.00 0.00 H new ATOM 0 HG LEU A 126 4.886 -7.780 -10.780 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.521 -5.920 -12.355 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.301 -7.200 -12.551 1.00 0.00 H new ATOM 0 HD13 LEU A 126 2.881 -5.694 -11.701 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.534 -5.488 -10.147 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.934 -5.245 -9.407 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.053 -6.453 -8.732 1.00 0.00 H new ATOM 984 N ARG A 127 4.017 -10.288 -11.979 1.00 0.00 N ATOM 985 CA ARG A 127 5.156 -11.136 -12.312 1.00 0.00 C ATOM 986 C ARG A 127 5.015 -12.513 -11.669 1.00 0.00 C ATOM 987 O ARG A 127 5.906 -12.967 -10.952 1.00 0.00 O ATOM 988 CB ARG A 127 6.459 -10.478 -11.853 1.00 0.00 C ATOM 989 CG ARG A 127 6.859 -9.271 -12.686 1.00 0.00 C ATOM 990 CD ARG A 127 7.707 -9.676 -13.882 1.00 0.00 C ATOM 991 NE ARG A 127 8.038 -8.533 -14.729 1.00 0.00 N ATOM 992 CZ ARG A 127 8.803 -8.619 -15.812 1.00 0.00 C ATOM 993 NH1 ARG A 127 9.311 -9.787 -16.178 1.00 0.00 N ATOM 994 NH2 ARG A 127 9.059 -7.534 -16.532 1.00 0.00 N ATOM 0 H ARG A 127 3.480 -9.967 -12.785 1.00 0.00 H new ATOM 0 HA ARG A 127 5.181 -11.261 -13.395 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.354 -10.172 -10.812 1.00 0.00 H new ATOM 0 HB3 ARG A 127 7.261 -11.215 -11.889 1.00 0.00 H new ATOM 0 HG2 ARG A 127 5.964 -8.753 -13.032 1.00 0.00 H new ATOM 0 HG3 ARG A 127 7.415 -8.568 -12.066 1.00 0.00 H new ATOM 0 HD2 ARG A 127 8.626 -10.147 -13.532 1.00 0.00 H new ATOM 0 HD3 ARG A 127 7.172 -10.421 -14.471 1.00 0.00 H new ATOM 0 HE ARG A 127 7.662 -7.620 -14.475 1.00 0.00 H new ATOM 0 HH11 ARG A 127 9.115 -10.623 -15.628 1.00 0.00 H new ATOM 0 HH12 ARG A 127 9.898 -9.850 -17.010 1.00 0.00 H new ATOM 0 HH21 ARG A 127 8.668 -6.634 -16.254 1.00 0.00 H new ATOM 0 HH22 ARG A 127 9.646 -7.600 -17.363 1.00 0.00 H new ATOM 1008 N GLU A 128 3.891 -13.170 -11.932 1.00 0.00 N ATOM 1009 CA GLU A 128 3.633 -14.495 -11.379 1.00 0.00 C ATOM 1010 C GLU A 128 3.927 -14.525 -9.881 1.00 0.00 C ATOM 1011 O GLU A 128 4.516 -15.479 -9.373 1.00 0.00 O ATOM 1012 CB GLU A 128 4.482 -15.546 -12.097 1.00 0.00 C ATOM 1013 CG GLU A 128 5.974 -15.391 -11.858 1.00 0.00 C ATOM 1014 CD GLU A 128 6.752 -16.650 -12.189 1.00 0.00 C ATOM 1015 OE1 GLU A 128 6.730 -17.070 -13.365 1.00 0.00 O ATOM 1016 OE2 GLU A 128 7.383 -17.216 -11.271 1.00 0.00 O ATOM 0 H GLU A 128 3.144 -12.807 -12.524 1.00 0.00 H new ATOM 0 HA GLU A 128 2.578 -14.725 -11.530 1.00 0.00 H new ATOM 0 HB2 GLU A 128 4.171 -16.538 -11.769 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.286 -15.489 -13.168 1.00 0.00 H new ATOM 0 HG2 GLU A 128 6.351 -14.566 -12.462 1.00 0.00 H new ATOM 0 HG3 GLU A 128 6.145 -15.126 -10.815 1.00 0.00 H new ATOM 1023 N ARG A 129 3.514 -13.473 -9.182 1.00 0.00 N ATOM 1024 CA ARG A 129 3.734 -13.378 -7.744 1.00 0.00 C ATOM 1025 C ARG A 129 2.461 -12.936 -7.027 1.00 0.00 C ATOM 1026 O ARG A 129 1.641 -12.210 -7.589 1.00 0.00 O ATOM 1027 CB ARG A 129 4.868 -12.396 -7.444 1.00 0.00 C ATOM 1028 CG ARG A 129 4.392 -10.975 -7.190 1.00 0.00 C ATOM 1029 CD ARG A 129 4.097 -10.742 -5.716 1.00 0.00 C ATOM 1030 NE ARG A 129 5.309 -10.456 -4.954 1.00 0.00 N ATOM 1031 CZ ARG A 129 5.995 -11.380 -4.290 1.00 0.00 C ATOM 1032 NH1 ARG A 129 5.589 -12.643 -4.296 1.00 0.00 N ATOM 1033 NH2 ARG A 129 7.089 -11.043 -3.620 1.00 0.00 N ATOM 0 H ARG A 129 3.025 -12.675 -9.588 1.00 0.00 H new ATOM 0 HA ARG A 129 4.012 -14.366 -7.378 1.00 0.00 H new ATOM 0 HB2 ARG A 129 5.420 -12.747 -6.572 1.00 0.00 H new ATOM 0 HB3 ARG A 129 5.565 -12.392 -8.282 1.00 0.00 H new ATOM 0 HG2 ARG A 129 5.152 -10.270 -7.526 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.495 -10.780 -7.777 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.399 -9.911 -5.613 1.00 0.00 H new ATOM 0 HD3 ARG A 129 3.607 -11.623 -5.301 1.00 0.00 H new ATOM 0 HE ARG A 129 5.648 -9.494 -4.930 1.00 0.00 H new ATOM 0 HH11 ARG A 129 4.749 -12.906 -4.811 1.00 0.00 H new ATOM 0 HH12 ARG A 129 6.117 -13.351 -3.786 1.00 0.00 H new ATOM 0 HH21 ARG A 129 7.405 -10.073 -3.614 1.00 0.00 H new ATOM 0 HH22 ARG A 129 7.614 -11.754 -3.111 1.00 0.00 H new ATOM 1047 N GLU A 130 2.304 -13.379 -5.784 1.00 0.00 N ATOM 1048 CA GLU A 130 1.131 -13.030 -4.992 1.00 0.00 C ATOM 1049 C GLU A 130 1.327 -11.688 -4.291 1.00 0.00 C ATOM 1050 O GLU A 130 2.303 -11.489 -3.567 1.00 0.00 O ATOM 1051 CB GLU A 130 0.843 -14.120 -3.958 1.00 0.00 C ATOM 1052 CG GLU A 130 -0.464 -13.919 -3.208 1.00 0.00 C ATOM 1053 CD GLU A 130 -0.785 -15.070 -2.276 1.00 0.00 C ATOM 1054 OE1 GLU A 130 -1.195 -16.140 -2.772 1.00 0.00 O ATOM 1055 OE2 GLU A 130 -0.625 -14.901 -1.048 1.00 0.00 O ATOM 0 H GLU A 130 2.974 -13.980 -5.304 1.00 0.00 H new ATOM 0 HA GLU A 130 0.280 -12.947 -5.668 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.819 -15.087 -4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 130 1.662 -14.153 -3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -0.410 -12.995 -2.633 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -1.276 -13.800 -3.926 1.00 0.00 H new ATOM 1062 N LEU A 131 0.392 -10.770 -4.512 1.00 0.00 N ATOM 1063 CA LEU A 131 0.461 -9.446 -3.903 1.00 0.00 C ATOM 1064 C LEU A 131 -0.568 -9.307 -2.786 1.00 0.00 C ATOM 1065 O LEU A 131 -1.735 -9.660 -2.956 1.00 0.00 O ATOM 1066 CB LEU A 131 0.233 -8.364 -4.960 1.00 0.00 C ATOM 1067 CG LEU A 131 1.255 -8.310 -6.096 1.00 0.00 C ATOM 1068 CD1 LEU A 131 0.606 -7.807 -7.375 1.00 0.00 C ATOM 1069 CD2 LEU A 131 2.433 -7.427 -5.711 1.00 0.00 C ATOM 0 H LEU A 131 -0.422 -10.918 -5.108 1.00 0.00 H new ATOM 0 HA LEU A 131 1.455 -9.322 -3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.756 -8.511 -5.394 1.00 0.00 H new ATOM 0 HB3 LEU A 131 0.221 -7.394 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 131 1.625 -9.320 -6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.349 -7.775 -8.172 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.204 -8.478 -7.660 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.207 -6.806 -7.211 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.151 -7.400 -6.531 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.079 -6.417 -5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 131 2.915 -7.831 -4.820 1.00 0.00 H new ATOM 1081 N SER A 132 -0.128 -8.787 -1.644 1.00 0.00 N ATOM 1082 CA SER A 132 -1.011 -8.602 -0.499 1.00 0.00 C ATOM 1083 C SER A 132 -1.220 -7.118 -0.208 1.00 0.00 C ATOM 1084 O SER A 132 -0.268 -6.386 0.063 1.00 0.00 O ATOM 1085 CB SER A 132 -0.433 -9.297 0.735 1.00 0.00 C ATOM 1086 OG SER A 132 -0.884 -10.638 0.823 1.00 0.00 O ATOM 0 H SER A 132 0.834 -8.487 -1.488 1.00 0.00 H new ATOM 0 HA SER A 132 -1.976 -9.047 -0.740 1.00 0.00 H new ATOM 0 HB2 SER A 132 0.656 -9.278 0.690 1.00 0.00 H new ATOM 0 HB3 SER A 132 -0.724 -8.752 1.633 1.00 0.00 H new ATOM 0 HG SER A 132 -0.499 -11.061 1.619 1.00 0.00 H new ATOM 1092 N VAL A 133 -2.475 -6.682 -0.268 1.00 0.00 N ATOM 1093 CA VAL A 133 -2.811 -5.287 -0.010 1.00 0.00 C ATOM 1094 C VAL A 133 -3.847 -5.167 1.102 1.00 0.00 C ATOM 1095 O VAL A 133 -4.804 -5.939 1.157 1.00 0.00 O ATOM 1096 CB VAL A 133 -3.352 -4.597 -1.277 1.00 0.00 C ATOM 1097 CG1 VAL A 133 -3.633 -3.127 -1.007 1.00 0.00 C ATOM 1098 CG2 VAL A 133 -2.373 -4.758 -2.430 1.00 0.00 C ATOM 0 H VAL A 133 -3.274 -7.274 -0.493 1.00 0.00 H new ATOM 0 HA VAL A 133 -1.891 -4.792 0.300 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.290 -5.075 -1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.014 -2.657 -1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.374 -3.038 -0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -2.712 -2.631 -0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -2.771 -4.265 -3.317 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -1.418 -4.307 -2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -2.228 -5.818 -2.639 1.00 0.00 H new ATOM 1108 N GLN A 134 -3.649 -4.194 1.985 1.00 0.00 N ATOM 1109 CA GLN A 134 -4.567 -3.974 3.096 1.00 0.00 C ATOM 1110 C GLN A 134 -4.502 -2.528 3.578 1.00 0.00 C ATOM 1111 O GLN A 134 -3.548 -1.807 3.284 1.00 0.00 O ATOM 1112 CB GLN A 134 -4.241 -4.923 4.250 1.00 0.00 C ATOM 1113 CG GLN A 134 -2.953 -4.576 4.979 1.00 0.00 C ATOM 1114 CD GLN A 134 -2.445 -5.714 5.842 1.00 0.00 C ATOM 1115 OE1 GLN A 134 -2.634 -5.718 7.059 1.00 0.00 O ATOM 1116 NE2 GLN A 134 -1.796 -6.689 5.216 1.00 0.00 N ATOM 0 H GLN A 134 -2.862 -3.546 1.953 1.00 0.00 H new ATOM 0 HA GLN A 134 -5.579 -4.175 2.744 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -5.066 -4.912 4.962 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -4.167 -5.939 3.863 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -2.188 -4.309 4.250 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -3.119 -3.698 5.603 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -1.662 -6.646 4.206 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -1.432 -7.481 5.745 1.00 0.00 H new ATOM 1125 N LEU A 135 -5.523 -2.110 4.318 1.00 0.00 N ATOM 1126 CA LEU A 135 -5.582 -0.749 4.841 1.00 0.00 C ATOM 1127 C LEU A 135 -4.413 -0.476 5.782 1.00 0.00 C ATOM 1128 O LEU A 135 -3.976 -1.362 6.516 1.00 0.00 O ATOM 1129 CB LEU A 135 -6.905 -0.520 5.573 1.00 0.00 C ATOM 1130 CG LEU A 135 -8.135 -0.313 4.687 1.00 0.00 C ATOM 1131 CD1 LEU A 135 -9.409 -0.586 5.471 1.00 0.00 C ATOM 1132 CD2 LEU A 135 -8.149 1.098 4.117 1.00 0.00 C ATOM 0 H LEU A 135 -6.321 -2.693 4.569 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.515 -0.060 3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -7.090 -1.375 6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.795 0.353 6.217 1.00 0.00 H new ATOM 0 HG LEU A 135 -8.085 -1.018 3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -10.274 -0.434 4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -9.401 -1.615 5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -9.467 0.095 6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -9.031 1.228 3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -8.175 1.820 4.933 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -7.251 1.258 3.520 1.00 0.00 H new ATOM 1144 N GLN A 136 -3.914 0.756 5.756 1.00 0.00 N ATOM 1145 CA GLN A 136 -2.797 1.145 6.609 1.00 0.00 C ATOM 1146 C GLN A 136 -3.260 1.366 8.045 1.00 0.00 C ATOM 1147 O GLN A 136 -4.325 1.929 8.300 1.00 0.00 O ATOM 1148 CB GLN A 136 -2.137 2.416 6.071 1.00 0.00 C ATOM 1149 CG GLN A 136 -1.537 3.295 7.156 1.00 0.00 C ATOM 1150 CD GLN A 136 -0.339 4.086 6.670 1.00 0.00 C ATOM 1151 OE1 GLN A 136 -0.279 5.306 6.830 1.00 0.00 O ATOM 1152 NE2 GLN A 136 0.624 3.395 6.071 1.00 0.00 N ATOM 0 H GLN A 136 -4.265 1.501 5.154 1.00 0.00 H new ATOM 0 HA GLN A 136 -2.068 0.335 6.603 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.354 2.138 5.365 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.877 2.992 5.515 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -2.298 3.984 7.522 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -1.238 2.672 7.999 1.00 0.00 H new ATOM 0 HE21 GLN A 136 0.533 2.385 5.959 1.00 0.00 H new ATOM 0 HE22 GLN A 136 1.454 3.874 5.722 1.00 0.00 H new