USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 481 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 102 HIS : no HE2:sc= -0.765 K(o=-5.4,f=-7.8!) USER MOD Set 1.2: A 105 ASN : amide:sc= -4.6! C(o=-5.4!,f=-7.6!) USER MOD Single : A 84 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.081) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0373 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 1.13 K(o=1.1,f=-5.6!) USER MOD Single : A 95 HIS : no HD1:sc= -0.0597 X(o=-0.06,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 1.06 K(o=1.1,f=-5.4!) USER MOD Single : A 108 LYS NZ :NH3+ -176:sc= 1.15 (180deg=1.03) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -119:sc= 0.0635 (180deg=-0.00747) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -35:sc= 0.298 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 152:sc= -1.44 (180deg=-3.21!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot -54:sc= 1.22 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 71:sc= 1.15 USER MOD Single : A 138 ASN : amide:sc= -0.412 K(o=-0.41,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 61 N ASP A 80 6.930 4.249 -3.359 1.00 0.00 N ATOM 62 CA ASP A 80 6.891 2.850 -3.773 1.00 0.00 C ATOM 63 C ASP A 80 7.507 1.967 -2.692 1.00 0.00 C ATOM 64 O ASP A 80 8.730 1.845 -2.596 1.00 0.00 O ATOM 65 CB ASP A 80 7.653 2.669 -5.095 1.00 0.00 C ATOM 66 CG ASP A 80 7.606 1.247 -5.631 1.00 0.00 C ATOM 67 OD1 ASP A 80 6.595 0.878 -6.262 1.00 0.00 O ATOM 68 OD2 ASP A 80 8.605 0.506 -5.465 1.00 0.00 O ATOM 0 HA ASP A 80 5.852 2.556 -3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.235 3.344 -5.842 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.693 2.960 -4.949 1.00 0.00 H new ATOM 73 N LEU A 81 6.664 1.390 -1.864 1.00 0.00 N ATOM 74 CA LEU A 81 7.137 0.522 -0.797 1.00 0.00 C ATOM 75 C LEU A 81 7.161 -0.916 -1.270 1.00 0.00 C ATOM 76 O LEU A 81 6.330 -1.325 -2.067 1.00 0.00 O ATOM 77 CB LEU A 81 6.263 0.639 0.459 1.00 0.00 C ATOM 78 CG LEU A 81 6.774 -0.143 1.680 1.00 0.00 C ATOM 79 CD1 LEU A 81 8.075 0.450 2.193 1.00 0.00 C ATOM 80 CD2 LEU A 81 5.729 -0.191 2.787 1.00 0.00 C ATOM 0 H LEU A 81 5.651 1.503 -1.905 1.00 0.00 H new ATOM 0 HA LEU A 81 8.146 0.840 -0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.180 1.692 0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.258 0.292 0.218 1.00 0.00 H new ATOM 0 HG LEU A 81 6.965 -1.167 1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.418 -0.119 3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.829 0.407 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.912 1.488 2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.123 -0.751 3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.487 0.824 3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.828 -0.680 2.416 1.00 0.00 H new ATOM 92 N ILE A 82 8.119 -1.676 -0.795 1.00 0.00 N ATOM 93 CA ILE A 82 8.205 -3.067 -1.160 1.00 0.00 C ATOM 94 C ILE A 82 7.739 -3.923 0.008 1.00 0.00 C ATOM 95 O ILE A 82 7.980 -3.580 1.168 1.00 0.00 O ATOM 96 CB ILE A 82 9.640 -3.476 -1.550 1.00 0.00 C ATOM 97 CG1 ILE A 82 10.315 -2.371 -2.362 1.00 0.00 C ATOM 98 CG2 ILE A 82 9.602 -4.754 -2.362 1.00 0.00 C ATOM 99 CD1 ILE A 82 11.691 -2.746 -2.857 1.00 0.00 C ATOM 0 H ILE A 82 8.847 -1.355 -0.157 1.00 0.00 H new ATOM 0 HA ILE A 82 7.566 -3.223 -2.029 1.00 0.00 H new ATOM 0 HB ILE A 82 10.215 -3.638 -0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.685 -2.122 -3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.390 -1.473 -1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 82 10.617 -5.041 -2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.148 -5.548 -1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.014 -4.594 -3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 82 12.112 -1.917 -3.425 1.00 0.00 H new ATOM 0 HD12 ILE A 82 12.336 -2.967 -2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.620 -3.625 -3.497 1.00 0.00 H new ATOM 111 N VAL A 83 7.082 -5.031 -0.290 1.00 0.00 N ATOM 112 CA VAL A 83 6.546 -5.911 0.732 1.00 0.00 C ATOM 113 C VAL A 83 6.704 -7.372 0.325 1.00 0.00 C ATOM 114 O VAL A 83 6.378 -7.757 -0.798 1.00 0.00 O ATOM 115 CB VAL A 83 5.045 -5.621 1.024 1.00 0.00 C ATOM 116 CG1 VAL A 83 4.880 -4.294 1.745 1.00 0.00 C ATOM 117 CG2 VAL A 83 4.227 -5.628 -0.263 1.00 0.00 C ATOM 0 H VAL A 83 6.906 -5.344 -1.245 1.00 0.00 H new ATOM 0 HA VAL A 83 7.116 -5.719 1.641 1.00 0.00 H new ATOM 0 HB VAL A 83 4.673 -6.415 1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.822 -4.114 1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.421 -4.324 2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.278 -3.491 1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.182 -5.423 -0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.606 -4.862 -0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.308 -6.605 -0.740 1.00 0.00 H new ATOM 127 N HIS A 84 7.229 -8.169 1.224 1.00 0.00 N ATOM 128 CA HIS A 84 7.387 -9.594 0.963 1.00 0.00 C ATOM 129 C HIS A 84 6.056 -10.317 1.152 1.00 0.00 C ATOM 130 O HIS A 84 5.430 -10.223 2.212 1.00 0.00 O ATOM 131 CB HIS A 84 8.489 -10.219 1.855 1.00 0.00 C ATOM 132 CG HIS A 84 8.173 -10.247 3.326 1.00 0.00 C ATOM 133 ND1 HIS A 84 7.889 -11.409 4.017 1.00 0.00 N ATOM 134 CD2 HIS A 84 8.104 -9.250 4.236 1.00 0.00 C ATOM 135 CE1 HIS A 84 7.659 -11.121 5.282 1.00 0.00 C ATOM 136 NE2 HIS A 84 7.783 -9.819 5.442 1.00 0.00 N ATOM 0 H HIS A 84 7.555 -7.865 2.141 1.00 0.00 H new ATOM 0 HA HIS A 84 7.704 -9.713 -0.073 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.673 -11.239 1.518 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.415 -9.662 1.708 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.271 -8.200 4.048 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.411 -11.832 6.056 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.660 -9.316 6.321 1.00 0.00 H new ATOM 145 N GLU A 85 5.614 -11.000 0.114 1.00 0.00 N ATOM 146 CA GLU A 85 4.377 -11.749 0.162 1.00 0.00 C ATOM 147 C GLU A 85 4.568 -13.104 -0.500 1.00 0.00 C ATOM 148 O GLU A 85 4.808 -13.187 -1.709 1.00 0.00 O ATOM 149 CB GLU A 85 3.252 -10.987 -0.539 1.00 0.00 C ATOM 150 CG GLU A 85 1.886 -11.494 -0.191 1.00 0.00 C ATOM 151 CD GLU A 85 1.557 -11.279 1.267 1.00 0.00 C ATOM 152 OE1 GLU A 85 1.103 -10.172 1.608 1.00 0.00 O ATOM 153 OE2 GLU A 85 1.734 -12.211 2.070 1.00 0.00 O ATOM 0 H GLU A 85 6.100 -11.050 -0.781 1.00 0.00 H new ATOM 0 HA GLU A 85 4.101 -11.890 1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.318 -9.931 -0.275 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.393 -11.055 -1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.144 -10.988 -0.808 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.824 -12.557 -0.424 1.00 0.00 H new ATOM 160 N GLY A 86 4.478 -14.157 0.288 1.00 0.00 N ATOM 161 CA GLY A 86 4.652 -15.494 -0.238 1.00 0.00 C ATOM 162 C GLY A 86 6.078 -15.749 -0.683 1.00 0.00 C ATOM 163 O GLY A 86 6.331 -16.607 -1.531 1.00 0.00 O ATOM 0 H GLY A 86 4.287 -14.113 1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.375 -16.222 0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.977 -15.642 -1.081 1.00 0.00 H new ATOM 167 N GLY A 87 7.008 -15.001 -0.111 1.00 0.00 N ATOM 168 CA GLY A 87 8.406 -15.153 -0.459 1.00 0.00 C ATOM 169 C GLY A 87 8.830 -14.237 -1.591 1.00 0.00 C ATOM 170 O GLY A 87 10.015 -14.104 -1.875 1.00 0.00 O ATOM 0 H GLY A 87 6.819 -14.287 0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.019 -14.947 0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.595 -16.188 -0.744 1.00 0.00 H new ATOM 174 N LYS A 88 7.863 -13.606 -2.237 1.00 0.00 N ATOM 175 CA LYS A 88 8.149 -12.705 -3.345 1.00 0.00 C ATOM 176 C LYS A 88 8.044 -11.259 -2.891 1.00 0.00 C ATOM 177 O LYS A 88 7.156 -10.908 -2.124 1.00 0.00 O ATOM 178 CB LYS A 88 7.181 -12.954 -4.507 1.00 0.00 C ATOM 179 CG LYS A 88 7.220 -14.371 -5.063 1.00 0.00 C ATOM 180 CD LYS A 88 8.577 -14.699 -5.659 1.00 0.00 C ATOM 181 CE LYS A 88 8.609 -16.114 -6.211 1.00 0.00 C ATOM 182 NZ LYS A 88 9.931 -16.454 -6.793 1.00 0.00 N ATOM 0 H LYS A 88 6.872 -13.700 -2.014 1.00 0.00 H new ATOM 0 HA LYS A 88 9.166 -12.899 -3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.167 -12.735 -4.173 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.409 -12.254 -5.311 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.989 -15.081 -4.269 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.450 -14.485 -5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.808 -13.991 -6.454 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.348 -14.586 -4.897 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.371 -16.819 -5.415 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.838 -16.223 -6.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.910 -17.428 -7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.147 -15.798 -7.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.664 -16.375 -6.059 1.00 0.00 H new ATOM 196 N THR A 89 8.950 -10.432 -3.353 1.00 0.00 N ATOM 197 CA THR A 89 8.947 -9.028 -2.995 1.00 0.00 C ATOM 198 C THR A 89 8.059 -8.231 -3.956 1.00 0.00 C ATOM 199 O THR A 89 8.425 -8.002 -5.113 1.00 0.00 O ATOM 200 CB THR A 89 10.377 -8.464 -3.042 1.00 0.00 C ATOM 201 OG1 THR A 89 11.306 -9.528 -3.328 1.00 0.00 O ATOM 202 CG2 THR A 89 10.744 -7.820 -1.715 1.00 0.00 C ATOM 0 H THR A 89 9.705 -10.706 -3.982 1.00 0.00 H new ATOM 0 HA THR A 89 8.553 -8.936 -1.983 1.00 0.00 H new ATOM 0 HB THR A 89 10.426 -7.707 -3.825 1.00 0.00 H new ATOM 0 HG1 THR A 89 12.217 -9.167 -3.359 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.759 -7.427 -1.770 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.051 -7.006 -1.502 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.685 -8.564 -0.921 1.00 0.00 H new ATOM 210 N TYR A 90 6.898 -7.815 -3.474 1.00 0.00 N ATOM 211 CA TYR A 90 5.956 -7.045 -4.273 1.00 0.00 C ATOM 212 C TYR A 90 6.124 -5.564 -4.012 1.00 0.00 C ATOM 213 O TYR A 90 6.551 -5.164 -2.938 1.00 0.00 O ATOM 214 CB TYR A 90 4.512 -7.453 -3.954 1.00 0.00 C ATOM 215 CG TYR A 90 4.127 -8.828 -4.443 1.00 0.00 C ATOM 216 CD1 TYR A 90 4.452 -9.962 -3.715 1.00 0.00 C ATOM 217 CD2 TYR A 90 3.434 -8.991 -5.631 1.00 0.00 C ATOM 218 CE1 TYR A 90 4.097 -11.219 -4.157 1.00 0.00 C ATOM 219 CE2 TYR A 90 3.075 -10.245 -6.081 1.00 0.00 C ATOM 220 CZ TYR A 90 3.409 -11.355 -5.339 1.00 0.00 C ATOM 221 OH TYR A 90 3.058 -12.609 -5.789 1.00 0.00 O ATOM 0 H TYR A 90 6.583 -8.000 -2.522 1.00 0.00 H new ATOM 0 HA TYR A 90 6.163 -7.253 -5.323 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.366 -7.411 -2.875 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.835 -6.722 -4.396 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.993 -9.859 -2.786 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.170 -8.122 -6.215 1.00 0.00 H new ATOM 0 HE1 TYR A 90 4.358 -12.092 -3.577 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.535 -10.355 -7.010 1.00 0.00 H new ATOM 0 HH TYR A 90 2.576 -12.529 -6.638 1.00 0.00 H new ATOM 231 N HIS A 91 5.799 -4.763 -4.994 1.00 0.00 N ATOM 232 CA HIS A 91 5.888 -3.319 -4.868 1.00 0.00 C ATOM 233 C HIS A 91 4.513 -2.698 -4.752 1.00 0.00 C ATOM 234 O HIS A 91 3.575 -3.100 -5.442 1.00 0.00 O ATOM 235 CB HIS A 91 6.621 -2.715 -6.064 1.00 0.00 C ATOM 236 CG HIS A 91 8.075 -3.022 -6.100 1.00 0.00 C ATOM 237 ND1 HIS A 91 9.044 -2.070 -5.908 1.00 0.00 N ATOM 238 CD2 HIS A 91 8.730 -4.185 -6.318 1.00 0.00 C ATOM 239 CE1 HIS A 91 10.230 -2.630 -6.005 1.00 0.00 C ATOM 240 NE2 HIS A 91 10.067 -3.913 -6.253 1.00 0.00 N ATOM 0 H HIS A 91 5.466 -5.085 -5.903 1.00 0.00 H new ATOM 0 HA HIS A 91 6.450 -3.103 -3.959 1.00 0.00 H new ATOM 0 HB2 HIS A 91 6.160 -3.080 -6.982 1.00 0.00 H new ATOM 0 HB3 HIS A 91 6.489 -1.633 -6.050 1.00 0.00 H new ATOM 0 HD1 HIS A 91 8.872 -1.082 -5.720 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.280 -5.148 -6.508 1.00 0.00 H new ATOM 0 HE1 HIS A 91 11.178 -2.123 -5.899 1.00 0.00 H new ATOM 249 N VAL A 92 4.396 -1.725 -3.878 1.00 0.00 N ATOM 250 CA VAL A 92 3.166 -1.000 -3.692 1.00 0.00 C ATOM 251 C VAL A 92 3.408 0.461 -4.008 1.00 0.00 C ATOM 252 O VAL A 92 4.218 1.124 -3.358 1.00 0.00 O ATOM 253 CB VAL A 92 2.637 -1.119 -2.245 1.00 0.00 C ATOM 254 CG1 VAL A 92 1.314 -0.382 -2.089 1.00 0.00 C ATOM 255 CG2 VAL A 92 2.492 -2.579 -1.837 1.00 0.00 C ATOM 0 H VAL A 92 5.157 -1.415 -3.274 1.00 0.00 H new ATOM 0 HA VAL A 92 2.418 -1.428 -4.359 1.00 0.00 H new ATOM 0 HB VAL A 92 3.366 -0.653 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.962 -0.480 -1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.455 0.673 -2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.577 -0.810 -2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.118 -2.636 -0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.791 -3.076 -2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.463 -3.071 -1.896 1.00 0.00 H new ATOM 265 N VAL A 93 2.717 0.950 -5.000 1.00 0.00 N ATOM 266 CA VAL A 93 2.866 2.322 -5.428 1.00 0.00 C ATOM 267 C VAL A 93 1.516 3.016 -5.432 1.00 0.00 C ATOM 268 O VAL A 93 0.506 2.428 -5.827 1.00 0.00 O ATOM 269 CB VAL A 93 3.525 2.412 -6.836 1.00 0.00 C ATOM 270 CG1 VAL A 93 2.696 1.681 -7.881 1.00 0.00 C ATOM 271 CG2 VAL A 93 3.747 3.862 -7.243 1.00 0.00 C ATOM 0 H VAL A 93 2.035 0.414 -5.537 1.00 0.00 H new ATOM 0 HA VAL A 93 3.525 2.825 -4.721 1.00 0.00 H new ATOM 0 HB VAL A 93 4.497 1.922 -6.777 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.182 1.762 -8.853 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.608 0.630 -7.606 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.703 2.126 -7.934 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.208 3.896 -8.230 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.790 4.383 -7.272 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.402 4.347 -6.519 1.00 0.00 H new ATOM 281 N CYS A 94 1.491 4.248 -4.978 1.00 0.00 N ATOM 282 CA CYS A 94 0.261 5.000 -4.922 1.00 0.00 C ATOM 283 C CYS A 94 0.369 6.283 -5.725 1.00 0.00 C ATOM 284 O CYS A 94 1.166 7.171 -5.408 1.00 0.00 O ATOM 285 CB CYS A 94 -0.113 5.305 -3.475 1.00 0.00 C ATOM 286 SG CYS A 94 -0.366 3.823 -2.447 1.00 0.00 S ATOM 0 H CYS A 94 2.312 4.751 -4.641 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.527 4.391 -5.364 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.672 5.915 -3.028 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.025 5.902 -3.464 1.00 0.00 H new ATOM 291 N HIS A 95 -0.420 6.370 -6.779 1.00 0.00 N ATOM 292 CA HIS A 95 -0.450 7.553 -7.618 1.00 0.00 C ATOM 293 C HIS A 95 -1.542 8.496 -7.131 1.00 0.00 C ATOM 294 O HIS A 95 -1.528 9.684 -7.426 1.00 0.00 O ATOM 295 CB HIS A 95 -0.695 7.159 -9.085 1.00 0.00 C ATOM 296 CG HIS A 95 -0.628 8.306 -10.058 1.00 0.00 C ATOM 297 ND1 HIS A 95 0.523 8.662 -10.723 1.00 0.00 N ATOM 298 CD2 HIS A 95 -1.583 9.170 -10.482 1.00 0.00 C ATOM 299 CE1 HIS A 95 0.271 9.691 -11.510 1.00 0.00 C ATOM 300 NE2 HIS A 95 -0.996 10.017 -11.382 1.00 0.00 N ATOM 0 H HIS A 95 -1.054 5.628 -7.076 1.00 0.00 H new ATOM 0 HA HIS A 95 0.512 8.062 -7.556 1.00 0.00 H new ATOM 0 HB2 HIS A 95 0.042 6.410 -9.375 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.675 6.689 -9.163 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -2.616 9.187 -10.167 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.986 10.183 -12.152 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -1.465 10.778 -11.874 1.00 0.00 H new ATOM 309 N GLU A 96 -2.457 7.950 -6.351 1.00 0.00 N ATOM 310 CA GLU A 96 -3.589 8.695 -5.825 1.00 0.00 C ATOM 311 C GLU A 96 -3.879 8.255 -4.410 1.00 0.00 C ATOM 312 O GLU A 96 -3.452 7.176 -3.991 1.00 0.00 O ATOM 313 CB GLU A 96 -4.839 8.480 -6.690 1.00 0.00 C ATOM 314 CG GLU A 96 -4.798 9.167 -8.043 1.00 0.00 C ATOM 315 CD GLU A 96 -4.710 10.671 -7.924 1.00 0.00 C ATOM 316 OE1 GLU A 96 -5.532 11.263 -7.198 1.00 0.00 O ATOM 317 OE2 GLU A 96 -3.822 11.274 -8.561 1.00 0.00 O ATOM 0 H GLU A 96 -2.437 6.972 -6.062 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.334 9.755 -5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.978 7.410 -6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.710 8.838 -6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -3.941 8.799 -8.608 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.691 8.902 -8.609 1.00 0.00 H new ATOM 324 N GLU A 97 -4.578 9.089 -3.670 1.00 0.00 N ATOM 325 CA GLU A 97 -4.956 8.756 -2.319 1.00 0.00 C ATOM 326 C GLU A 97 -6.159 7.837 -2.315 1.00 0.00 C ATOM 327 O GLU A 97 -7.015 7.907 -3.201 1.00 0.00 O ATOM 328 CB GLU A 97 -5.261 10.005 -1.506 1.00 0.00 C ATOM 329 CG GLU A 97 -4.061 10.897 -1.269 1.00 0.00 C ATOM 330 CD GLU A 97 -4.349 11.981 -0.261 1.00 0.00 C ATOM 331 OE1 GLU A 97 -4.172 11.728 0.948 1.00 0.00 O ATOM 332 OE2 GLU A 97 -4.762 13.088 -0.665 1.00 0.00 O ATOM 0 H GLU A 97 -4.896 10.005 -3.986 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.112 8.243 -1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.032 10.580 -2.019 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -5.674 9.706 -0.543 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.224 10.292 -0.921 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.756 11.351 -2.212 1.00 0.00 H new ATOM 339 N GLY A 98 -6.220 6.982 -1.329 1.00 0.00 N ATOM 340 CA GLY A 98 -7.309 6.055 -1.228 1.00 0.00 C ATOM 341 C GLY A 98 -6.811 4.649 -1.067 1.00 0.00 C ATOM 342 O GLY A 98 -5.631 4.383 -1.280 1.00 0.00 O ATOM 0 H GLY A 98 -5.526 6.910 -0.585 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.938 6.320 -0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.932 6.123 -2.120 1.00 0.00 H new ATOM 346 N PRO A 99 -7.670 3.728 -0.658 1.00 0.00 N ATOM 347 CA PRO A 99 -7.301 2.346 -0.484 1.00 0.00 C ATOM 348 C PRO A 99 -7.470 1.520 -1.764 1.00 0.00 C ATOM 349 O PRO A 99 -8.414 1.722 -2.541 1.00 0.00 O ATOM 350 CB PRO A 99 -8.272 1.881 0.587 1.00 0.00 C ATOM 351 CG PRO A 99 -9.513 2.672 0.336 1.00 0.00 C ATOM 352 CD PRO A 99 -9.077 3.971 -0.299 1.00 0.00 C ATOM 0 HA PRO A 99 -6.250 2.227 -0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -8.462 0.810 0.512 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -7.879 2.066 1.587 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.192 2.129 -0.321 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.049 2.857 1.267 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.679 4.210 -1.176 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -9.175 4.808 0.393 1.00 0.00 H new ATOM 360 N ILE A 100 -6.545 0.608 -1.974 1.00 0.00 N ATOM 361 CA ILE A 100 -6.565 -0.304 -3.112 1.00 0.00 C ATOM 362 C ILE A 100 -6.090 -1.682 -2.659 1.00 0.00 C ATOM 363 O ILE A 100 -5.401 -1.781 -1.652 1.00 0.00 O ATOM 364 CB ILE A 100 -5.698 0.212 -4.310 1.00 0.00 C ATOM 365 CG1 ILE A 100 -4.437 0.967 -3.827 1.00 0.00 C ATOM 366 CG2 ILE A 100 -6.531 1.093 -5.239 1.00 0.00 C ATOM 367 CD1 ILE A 100 -3.381 0.089 -3.188 1.00 0.00 C ATOM 0 H ILE A 100 -5.746 0.472 -1.355 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.590 -0.365 -3.476 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.361 -0.662 -4.867 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.993 1.486 -4.676 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.739 1.730 -3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.910 1.441 -6.064 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.368 0.517 -5.633 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.910 1.951 -4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.535 0.703 -2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.802 -0.411 -2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.045 -0.658 -3.907 1.00 0.00 H new ATOM 379 N PRO A 101 -6.462 -2.765 -3.367 1.00 0.00 N ATOM 380 CA PRO A 101 -6.087 -4.131 -2.970 1.00 0.00 C ATOM 381 C PRO A 101 -4.573 -4.360 -2.980 1.00 0.00 C ATOM 382 O PRO A 101 -3.811 -3.572 -3.542 1.00 0.00 O ATOM 383 CB PRO A 101 -6.765 -5.014 -4.027 1.00 0.00 C ATOM 384 CG PRO A 101 -6.971 -4.109 -5.189 1.00 0.00 C ATOM 385 CD PRO A 101 -7.262 -2.761 -4.600 1.00 0.00 C ATOM 0 HA PRO A 101 -6.397 -4.347 -1.947 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.140 -5.866 -4.293 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.711 -5.414 -3.663 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.085 -4.077 -5.824 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.797 -4.452 -5.812 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -6.967 -1.954 -5.271 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.324 -2.631 -4.393 1.00 0.00 H new ATOM 393 N HIS A 102 -4.155 -5.444 -2.364 1.00 0.00 N ATOM 394 CA HIS A 102 -2.754 -5.791 -2.273 1.00 0.00 C ATOM 395 C HIS A 102 -2.349 -6.591 -3.507 1.00 0.00 C ATOM 396 O HIS A 102 -2.909 -7.650 -3.764 1.00 0.00 O ATOM 397 CB HIS A 102 -2.516 -6.613 -0.993 1.00 0.00 C ATOM 398 CG HIS A 102 -1.082 -6.845 -0.648 1.00 0.00 C ATOM 399 ND1 HIS A 102 -0.454 -8.058 -0.807 1.00 0.00 N ATOM 400 CD2 HIS A 102 -0.155 -6.012 -0.129 1.00 0.00 C ATOM 401 CE1 HIS A 102 0.800 -7.958 -0.406 1.00 0.00 C ATOM 402 NE2 HIS A 102 1.008 -6.727 0.011 1.00 0.00 N ATOM 0 H HIS A 102 -4.779 -6.111 -1.911 1.00 0.00 H new ATOM 0 HA HIS A 102 -2.148 -4.886 -2.228 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.997 -6.104 -0.158 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.008 -7.579 -1.103 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -0.889 -8.903 -1.177 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -0.302 -4.974 0.129 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.532 -8.752 -0.418 1.00 0.00 H new ATOM 411 N PRO A 103 -1.352 -6.106 -4.274 1.00 0.00 N ATOM 412 CA PRO A 103 -0.920 -6.752 -5.533 1.00 0.00 C ATOM 413 C PRO A 103 -0.510 -8.214 -5.343 1.00 0.00 C ATOM 414 O PRO A 103 -0.582 -9.016 -6.271 1.00 0.00 O ATOM 415 CB PRO A 103 0.289 -5.910 -5.983 1.00 0.00 C ATOM 416 CG PRO A 103 0.691 -5.124 -4.777 1.00 0.00 C ATOM 417 CD PRO A 103 -0.563 -4.898 -3.989 1.00 0.00 C ATOM 0 HA PRO A 103 -1.731 -6.782 -6.261 1.00 0.00 H new ATOM 0 HB2 PRO A 103 1.104 -6.545 -6.328 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.024 -5.253 -6.811 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.429 -5.667 -4.187 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.147 -4.176 -5.064 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -0.357 -4.792 -2.924 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -1.081 -3.993 -4.305 1.00 0.00 H new ATOM 425 N GLY A 104 -0.092 -8.551 -4.135 1.00 0.00 N ATOM 426 CA GLY A 104 0.324 -9.907 -3.854 1.00 0.00 C ATOM 427 C GLY A 104 -0.825 -10.813 -3.444 1.00 0.00 C ATOM 428 O GLY A 104 -0.707 -12.028 -3.527 1.00 0.00 O ATOM 0 H GLY A 104 -0.033 -7.910 -3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.808 -10.322 -4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.070 -9.894 -3.059 1.00 0.00 H new ATOM 432 N ASN A 105 -1.939 -10.223 -2.993 1.00 0.00 N ATOM 433 CA ASN A 105 -3.112 -11.001 -2.563 1.00 0.00 C ATOM 434 C ASN A 105 -4.325 -10.092 -2.359 1.00 0.00 C ATOM 435 O ASN A 105 -4.284 -9.170 -1.544 1.00 0.00 O ATOM 436 CB ASN A 105 -2.848 -11.847 -1.304 1.00 0.00 C ATOM 437 CG ASN A 105 -2.433 -11.045 -0.104 1.00 0.00 C ATOM 438 OD1 ASN A 105 -3.258 -10.535 0.636 1.00 0.00 O ATOM 439 ND2 ASN A 105 -1.156 -10.965 0.106 1.00 0.00 N ATOM 0 H ASN A 105 -2.055 -9.213 -2.916 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.327 -11.703 -3.369 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.751 -12.407 -1.059 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -2.070 -12.578 -1.526 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -0.803 -10.459 0.918 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -0.504 -11.408 -0.541 1.00 0.00 H new ATOM 446 N VAL A 106 -5.375 -10.314 -3.137 1.00 0.00 N ATOM 447 CA VAL A 106 -6.634 -9.549 -3.004 1.00 0.00 C ATOM 448 C VAL A 106 -7.254 -9.610 -1.587 1.00 0.00 C ATOM 449 O VAL A 106 -8.177 -8.857 -1.279 1.00 0.00 O ATOM 450 CB VAL A 106 -7.690 -10.002 -4.041 1.00 0.00 C ATOM 451 CG1 VAL A 106 -7.189 -9.760 -5.456 1.00 0.00 C ATOM 452 CG2 VAL A 106 -8.049 -11.468 -3.842 1.00 0.00 C ATOM 0 H VAL A 106 -5.392 -11.019 -3.874 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.352 -8.513 -3.194 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.591 -9.408 -3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.945 -10.085 -6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -6.991 -8.697 -5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.271 -10.324 -5.618 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -8.793 -11.764 -4.582 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.155 -12.081 -3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.456 -11.610 -2.841 1.00 0.00 H new ATOM 462 N HIS A 107 -6.746 -10.501 -0.732 1.00 0.00 N ATOM 463 CA HIS A 107 -7.261 -10.633 0.642 1.00 0.00 C ATOM 464 C HIS A 107 -6.761 -9.512 1.549 1.00 0.00 C ATOM 465 O HIS A 107 -7.113 -9.450 2.727 1.00 0.00 O ATOM 466 CB HIS A 107 -6.890 -11.989 1.242 1.00 0.00 C ATOM 467 CG HIS A 107 -7.687 -13.129 0.695 1.00 0.00 C ATOM 468 ND1 HIS A 107 -7.230 -14.425 0.686 1.00 0.00 N ATOM 469 CD2 HIS A 107 -8.929 -13.165 0.161 1.00 0.00 C ATOM 470 CE1 HIS A 107 -8.156 -15.209 0.169 1.00 0.00 C ATOM 471 NE2 HIS A 107 -9.195 -14.467 -0.156 1.00 0.00 N ATOM 0 H HIS A 107 -5.984 -11.140 -0.960 1.00 0.00 H new ATOM 0 HA HIS A 107 -8.347 -10.559 0.578 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.832 -12.178 1.062 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -7.027 -11.947 2.323 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -9.588 -12.322 0.013 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -8.076 -16.278 0.035 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.059 -14.809 -0.577 1.00 0.00 H new ATOM 480 N LYS A 108 -5.957 -8.627 0.997 1.00 0.00 N ATOM 481 CA LYS A 108 -5.426 -7.504 1.742 1.00 0.00 C ATOM 482 C LYS A 108 -5.443 -6.272 0.882 1.00 0.00 C ATOM 483 O LYS A 108 -5.600 -6.367 -0.334 1.00 0.00 O ATOM 484 CB LYS A 108 -4.005 -7.778 2.233 1.00 0.00 C ATOM 485 CG LYS A 108 -3.918 -8.895 3.254 1.00 0.00 C ATOM 486 CD LYS A 108 -2.605 -8.876 3.996 1.00 0.00 C ATOM 487 CE LYS A 108 -1.439 -9.067 3.058 1.00 0.00 C ATOM 488 NZ LYS A 108 -0.261 -9.629 3.749 1.00 0.00 N ATOM 0 H LYS A 108 -5.654 -8.665 0.024 1.00 0.00 H new ATOM 0 HA LYS A 108 -6.057 -7.350 2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.377 -8.029 1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.599 -6.866 2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.739 -8.802 3.965 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -4.038 -9.855 2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.498 -7.928 4.524 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.600 -9.663 4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.733 -9.730 2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.174 -8.110 2.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.538 -9.681 3.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -0.006 -9.019 4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.485 -10.583 4.097 1.00 0.00 H new ATOM 502 N TYR A 109 -5.307 -5.124 1.500 1.00 0.00 N ATOM 503 CA TYR A 109 -5.299 -3.878 0.771 1.00 0.00 C ATOM 504 C TYR A 109 -4.333 -2.884 1.396 1.00 0.00 C ATOM 505 O TYR A 109 -3.771 -3.139 2.452 1.00 0.00 O ATOM 506 CB TYR A 109 -6.705 -3.295 0.670 1.00 0.00 C ATOM 507 CG TYR A 109 -7.244 -2.660 1.931 1.00 0.00 C ATOM 508 CD1 TYR A 109 -7.631 -3.427 3.022 1.00 0.00 C ATOM 509 CD2 TYR A 109 -7.388 -1.289 2.011 1.00 0.00 C ATOM 510 CE1 TYR A 109 -8.144 -2.837 4.160 1.00 0.00 C ATOM 511 CE2 TYR A 109 -7.895 -0.686 3.141 1.00 0.00 C ATOM 512 CZ TYR A 109 -8.274 -1.466 4.217 1.00 0.00 C ATOM 513 OH TYR A 109 -8.786 -0.873 5.352 1.00 0.00 O ATOM 0 H TYR A 109 -5.200 -5.026 2.510 1.00 0.00 H new ATOM 0 HA TYR A 109 -4.951 -4.084 -0.241 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -6.712 -2.547 -0.123 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.387 -4.089 0.365 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -7.529 -4.501 2.980 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -7.097 -0.677 1.170 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -8.442 -3.446 5.001 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -7.996 0.388 3.186 1.00 0.00 H new ATOM 0 HH TYR A 109 -8.811 0.099 5.231 1.00 0.00 H new ATOM 523 N ILE A 110 -4.139 -1.763 0.739 1.00 0.00 N ATOM 524 CA ILE A 110 -3.272 -0.721 1.247 1.00 0.00 C ATOM 525 C ILE A 110 -3.989 0.615 1.179 1.00 0.00 C ATOM 526 O ILE A 110 -4.725 0.883 0.230 1.00 0.00 O ATOM 527 CB ILE A 110 -1.934 -0.602 0.450 1.00 0.00 C ATOM 528 CG1 ILE A 110 -1.268 -1.965 0.240 1.00 0.00 C ATOM 529 CG2 ILE A 110 -0.975 0.333 1.163 1.00 0.00 C ATOM 530 CD1 ILE A 110 -1.710 -2.673 -1.021 1.00 0.00 C ATOM 0 H ILE A 110 -4.574 -1.547 -0.158 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.028 -0.989 2.275 1.00 0.00 H new ATOM 0 HB ILE A 110 -2.179 -0.195 -0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.187 -1.830 0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.486 -2.601 1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -0.047 0.405 0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -1.426 1.322 1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -0.761 -0.055 2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.195 -3.631 -1.100 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.786 -2.841 -0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.467 -2.058 -1.888 1.00 0.00 H new ATOM 542 N ILE A 111 -3.796 1.437 2.189 1.00 0.00 N ATOM 543 CA ILE A 111 -4.372 2.764 2.203 1.00 0.00 C ATOM 544 C ILE A 111 -3.315 3.754 1.774 1.00 0.00 C ATOM 545 O ILE A 111 -2.249 3.830 2.389 1.00 0.00 O ATOM 546 CB ILE A 111 -4.906 3.182 3.608 1.00 0.00 C ATOM 547 CG1 ILE A 111 -5.966 2.203 4.120 1.00 0.00 C ATOM 548 CG2 ILE A 111 -5.479 4.591 3.562 1.00 0.00 C ATOM 549 CD1 ILE A 111 -5.396 0.959 4.761 1.00 0.00 C ATOM 0 H ILE A 111 -3.242 1.208 3.014 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.222 2.757 1.520 1.00 0.00 H new ATOM 0 HB ILE A 111 -4.064 3.160 4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.599 2.715 4.845 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.607 1.910 3.288 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.847 4.867 4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.701 5.290 3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.300 4.627 2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.210 0.317 5.097 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.787 0.422 4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.779 1.240 5.615 1.00 0.00 H new ATOM 561 N CYS A 112 -3.591 4.506 0.734 1.00 0.00 N ATOM 562 CA CYS A 112 -2.635 5.469 0.233 1.00 0.00 C ATOM 563 C CYS A 112 -2.969 6.852 0.767 1.00 0.00 C ATOM 564 O CYS A 112 -4.089 7.343 0.591 1.00 0.00 O ATOM 565 CB CYS A 112 -2.643 5.474 -1.295 1.00 0.00 C ATOM 566 SG CYS A 112 -2.357 3.839 -2.050 1.00 0.00 S ATOM 0 H CYS A 112 -4.470 4.470 0.217 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.638 5.190 0.573 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -3.603 5.858 -1.641 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -1.877 6.164 -1.649 1.00 0.00 H new ATOM 571 N SER A 113 -2.019 7.472 1.436 1.00 0.00 N ATOM 572 CA SER A 113 -2.233 8.780 2.013 1.00 0.00 C ATOM 573 C SER A 113 -1.111 9.741 1.634 1.00 0.00 C ATOM 574 O SER A 113 0.067 9.388 1.690 1.00 0.00 O ATOM 575 CB SER A 113 -2.335 8.652 3.531 1.00 0.00 C ATOM 576 OG SER A 113 -3.319 7.689 3.882 1.00 0.00 O ATOM 0 H SER A 113 -1.087 7.088 1.593 1.00 0.00 H new ATOM 0 HA SER A 113 -3.163 9.188 1.618 1.00 0.00 H new ATOM 0 HB2 SER A 113 -1.369 8.361 3.943 1.00 0.00 H new ATOM 0 HB3 SER A 113 -2.590 9.618 3.967 1.00 0.00 H new ATOM 0 HG SER A 113 -3.372 7.616 4.858 1.00 0.00 H new ATOM 582 N LYS A 114 -1.484 10.939 1.233 1.00 0.00 N ATOM 583 CA LYS A 114 -0.522 11.959 0.875 1.00 0.00 C ATOM 584 C LYS A 114 -0.488 13.023 1.958 1.00 0.00 C ATOM 585 O LYS A 114 -1.388 13.860 2.053 1.00 0.00 O ATOM 586 CB LYS A 114 -0.889 12.584 -0.481 1.00 0.00 C ATOM 587 CG LYS A 114 0.022 13.723 -0.934 1.00 0.00 C ATOM 588 CD LYS A 114 1.430 13.240 -1.247 1.00 0.00 C ATOM 589 CE LYS A 114 2.268 14.355 -1.858 1.00 0.00 C ATOM 590 NZ LYS A 114 3.627 13.892 -2.245 1.00 0.00 N ATOM 0 H LYS A 114 -2.457 11.231 1.147 1.00 0.00 H new ATOM 0 HA LYS A 114 0.466 11.508 0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.873 11.802 -1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.912 12.956 -0.428 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -0.403 14.197 -1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 114 0.065 14.484 -0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 114 1.906 12.881 -0.335 1.00 0.00 H new ATOM 0 HD3 LYS A 114 1.384 12.396 -1.936 1.00 0.00 H new ATOM 0 HE2 LYS A 114 1.758 14.751 -2.736 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.355 15.174 -1.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 4.341 14.428 -1.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 3.723 12.879 -2.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 3.769 14.045 -3.264 1.00 0.00 H new ATOM 604 N SER A 115 0.536 12.974 2.772 1.00 0.00 N ATOM 605 CA SER A 115 0.707 13.919 3.844 1.00 0.00 C ATOM 606 C SER A 115 1.734 14.963 3.452 1.00 0.00 C ATOM 607 O SER A 115 2.935 14.704 3.457 1.00 0.00 O ATOM 608 CB SER A 115 1.124 13.192 5.115 1.00 0.00 C ATOM 609 OG SER A 115 0.148 12.224 5.473 1.00 0.00 O ATOM 0 H SER A 115 1.276 12.275 2.709 1.00 0.00 H new ATOM 0 HA SER A 115 -0.239 14.425 4.036 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.089 12.707 4.965 1.00 0.00 H new ATOM 0 HB3 SER A 115 1.250 13.908 5.927 1.00 0.00 H new ATOM 0 HG SER A 115 0.429 11.763 6.291 1.00 0.00 H new ATOM 615 N GLY A 116 1.246 16.134 3.095 1.00 0.00 N ATOM 616 CA GLY A 116 2.113 17.192 2.635 1.00 0.00 C ATOM 617 C GLY A 116 2.887 16.771 1.400 1.00 0.00 C ATOM 618 O GLY A 116 2.323 16.667 0.307 1.00 0.00 O ATOM 0 H GLY A 116 0.255 16.374 3.116 1.00 0.00 H new ATOM 0 HA2 GLY A 116 1.521 18.079 2.411 1.00 0.00 H new ATOM 0 HA3 GLY A 116 2.809 17.465 3.428 1.00 0.00 H new ATOM 622 N SER A 117 4.171 16.505 1.574 1.00 0.00 N ATOM 623 CA SER A 117 5.007 16.068 0.478 1.00 0.00 C ATOM 624 C SER A 117 5.427 14.606 0.667 1.00 0.00 C ATOM 625 O SER A 117 6.162 14.050 -0.150 1.00 0.00 O ATOM 626 CB SER A 117 6.247 16.968 0.365 1.00 0.00 C ATOM 627 OG SER A 117 6.951 16.732 -0.849 1.00 0.00 O ATOM 0 H SER A 117 4.655 16.586 2.468 1.00 0.00 H new ATOM 0 HA SER A 117 4.432 16.143 -0.445 1.00 0.00 H new ATOM 0 HB2 SER A 117 5.945 18.014 0.415 1.00 0.00 H new ATOM 0 HB3 SER A 117 6.908 16.787 1.212 1.00 0.00 H new ATOM 0 HG SER A 117 6.890 15.782 -1.083 1.00 0.00 H new ATOM 633 N LEU A 118 4.926 13.976 1.712 1.00 0.00 N ATOM 634 CA LEU A 118 5.305 12.608 2.029 1.00 0.00 C ATOM 635 C LEU A 118 4.130 11.650 1.857 1.00 0.00 C ATOM 636 O LEU A 118 3.023 11.922 2.313 1.00 0.00 O ATOM 637 CB LEU A 118 5.827 12.531 3.468 1.00 0.00 C ATOM 638 CG LEU A 118 7.229 11.933 3.651 1.00 0.00 C ATOM 639 CD1 LEU A 118 7.280 10.498 3.151 1.00 0.00 C ATOM 640 CD2 LEU A 118 8.269 12.787 2.943 1.00 0.00 C ATOM 0 H LEU A 118 4.254 14.389 2.359 1.00 0.00 H new ATOM 0 HA LEU A 118 6.091 12.309 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.827 13.537 3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.124 11.941 4.056 1.00 0.00 H new ATOM 0 HG LEU A 118 7.457 11.924 4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 118 8.284 10.099 3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.567 9.892 3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 118 7.026 10.473 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 118 9.257 12.348 3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 118 8.040 12.832 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.257 13.794 3.359 1.00 0.00 H new ATOM 652 N TRP A 119 4.368 10.541 1.179 1.00 0.00 N ATOM 653 CA TRP A 119 3.347 9.519 1.032 1.00 0.00 C ATOM 654 C TRP A 119 3.453 8.512 2.158 1.00 0.00 C ATOM 655 O TRP A 119 4.540 8.031 2.475 1.00 0.00 O ATOM 656 CB TRP A 119 3.482 8.779 -0.304 1.00 0.00 C ATOM 657 CG TRP A 119 2.894 9.492 -1.480 1.00 0.00 C ATOM 658 CD1 TRP A 119 3.536 10.336 -2.328 1.00 0.00 C ATOM 659 CD2 TRP A 119 1.539 9.400 -1.954 1.00 0.00 C ATOM 660 NE1 TRP A 119 2.670 10.782 -3.298 1.00 0.00 N ATOM 661 CE2 TRP A 119 1.440 10.221 -3.089 1.00 0.00 C ATOM 662 CE3 TRP A 119 0.403 8.704 -1.526 1.00 0.00 C ATOM 663 CZ2 TRP A 119 0.254 10.369 -3.801 1.00 0.00 C ATOM 664 CZ3 TRP A 119 -0.774 8.853 -2.238 1.00 0.00 C ATOM 665 CH2 TRP A 119 -0.836 9.678 -3.363 1.00 0.00 C ATOM 0 H TRP A 119 5.255 10.326 0.724 1.00 0.00 H new ATOM 0 HA TRP A 119 2.378 10.018 1.062 1.00 0.00 H new ATOM 0 HB2 TRP A 119 4.539 8.599 -0.498 1.00 0.00 H new ATOM 0 HB3 TRP A 119 3.004 7.804 -0.213 1.00 0.00 H new ATOM 0 HD1 TRP A 119 4.576 10.616 -2.252 1.00 0.00 H new ATOM 0 HE1 TRP A 119 2.906 11.427 -4.052 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.444 8.063 -0.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 0.199 11.008 -4.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -1.659 8.323 -1.919 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.769 9.771 -3.898 1.00 0.00 H new ATOM 676 N TYR A 120 2.334 8.210 2.766 1.00 0.00 N ATOM 677 CA TYR A 120 2.272 7.202 3.795 1.00 0.00 C ATOM 678 C TYR A 120 1.262 6.153 3.415 1.00 0.00 C ATOM 679 O TYR A 120 0.101 6.464 3.140 1.00 0.00 O ATOM 680 CB TYR A 120 1.908 7.806 5.147 1.00 0.00 C ATOM 681 CG TYR A 120 2.977 8.700 5.731 1.00 0.00 C ATOM 682 CD1 TYR A 120 4.059 8.161 6.413 1.00 0.00 C ATOM 683 CD2 TYR A 120 2.902 10.079 5.605 1.00 0.00 C ATOM 684 CE1 TYR A 120 5.035 8.970 6.952 1.00 0.00 C ATOM 685 CE2 TYR A 120 3.876 10.895 6.143 1.00 0.00 C ATOM 686 CZ TYR A 120 4.939 10.336 6.815 1.00 0.00 C ATOM 687 OH TYR A 120 5.909 11.147 7.357 1.00 0.00 O ATOM 0 H TYR A 120 1.440 8.656 2.562 1.00 0.00 H new ATOM 0 HA TYR A 120 3.259 6.749 3.886 1.00 0.00 H new ATOM 0 HB2 TYR A 120 0.988 8.380 5.040 1.00 0.00 H new ATOM 0 HB3 TYR A 120 1.701 6.999 5.850 1.00 0.00 H new ATOM 0 HD1 TYR A 120 4.137 7.089 6.523 1.00 0.00 H new ATOM 0 HD2 TYR A 120 2.069 10.521 5.078 1.00 0.00 H new ATOM 0 HE1 TYR A 120 5.871 8.535 7.479 1.00 0.00 H new ATOM 0 HE2 TYR A 120 3.804 11.967 6.037 1.00 0.00 H new ATOM 0 HH TYR A 120 5.693 12.085 7.171 1.00 0.00 H new ATOM 697 N ILE A 121 1.695 4.922 3.385 1.00 0.00 N ATOM 698 CA ILE A 121 0.826 3.838 3.012 1.00 0.00 C ATOM 699 C ILE A 121 0.798 2.780 4.100 1.00 0.00 C ATOM 700 O ILE A 121 1.810 2.518 4.751 1.00 0.00 O ATOM 701 CB ILE A 121 1.232 3.215 1.634 1.00 0.00 C ATOM 702 CG1 ILE A 121 2.616 2.549 1.689 1.00 0.00 C ATOM 703 CG2 ILE A 121 1.210 4.273 0.543 1.00 0.00 C ATOM 704 CD1 ILE A 121 2.570 1.065 1.979 1.00 0.00 C ATOM 0 H ILE A 121 2.649 4.643 3.615 1.00 0.00 H new ATOM 0 HA ILE A 121 -0.179 4.244 2.898 1.00 0.00 H new ATOM 0 HB ILE A 121 0.499 2.442 1.402 1.00 0.00 H new ATOM 0 HG12 ILE A 121 3.123 2.708 0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.215 3.041 2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 121 1.495 3.822 -0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 121 0.206 4.690 0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 121 1.913 5.068 0.792 1.00 0.00 H new ATOM 0 HD11 ILE A 121 3.585 0.667 2.002 1.00 0.00 H new ATOM 0 HD12 ILE A 121 2.093 0.898 2.945 1.00 0.00 H new ATOM 0 HD13 ILE A 121 1.999 0.560 1.200 1.00 0.00 H new ATOM 716 N THR A 122 -0.360 2.210 4.322 1.00 0.00 N ATOM 717 CA THR A 122 -0.521 1.176 5.323 1.00 0.00 C ATOM 718 C THR A 122 -1.240 -0.014 4.720 1.00 0.00 C ATOM 719 O THR A 122 -2.316 0.138 4.145 1.00 0.00 O ATOM 720 CB THR A 122 -1.326 1.696 6.535 1.00 0.00 C ATOM 721 OG1 THR A 122 -0.723 2.896 7.041 1.00 0.00 O ATOM 722 CG2 THR A 122 -1.377 0.651 7.641 1.00 0.00 C ATOM 0 H THR A 122 -1.216 2.445 3.819 1.00 0.00 H new ATOM 0 HA THR A 122 0.470 0.879 5.665 1.00 0.00 H new ATOM 0 HB THR A 122 -2.343 1.905 6.205 1.00 0.00 H new ATOM 0 HG1 THR A 122 -1.238 3.223 7.808 1.00 0.00 H new ATOM 0 HG21 THR A 122 -1.949 1.040 8.483 1.00 0.00 H new ATOM 0 HG22 THR A 122 -1.855 -0.254 7.265 1.00 0.00 H new ATOM 0 HG23 THR A 122 -0.364 0.417 7.968 1.00 0.00 H new ATOM 730 N VAL A 123 -0.660 -1.193 4.841 1.00 0.00 N ATOM 731 CA VAL A 123 -1.274 -2.380 4.290 1.00 0.00 C ATOM 732 C VAL A 123 -2.094 -3.111 5.356 1.00 0.00 C ATOM 733 O VAL A 123 -1.553 -3.656 6.322 1.00 0.00 O ATOM 734 CB VAL A 123 -0.230 -3.333 3.629 1.00 0.00 C ATOM 735 CG1 VAL A 123 0.933 -3.628 4.566 1.00 0.00 C ATOM 736 CG2 VAL A 123 -0.891 -4.624 3.160 1.00 0.00 C ATOM 0 H VAL A 123 0.230 -1.351 5.313 1.00 0.00 H new ATOM 0 HA VAL A 123 -1.950 -2.057 3.498 1.00 0.00 H new ATOM 0 HB VAL A 123 0.174 -2.820 2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.639 -4.295 4.071 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.435 -2.696 4.827 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.558 -4.104 5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -0.142 -5.271 2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -1.339 -5.134 4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -1.665 -4.392 2.428 1.00 0.00 H new ATOM 746 N MET A 124 -3.399 -3.073 5.188 1.00 0.00 N ATOM 747 CA MET A 124 -4.323 -3.713 6.112 1.00 0.00 C ATOM 748 C MET A 124 -4.987 -4.905 5.434 1.00 0.00 C ATOM 749 O MET A 124 -5.243 -4.872 4.237 1.00 0.00 O ATOM 750 CB MET A 124 -5.403 -2.718 6.570 1.00 0.00 C ATOM 751 CG MET A 124 -4.873 -1.431 7.206 1.00 0.00 C ATOM 752 SD MET A 124 -4.526 -1.566 8.980 1.00 0.00 S ATOM 753 CE MET A 124 -3.073 -2.616 8.999 1.00 0.00 C ATOM 0 H MET A 124 -3.853 -2.598 4.408 1.00 0.00 H new ATOM 0 HA MET A 124 -3.763 -4.052 6.983 1.00 0.00 H new ATOM 0 HB2 MET A 124 -6.019 -2.453 5.710 1.00 0.00 H new ATOM 0 HB3 MET A 124 -6.054 -3.218 7.287 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.960 -1.134 6.690 1.00 0.00 H new ATOM 0 HG3 MET A 124 -5.601 -0.635 7.049 1.00 0.00 H new ATOM 0 HE1 MET A 124 -2.475 -2.394 9.883 1.00 0.00 H new ATOM 0 HE2 MET A 124 -3.380 -3.662 9.021 1.00 0.00 H new ATOM 0 HE3 MET A 124 -2.479 -2.431 8.104 1.00 0.00 H new ATOM 763 N PRO A 125 -5.249 -5.979 6.174 1.00 0.00 N ATOM 764 CA PRO A 125 -5.909 -7.150 5.631 1.00 0.00 C ATOM 765 C PRO A 125 -7.434 -7.074 5.741 1.00 0.00 C ATOM 766 O PRO A 125 -7.975 -6.459 6.667 1.00 0.00 O ATOM 767 CB PRO A 125 -5.366 -8.273 6.507 1.00 0.00 C ATOM 768 CG PRO A 125 -5.131 -7.636 7.841 1.00 0.00 C ATOM 769 CD PRO A 125 -4.892 -6.160 7.592 1.00 0.00 C ATOM 0 HA PRO A 125 -5.716 -7.276 4.566 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -6.077 -9.096 6.581 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -4.444 -8.684 6.097 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -5.991 -7.782 8.495 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -4.272 -8.087 8.338 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -5.509 -5.540 8.242 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -3.854 -5.886 7.781 1.00 0.00 H new ATOM 777 N CYS A 126 -8.117 -7.682 4.786 1.00 0.00 N ATOM 778 CA CYS A 126 -9.566 -7.748 4.816 1.00 0.00 C ATOM 779 C CYS A 126 -10.009 -8.880 5.718 1.00 0.00 C ATOM 780 O CYS A 126 -9.223 -9.780 6.027 1.00 0.00 O ATOM 781 CB CYS A 126 -10.143 -7.961 3.411 1.00 0.00 C ATOM 782 SG CYS A 126 -10.137 -6.479 2.343 1.00 0.00 S ATOM 0 H CYS A 126 -7.689 -8.137 3.980 1.00 0.00 H new ATOM 0 HA CYS A 126 -9.938 -6.799 5.201 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -9.575 -8.749 2.917 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -11.168 -8.318 3.506 1.00 0.00 H new ATOM 787 N SER A 127 -11.254 -8.828 6.149 1.00 0.00 N ATOM 788 CA SER A 127 -11.805 -9.871 6.979 1.00 0.00 C ATOM 789 C SER A 127 -11.777 -11.201 6.225 1.00 0.00 C ATOM 790 O SER A 127 -11.984 -11.241 5.006 1.00 0.00 O ATOM 791 CB SER A 127 -13.237 -9.518 7.393 1.00 0.00 C ATOM 792 OG SER A 127 -13.727 -10.413 8.382 1.00 0.00 O ATOM 0 H SER A 127 -11.902 -8.070 5.935 1.00 0.00 H new ATOM 0 HA SER A 127 -11.201 -9.966 7.881 1.00 0.00 H new ATOM 0 HB2 SER A 127 -13.265 -8.498 7.777 1.00 0.00 H new ATOM 0 HB3 SER A 127 -13.888 -9.548 6.519 1.00 0.00 H new ATOM 0 HG SER A 127 -14.642 -10.161 8.627 1.00 0.00 H new ATOM 798 N ILE A 128 -11.495 -12.272 6.942 1.00 0.00 N ATOM 799 CA ILE A 128 -11.437 -13.597 6.352 1.00 0.00 C ATOM 800 C ILE A 128 -12.737 -13.909 5.609 1.00 0.00 C ATOM 801 O ILE A 128 -13.836 -13.738 6.156 1.00 0.00 O ATOM 802 CB ILE A 128 -11.142 -14.697 7.426 1.00 0.00 C ATOM 803 CG1 ILE A 128 -9.666 -14.642 7.881 1.00 0.00 C ATOM 804 CG2 ILE A 128 -11.475 -16.089 6.899 1.00 0.00 C ATOM 805 CD1 ILE A 128 -9.269 -13.362 8.596 1.00 0.00 C ATOM 0 H ILE A 128 -11.301 -12.250 7.943 1.00 0.00 H new ATOM 0 HA ILE A 128 -10.613 -13.604 5.639 1.00 0.00 H new ATOM 0 HB ILE A 128 -11.781 -14.494 8.285 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -9.472 -15.486 8.542 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -9.026 -14.768 7.008 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -11.259 -16.831 7.668 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -12.532 -16.135 6.637 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -10.872 -16.297 6.015 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -8.217 -13.414 8.878 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -9.426 -12.511 7.933 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -9.879 -13.241 9.491 1.00 0.00 H new ATOM 817 N GLY A 129 -12.601 -14.352 4.367 1.00 0.00 N ATOM 818 CA GLY A 129 -13.757 -14.635 3.549 1.00 0.00 C ATOM 819 C GLY A 129 -14.081 -13.525 2.563 1.00 0.00 C ATOM 820 O GLY A 129 -14.950 -13.689 1.703 1.00 0.00 O ATOM 0 H GLY A 129 -11.704 -14.520 3.912 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -13.587 -15.561 3.000 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -14.619 -14.801 4.195 1.00 0.00 H new ATOM 824 N THR A 130 -13.392 -12.394 2.677 1.00 0.00 N ATOM 825 CA THR A 130 -13.638 -11.276 1.778 1.00 0.00 C ATOM 826 C THR A 130 -12.356 -10.851 1.050 1.00 0.00 C ATOM 827 O THR A 130 -11.247 -11.237 1.438 1.00 0.00 O ATOM 828 CB THR A 130 -14.235 -10.049 2.523 1.00 0.00 C ATOM 829 OG1 THR A 130 -13.318 -9.565 3.514 1.00 0.00 O ATOM 830 CG2 THR A 130 -15.559 -10.404 3.187 1.00 0.00 C ATOM 0 H THR A 130 -12.667 -12.230 3.375 1.00 0.00 H new ATOM 0 HA THR A 130 -14.367 -11.626 1.047 1.00 0.00 H new ATOM 0 HB THR A 130 -14.411 -9.267 1.784 1.00 0.00 H new ATOM 0 HG1 THR A 130 -13.067 -10.299 4.113 1.00 0.00 H new ATOM 0 HG21 THR A 130 -15.955 -9.528 3.701 1.00 0.00 H new ATOM 0 HG22 THR A 130 -16.270 -10.732 2.429 1.00 0.00 H new ATOM 0 HG23 THR A 130 -15.401 -11.207 3.907 1.00 0.00 H new ATOM 838 N LYS A 131 -12.526 -10.068 -0.002 1.00 0.00 N ATOM 839 CA LYS A 131 -11.426 -9.547 -0.796 1.00 0.00 C ATOM 840 C LYS A 131 -11.666 -8.066 -1.062 1.00 0.00 C ATOM 841 O LYS A 131 -12.811 -7.634 -1.179 1.00 0.00 O ATOM 842 CB LYS A 131 -11.327 -10.308 -2.119 1.00 0.00 C ATOM 843 CG LYS A 131 -12.604 -10.261 -2.943 1.00 0.00 C ATOM 844 CD LYS A 131 -12.470 -11.051 -4.225 1.00 0.00 C ATOM 845 CE LYS A 131 -13.757 -11.014 -5.024 1.00 0.00 C ATOM 846 NZ LYS A 131 -13.628 -11.736 -6.311 1.00 0.00 N ATOM 0 H LYS A 131 -13.444 -9.772 -0.333 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.490 -9.675 -0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -10.509 -9.893 -2.707 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -11.075 -11.348 -1.913 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -13.431 -10.658 -2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -12.848 -9.225 -3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -11.655 -10.644 -4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -12.211 -12.084 -3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -14.561 -11.458 -4.438 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -14.036 -9.978 -5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -14.529 -11.688 -6.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -12.878 -11.297 -6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -13.387 -12.731 -6.128 1.00 0.00 H new ATOM 860 N PHE A 132 -10.610 -7.293 -1.149 1.00 0.00 N ATOM 861 CA PHE A 132 -10.749 -5.858 -1.340 1.00 0.00 C ATOM 862 C PHE A 132 -10.986 -5.487 -2.802 1.00 0.00 C ATOM 863 O PHE A 132 -10.373 -6.050 -3.712 1.00 0.00 O ATOM 864 CB PHE A 132 -9.523 -5.132 -0.811 1.00 0.00 C ATOM 865 CG PHE A 132 -9.742 -3.665 -0.600 1.00 0.00 C ATOM 866 CD1 PHE A 132 -10.308 -3.203 0.571 1.00 0.00 C ATOM 867 CD2 PHE A 132 -9.378 -2.750 -1.569 1.00 0.00 C ATOM 868 CE1 PHE A 132 -10.507 -1.857 0.774 1.00 0.00 C ATOM 869 CE2 PHE A 132 -9.573 -1.402 -1.372 1.00 0.00 C ATOM 870 CZ PHE A 132 -10.138 -0.955 -0.199 1.00 0.00 C ATOM 0 H PHE A 132 -9.647 -7.625 -1.092 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.628 -5.545 -0.777 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -9.221 -5.586 0.133 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -8.698 -5.271 -1.510 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -10.598 -3.907 1.337 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -8.936 -3.096 -2.491 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -10.952 -1.508 1.694 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -9.283 -0.696 -2.136 1.00 0.00 H new ATOM 0 HZ PHE A 132 -10.292 0.102 -0.042 1.00 0.00 H new ATOM 880 N ASP A 133 -11.886 -4.538 -3.011 1.00 0.00 N ATOM 881 CA ASP A 133 -12.183 -4.025 -4.343 1.00 0.00 C ATOM 882 C ASP A 133 -11.619 -2.618 -4.484 1.00 0.00 C ATOM 883 O ASP A 133 -11.896 -1.750 -3.657 1.00 0.00 O ATOM 884 CB ASP A 133 -13.697 -4.019 -4.592 1.00 0.00 C ATOM 885 CG ASP A 133 -14.062 -3.568 -5.994 1.00 0.00 C ATOM 886 OD1 ASP A 133 -14.068 -4.411 -6.908 1.00 0.00 O ATOM 887 OD2 ASP A 133 -14.358 -2.375 -6.184 1.00 0.00 O ATOM 0 H ASP A 133 -12.430 -4.102 -2.266 1.00 0.00 H new ATOM 0 HA ASP A 133 -11.718 -4.674 -5.085 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -14.092 -5.021 -4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -14.177 -3.361 -3.867 1.00 0.00 H new ATOM 892 N PRO A 134 -10.818 -2.375 -5.536 1.00 0.00 N ATOM 893 CA PRO A 134 -10.147 -1.080 -5.751 1.00 0.00 C ATOM 894 C PRO A 134 -11.113 0.075 -5.986 1.00 0.00 C ATOM 895 O PRO A 134 -10.898 1.183 -5.491 1.00 0.00 O ATOM 896 CB PRO A 134 -9.298 -1.316 -7.007 1.00 0.00 C ATOM 897 CG PRO A 134 -9.931 -2.479 -7.690 1.00 0.00 C ATOM 898 CD PRO A 134 -10.504 -3.340 -6.604 1.00 0.00 C ATOM 0 HA PRO A 134 -9.576 -0.788 -4.870 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -9.293 -0.436 -7.650 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.261 -1.528 -6.748 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -10.710 -2.150 -8.378 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -9.198 -3.031 -8.279 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -11.394 -3.872 -6.940 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -9.790 -4.093 -6.269 1.00 0.00 H new ATOM 906 N ILE A 135 -12.160 -0.182 -6.742 1.00 0.00 N ATOM 907 CA ILE A 135 -13.113 0.853 -7.094 1.00 0.00 C ATOM 908 C ILE A 135 -14.058 1.158 -5.937 1.00 0.00 C ATOM 909 O ILE A 135 -14.216 2.319 -5.547 1.00 0.00 O ATOM 910 CB ILE A 135 -13.924 0.466 -8.353 1.00 0.00 C ATOM 911 CG1 ILE A 135 -12.974 0.067 -9.498 1.00 0.00 C ATOM 912 CG2 ILE A 135 -14.832 1.610 -8.782 1.00 0.00 C ATOM 913 CD1 ILE A 135 -11.889 1.093 -9.795 1.00 0.00 C ATOM 0 H ILE A 135 -12.374 -1.102 -7.126 1.00 0.00 H new ATOM 0 HA ILE A 135 -12.539 1.753 -7.315 1.00 0.00 H new ATOM 0 HB ILE A 135 -14.552 -0.391 -8.109 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -12.501 -0.883 -9.249 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -13.561 -0.096 -10.402 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -15.393 1.316 -9.669 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -15.526 1.846 -7.975 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -14.228 2.488 -9.009 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -11.264 0.735 -10.613 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -12.351 2.039 -10.078 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -11.275 1.240 -8.907 1.00 0.00 H new ATOM 925 N SER A 136 -14.680 0.124 -5.390 1.00 0.00 N ATOM 926 CA SER A 136 -15.590 0.282 -4.265 1.00 0.00 C ATOM 927 C SER A 136 -14.847 0.826 -3.049 1.00 0.00 C ATOM 928 O SER A 136 -15.397 1.617 -2.274 1.00 0.00 O ATOM 929 CB SER A 136 -16.234 -1.063 -3.925 1.00 0.00 C ATOM 930 OG SER A 136 -16.733 -1.702 -5.096 1.00 0.00 O ATOM 0 H SER A 136 -14.570 -0.839 -5.709 1.00 0.00 H new ATOM 0 HA SER A 136 -16.368 0.993 -4.543 1.00 0.00 H new ATOM 0 HB2 SER A 136 -15.502 -1.708 -3.439 1.00 0.00 H new ATOM 0 HB3 SER A 136 -17.047 -0.912 -3.215 1.00 0.00 H new ATOM 0 HG SER A 136 -15.982 -2.009 -5.646 1.00 0.00 H new ATOM 936 N ARG A 137 -13.593 0.384 -2.893 1.00 0.00 N ATOM 937 CA ARG A 137 -12.717 0.818 -1.802 1.00 0.00 C ATOM 938 C ARG A 137 -13.149 0.201 -0.481 1.00 0.00 C ATOM 939 O ARG A 137 -13.121 0.851 0.567 1.00 0.00 O ATOM 940 CB ARG A 137 -12.652 2.354 -1.699 1.00 0.00 C ATOM 941 CG ARG A 137 -12.023 3.026 -2.912 1.00 0.00 C ATOM 942 CD ARG A 137 -12.038 4.543 -2.788 1.00 0.00 C ATOM 943 NE ARG A 137 -13.400 5.084 -2.770 1.00 0.00 N ATOM 944 CZ ARG A 137 -13.696 6.387 -2.821 1.00 0.00 C ATOM 945 NH1 ARG A 137 -12.726 7.298 -2.903 1.00 0.00 N ATOM 946 NH2 ARG A 137 -14.965 6.778 -2.790 1.00 0.00 N ATOM 0 H ARG A 137 -13.157 -0.288 -3.524 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.711 0.465 -2.030 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -13.661 2.743 -1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.083 2.625 -0.810 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -10.996 2.681 -3.027 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -12.562 2.729 -3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -11.520 4.836 -1.875 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -11.487 4.979 -3.621 1.00 0.00 H new ATOM 0 HE ARG A 137 -14.174 4.422 -2.715 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -11.750 7.003 -2.927 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -12.960 8.290 -2.942 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -15.711 6.085 -2.727 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -15.194 7.771 -2.829 1.00 0.00 H new ATOM 960 N ASN A 138 -13.507 -1.073 -0.534 1.00 0.00 N ATOM 961 CA ASN A 138 -13.917 -1.823 0.644 1.00 0.00 C ATOM 962 C ASN A 138 -13.731 -3.308 0.368 1.00 0.00 C ATOM 963 O ASN A 138 -13.339 -3.687 -0.742 1.00 0.00 O ATOM 964 CB ASN A 138 -15.380 -1.513 1.028 1.00 0.00 C ATOM 965 CG ASN A 138 -16.401 -2.090 0.063 1.00 0.00 C ATOM 966 OD1 ASN A 138 -16.738 -1.472 -0.942 1.00 0.00 O ATOM 967 ND2 ASN A 138 -16.924 -3.263 0.380 1.00 0.00 N ATOM 0 H ASN A 138 -13.521 -1.617 -1.397 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.297 -1.527 1.490 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -15.575 -1.905 2.026 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -15.512 -0.432 1.079 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -17.633 -3.684 -0.220 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -16.618 -3.746 1.224 1.00 0.00 H new ATOM 974 N CYS A 139 -14.016 -4.143 1.346 1.00 0.00 N ATOM 975 CA CYS A 139 -13.840 -5.574 1.174 1.00 0.00 C ATOM 976 C CYS A 139 -15.183 -6.234 0.881 1.00 0.00 C ATOM 977 O CYS A 139 -16.150 -6.072 1.629 1.00 0.00 O ATOM 978 CB CYS A 139 -13.201 -6.199 2.430 1.00 0.00 C ATOM 979 SG CYS A 139 -11.691 -5.345 3.027 1.00 0.00 S ATOM 0 H CYS A 139 -14.367 -3.861 2.261 1.00 0.00 H new ATOM 0 HA CYS A 139 -13.171 -5.742 0.330 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -13.939 -6.206 3.232 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -12.953 -7.239 2.216 1.00 0.00 H new ATOM 984 N VAL A 140 -15.237 -6.965 -0.212 1.00 0.00 N ATOM 985 CA VAL A 140 -16.446 -7.639 -0.634 1.00 0.00 C ATOM 986 C VAL A 140 -16.269 -9.140 -0.512 1.00 0.00 C ATOM 987 O VAL A 140 -15.154 -9.619 -0.362 1.00 0.00 O ATOM 988 CB VAL A 140 -16.815 -7.274 -2.093 1.00 0.00 C ATOM 989 CG1 VAL A 140 -17.067 -5.779 -2.222 1.00 0.00 C ATOM 990 CG2 VAL A 140 -15.718 -7.717 -3.058 1.00 0.00 C ATOM 0 H VAL A 140 -14.442 -7.109 -0.834 1.00 0.00 H new ATOM 0 HA VAL A 140 -17.258 -7.311 0.015 1.00 0.00 H new ATOM 0 HB VAL A 140 -17.732 -7.803 -2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -17.325 -5.541 -3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -17.889 -5.491 -1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.168 -5.233 -1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -16.000 -7.450 -4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.783 -7.221 -2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -15.587 -8.797 -2.989 1.00 0.00 H new ATOM 1000 N LEU A 141 -17.361 -9.868 -0.565 1.00 0.00 N ATOM 1001 CA LEU A 141 -17.328 -11.316 -0.436 1.00 0.00 C ATOM 1002 C LEU A 141 -16.429 -11.959 -1.487 1.00 0.00 C ATOM 1003 O LEU A 141 -16.598 -11.743 -2.690 1.00 0.00 O ATOM 1004 CB LEU A 141 -18.731 -11.897 -0.538 1.00 0.00 C ATOM 1005 CG LEU A 141 -18.826 -13.410 -0.372 1.00 0.00 C ATOM 1006 CD1 LEU A 141 -18.417 -13.824 1.031 1.00 0.00 C ATOM 1007 CD2 LEU A 141 -20.222 -13.887 -0.684 1.00 0.00 C ATOM 0 H LEU A 141 -18.295 -9.480 -0.698 1.00 0.00 H new ATOM 0 HA LEU A 141 -16.915 -11.540 0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -19.357 -11.425 0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -19.148 -11.628 -1.509 1.00 0.00 H new ATOM 0 HG LEU A 141 -18.138 -13.877 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -18.492 -14.907 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -17.389 -13.514 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -19.076 -13.349 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -20.273 -14.969 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -20.929 -13.411 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -20.474 -13.627 -1.712 1.00 0.00 H new ATOM 1019 N ASP A 142 -15.477 -12.745 -1.025 1.00 0.00 N ATOM 1020 CA ASP A 142 -14.584 -13.449 -1.911 1.00 0.00 C ATOM 1021 C ASP A 142 -15.157 -14.811 -2.248 1.00 0.00 C ATOM 1022 O ASP A 142 -15.011 -15.772 -1.480 1.00 0.00 O ATOM 1023 CB ASP A 142 -13.195 -13.589 -1.281 1.00 0.00 C ATOM 1024 CG ASP A 142 -12.241 -14.419 -2.121 1.00 0.00 C ATOM 1025 OD1 ASP A 142 -12.364 -14.413 -3.363 1.00 0.00 O ATOM 1026 OD2 ASP A 142 -11.349 -15.075 -1.537 1.00 0.00 O ATOM 0 H ASP A 142 -15.305 -12.910 -0.033 1.00 0.00 H new ATOM 0 HA ASP A 142 -14.480 -12.874 -2.831 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -12.769 -12.597 -1.131 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -13.294 -14.045 -0.296 1.00 0.00 H new