USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 516 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 43 TYR OH : rot -77:sc= 0.675 USER MOD Set 1.2: A 75 CYS SG : rot -54:sc= 0.281 USER MOD Set 2.1: A 41 THR OG1 : rot -68:sc= 0.344 USER MOD Set 2.2: A 79 THR OG1 : rot 106:sc= 1.38 USER MOD Single : A 40 ASN : amide:sc= -2.86! C(o=-2.9!,f=-3!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -151:sc= -0.41 (180deg=-3.79!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0975 USER MOD Single : A 59 SER OG : rot -170:sc= -2.01! USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -128:sc= -0.81 (180deg=-1.19) USER MOD Single : A 74 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.0012) USER MOD Single : A 80 TYR OH : rot -24:sc= -2.33! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -145:sc= -0.299 (180deg=-1.3!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0684 USER MOD Single : A 88 GLN : amide:sc= -0.0378 K(o=-0.038,f=-0.89) USER MOD Single : A 94 ASN : amide:sc= -0.0473 K(o=-0.047,f=-3.2!) USER MOD Single : A 96 THR OG1 : rot -94:sc= 0.407 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 100 SER OG : rot 61:sc= 0.0506 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -1.35 K(o=-1.3,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 78 N ASN A 40 -38.966 3.476 2.638 1.00 0.00 N ATOM 79 CA ASN A 40 -37.729 4.264 2.373 1.00 0.00 C ATOM 80 C ASN A 40 -37.453 4.291 0.868 1.00 0.00 C ATOM 81 O ASN A 40 -36.800 3.419 0.331 1.00 0.00 O ATOM 82 CB ASN A 40 -36.547 3.616 3.096 1.00 0.00 C ATOM 83 CG ASN A 40 -35.379 4.601 3.149 1.00 0.00 C ATOM 84 OD1 ASN A 40 -35.480 5.708 2.658 1.00 0.00 O ATOM 85 ND2 ASN A 40 -34.265 4.245 3.729 1.00 0.00 N ATOM 0 HA ASN A 40 -37.863 5.283 2.736 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -36.839 3.327 4.106 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -36.245 2.705 2.578 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -33.481 4.896 3.770 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -34.179 3.316 4.142 1.00 0.00 H new ATOM 92 N THR A 41 -37.948 5.286 0.182 1.00 0.00 N ATOM 93 CA THR A 41 -37.713 5.368 -1.287 1.00 0.00 C ATOM 94 C THR A 41 -36.364 6.037 -1.554 1.00 0.00 C ATOM 95 O THR A 41 -36.019 7.027 -0.940 1.00 0.00 O ATOM 96 CB THR A 41 -38.828 6.191 -1.938 1.00 0.00 C ATOM 97 OG1 THR A 41 -40.088 5.623 -1.610 1.00 0.00 O ATOM 98 CG2 THR A 41 -38.644 6.191 -3.457 1.00 0.00 C ATOM 0 H THR A 41 -38.504 6.045 0.576 1.00 0.00 H new ATOM 0 HA THR A 41 -37.709 4.363 -1.709 1.00 0.00 H new ATOM 0 HB THR A 41 -38.786 7.216 -1.570 1.00 0.00 H new ATOM 0 HG1 THR A 41 -40.179 4.752 -2.050 1.00 0.00 H new ATOM 0 HG21 THR A 41 -39.438 6.777 -3.920 1.00 0.00 H new ATOM 0 HG22 THR A 41 -37.677 6.629 -3.706 1.00 0.00 H new ATOM 0 HG23 THR A 41 -38.685 5.167 -3.828 1.00 0.00 H new ATOM 106 N LEU A 42 -35.597 5.503 -2.465 1.00 0.00 N ATOM 107 CA LEU A 42 -34.271 6.108 -2.773 1.00 0.00 C ATOM 108 C LEU A 42 -34.298 6.710 -4.178 1.00 0.00 C ATOM 109 O LEU A 42 -34.927 6.186 -5.076 1.00 0.00 O ATOM 110 CB LEU A 42 -33.190 5.029 -2.699 1.00 0.00 C ATOM 111 CG LEU A 42 -33.298 4.288 -1.365 1.00 0.00 C ATOM 112 CD1 LEU A 42 -32.294 3.133 -1.341 1.00 0.00 C ATOM 113 CD2 LEU A 42 -32.992 5.254 -0.219 1.00 0.00 C ATOM 0 H LEU A 42 -35.832 4.673 -3.010 1.00 0.00 H new ATOM 0 HA LEU A 42 -34.052 6.892 -2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -33.303 4.328 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -32.203 5.481 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 42 -34.308 3.894 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -32.370 2.604 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -32.512 2.445 -2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -31.284 3.526 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -33.069 4.727 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -31.982 5.648 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -33.707 6.077 -0.236 1.00 0.00 H new ATOM 125 N TYR A 43 -33.620 7.807 -4.378 1.00 0.00 N ATOM 126 CA TYR A 43 -33.609 8.441 -5.726 1.00 0.00 C ATOM 127 C TYR A 43 -32.456 7.866 -6.552 1.00 0.00 C ATOM 128 O TYR A 43 -31.311 7.902 -6.147 1.00 0.00 O ATOM 129 CB TYR A 43 -33.425 9.953 -5.577 1.00 0.00 C ATOM 130 CG TYR A 43 -33.469 10.602 -6.939 1.00 0.00 C ATOM 131 CD1 TYR A 43 -34.700 10.929 -7.519 1.00 0.00 C ATOM 132 CD2 TYR A 43 -32.278 10.877 -7.623 1.00 0.00 C ATOM 133 CE1 TYR A 43 -34.741 11.530 -8.783 1.00 0.00 C ATOM 134 CE2 TYR A 43 -32.319 11.479 -8.886 1.00 0.00 C ATOM 135 CZ TYR A 43 -33.551 11.805 -9.466 1.00 0.00 C ATOM 136 OH TYR A 43 -33.592 12.397 -10.712 1.00 0.00 O ATOM 0 H TYR A 43 -33.073 8.291 -3.666 1.00 0.00 H new ATOM 0 HA TYR A 43 -34.554 8.237 -6.230 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -34.209 10.364 -4.941 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -32.474 10.168 -5.090 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -35.618 10.718 -6.992 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -31.328 10.625 -7.176 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -35.691 11.781 -9.231 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -31.401 11.692 -9.413 1.00 0.00 H new ATOM 0 HH TYR A 43 -33.847 11.730 -11.383 1.00 0.00 H new ATOM 146 N VAL A 44 -32.748 7.337 -7.709 1.00 0.00 N ATOM 147 CA VAL A 44 -31.669 6.762 -8.560 1.00 0.00 C ATOM 148 C VAL A 44 -31.644 7.485 -9.908 1.00 0.00 C ATOM 149 O VAL A 44 -32.660 7.650 -10.553 1.00 0.00 O ATOM 150 CB VAL A 44 -31.936 5.272 -8.785 1.00 0.00 C ATOM 151 CG1 VAL A 44 -30.798 4.668 -9.610 1.00 0.00 C ATOM 152 CG2 VAL A 44 -32.021 4.560 -7.434 1.00 0.00 C ATOM 0 H VAL A 44 -33.688 7.278 -8.101 1.00 0.00 H new ATOM 0 HA VAL A 44 -30.707 6.887 -8.062 1.00 0.00 H new ATOM 0 HB VAL A 44 -32.877 5.148 -9.321 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -30.988 3.607 -9.770 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -30.738 5.175 -10.573 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -29.856 4.791 -9.076 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -32.211 3.499 -7.593 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -31.080 4.684 -6.898 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -32.832 4.990 -6.847 1.00 0.00 H new ATOM 162 N TYR A 45 -30.491 7.919 -10.339 1.00 0.00 N ATOM 163 CA TYR A 45 -30.405 8.633 -11.644 1.00 0.00 C ATOM 164 C TYR A 45 -29.428 7.896 -12.565 1.00 0.00 C ATOM 165 O TYR A 45 -28.449 7.328 -12.121 1.00 0.00 O ATOM 166 CB TYR A 45 -29.906 10.060 -11.413 1.00 0.00 C ATOM 167 CG TYR A 45 -29.936 10.821 -12.717 1.00 0.00 C ATOM 168 CD1 TYR A 45 -31.129 11.409 -13.158 1.00 0.00 C ATOM 169 CD2 TYR A 45 -28.773 10.936 -13.486 1.00 0.00 C ATOM 170 CE1 TYR A 45 -31.157 12.114 -14.367 1.00 0.00 C ATOM 171 CE2 TYR A 45 -28.801 11.641 -14.697 1.00 0.00 C ATOM 172 CZ TYR A 45 -29.993 12.229 -15.136 1.00 0.00 C ATOM 173 OH TYR A 45 -30.020 12.924 -16.329 1.00 0.00 O ATOM 0 H TYR A 45 -29.606 7.810 -9.844 1.00 0.00 H new ATOM 0 HA TYR A 45 -31.391 8.663 -12.107 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -30.531 10.560 -10.673 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -28.892 10.042 -11.013 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -32.027 11.318 -12.565 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -27.854 10.482 -13.147 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -32.076 12.569 -14.706 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -27.904 11.731 -15.291 1.00 0.00 H new ATOM 0 HH TYR A 45 -29.129 12.909 -16.737 1.00 0.00 H new ATOM 183 N GLY A 46 -29.687 7.900 -13.844 1.00 0.00 N ATOM 184 CA GLY A 46 -28.774 7.201 -14.791 1.00 0.00 C ATOM 185 C GLY A 46 -29.403 7.182 -16.186 1.00 0.00 C ATOM 186 O GLY A 46 -30.549 7.544 -16.365 1.00 0.00 O ATOM 0 H GLY A 46 -30.491 8.357 -14.274 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -27.809 7.707 -14.822 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -28.589 6.182 -14.450 1.00 0.00 H new ATOM 190 N GLU A 47 -28.662 6.764 -17.175 1.00 0.00 N ATOM 191 CA GLU A 47 -29.217 6.723 -18.557 1.00 0.00 C ATOM 192 C GLU A 47 -29.379 5.267 -18.998 1.00 0.00 C ATOM 193 O GLU A 47 -28.752 4.374 -18.463 1.00 0.00 O ATOM 194 CB GLU A 47 -28.264 7.444 -19.512 1.00 0.00 C ATOM 195 CG GLU A 47 -28.124 8.906 -19.085 1.00 0.00 C ATOM 196 CD GLU A 47 -27.260 9.654 -20.102 1.00 0.00 C ATOM 197 OE1 GLU A 47 -26.686 8.999 -20.957 1.00 0.00 O ATOM 198 OE2 GLU A 47 -27.188 10.868 -20.009 1.00 0.00 O ATOM 0 H GLU A 47 -27.696 6.449 -17.086 1.00 0.00 H new ATOM 0 HA GLU A 47 -30.188 7.217 -18.573 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -27.289 6.957 -19.506 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -28.642 7.387 -20.533 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -29.107 9.371 -19.015 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -27.672 8.965 -18.095 1.00 0.00 H new ATOM 205 N ASP A 48 -30.214 5.020 -19.969 1.00 0.00 N ATOM 206 CA ASP A 48 -30.414 3.621 -20.441 1.00 0.00 C ATOM 207 C ASP A 48 -30.571 2.694 -19.234 1.00 0.00 C ATOM 208 O ASP A 48 -29.823 1.754 -19.059 1.00 0.00 O ATOM 209 CB ASP A 48 -29.203 3.182 -21.266 1.00 0.00 C ATOM 210 CG ASP A 48 -29.074 4.077 -22.500 1.00 0.00 C ATOM 211 OD1 ASP A 48 -30.049 4.726 -22.841 1.00 0.00 O ATOM 212 OD2 ASP A 48 -28.003 4.098 -23.083 1.00 0.00 O ATOM 0 H ASP A 48 -30.766 5.726 -20.456 1.00 0.00 H new ATOM 0 HA ASP A 48 -31.311 3.571 -21.058 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -28.297 3.244 -20.663 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -29.314 2.141 -21.569 1.00 0.00 H new ATOM 217 N MET A 49 -31.540 2.954 -18.397 1.00 0.00 N ATOM 218 CA MET A 49 -31.744 2.090 -17.202 1.00 0.00 C ATOM 219 C MET A 49 -33.019 1.263 -17.380 1.00 0.00 C ATOM 220 O MET A 49 -34.040 1.763 -17.808 1.00 0.00 O ATOM 221 CB MET A 49 -31.873 2.966 -15.955 1.00 0.00 C ATOM 222 CG MET A 49 -30.548 3.687 -15.699 1.00 0.00 C ATOM 223 SD MET A 49 -30.657 4.621 -14.153 1.00 0.00 S ATOM 224 CE MET A 49 -32.125 5.591 -14.576 1.00 0.00 C ATOM 0 H MET A 49 -32.198 3.728 -18.491 1.00 0.00 H new ATOM 0 HA MET A 49 -30.891 1.421 -17.089 1.00 0.00 H new ATOM 0 HB2 MET A 49 -32.675 3.692 -16.089 1.00 0.00 H new ATOM 0 HB3 MET A 49 -32.139 2.354 -15.093 1.00 0.00 H new ATOM 0 HG2 MET A 49 -29.734 2.965 -15.643 1.00 0.00 H new ATOM 0 HG3 MET A 49 -30.322 4.359 -16.527 1.00 0.00 H new ATOM 0 HE1 MET A 49 -32.092 6.548 -14.055 1.00 0.00 H new ATOM 0 HE2 MET A 49 -32.149 5.765 -15.652 1.00 0.00 H new ATOM 0 HE3 MET A 49 -33.020 5.046 -14.277 1.00 0.00 H new ATOM 234 N THR A 50 -32.969 0.000 -17.054 1.00 0.00 N ATOM 235 CA THR A 50 -34.178 -0.857 -17.204 1.00 0.00 C ATOM 236 C THR A 50 -34.568 -1.434 -15.840 1.00 0.00 C ATOM 237 O THR A 50 -33.811 -1.371 -14.892 1.00 0.00 O ATOM 238 CB THR A 50 -33.875 -2.001 -18.176 1.00 0.00 C ATOM 239 OG1 THR A 50 -32.494 -2.325 -18.105 1.00 0.00 O ATOM 240 CG2 THR A 50 -34.227 -1.569 -19.600 1.00 0.00 C ATOM 0 H THR A 50 -32.143 -0.475 -16.690 1.00 0.00 H new ATOM 0 HA THR A 50 -35.002 -0.259 -17.593 1.00 0.00 H new ATOM 0 HB THR A 50 -34.469 -2.875 -17.907 1.00 0.00 H new ATOM 0 HG1 THR A 50 -32.298 -3.058 -18.725 1.00 0.00 H new ATOM 0 HG21 THR A 50 -34.011 -2.384 -20.291 1.00 0.00 H new ATOM 0 HG22 THR A 50 -35.287 -1.319 -19.653 1.00 0.00 H new ATOM 0 HG23 THR A 50 -33.634 -0.696 -19.872 1.00 0.00 H new ATOM 248 N PRO A 51 -35.778 -2.005 -15.745 1.00 0.00 N ATOM 249 CA PRO A 51 -36.280 -2.595 -14.498 1.00 0.00 C ATOM 250 C PRO A 51 -35.528 -3.878 -14.127 1.00 0.00 C ATOM 251 O PRO A 51 -34.986 -3.998 -13.046 1.00 0.00 O ATOM 252 CB PRO A 51 -37.740 -2.915 -14.816 1.00 0.00 C ATOM 253 CG PRO A 51 -37.779 -3.070 -16.298 1.00 0.00 C ATOM 254 CD PRO A 51 -36.750 -2.122 -16.847 1.00 0.00 C ATOM 0 HA PRO A 51 -36.152 -1.924 -13.649 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -38.064 -3.827 -14.314 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -38.402 -2.115 -14.484 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -37.556 -4.097 -16.588 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -38.770 -2.837 -16.688 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -36.286 -2.512 -17.753 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -37.187 -1.157 -17.102 1.00 0.00 H new ATOM 262 N THR A 52 -35.491 -4.837 -15.010 1.00 0.00 N ATOM 263 CA THR A 52 -34.773 -6.105 -14.700 1.00 0.00 C ATOM 264 C THR A 52 -33.341 -5.784 -14.272 1.00 0.00 C ATOM 265 O THR A 52 -32.773 -6.439 -13.421 1.00 0.00 O ATOM 266 CB THR A 52 -34.750 -6.997 -15.944 1.00 0.00 C ATOM 267 OG1 THR A 52 -35.702 -6.520 -16.884 1.00 0.00 O ATOM 268 CG2 THR A 52 -35.094 -8.435 -15.549 1.00 0.00 C ATOM 0 H THR A 52 -35.926 -4.798 -15.932 1.00 0.00 H new ATOM 0 HA THR A 52 -35.286 -6.627 -13.892 1.00 0.00 H new ATOM 0 HB THR A 52 -33.756 -6.974 -16.391 1.00 0.00 H new ATOM 0 HG1 THR A 52 -35.687 -7.089 -17.682 1.00 0.00 H new ATOM 0 HG21 THR A 52 -35.077 -9.070 -16.435 1.00 0.00 H new ATOM 0 HG22 THR A 52 -34.362 -8.799 -14.828 1.00 0.00 H new ATOM 0 HG23 THR A 52 -36.088 -8.462 -15.102 1.00 0.00 H new ATOM 276 N LEU A 53 -32.754 -4.775 -14.853 1.00 0.00 N ATOM 277 CA LEU A 53 -31.360 -4.406 -14.480 1.00 0.00 C ATOM 278 C LEU A 53 -31.360 -3.760 -13.093 1.00 0.00 C ATOM 279 O LEU A 53 -30.603 -4.139 -12.221 1.00 0.00 O ATOM 280 CB LEU A 53 -30.804 -3.414 -15.503 1.00 0.00 C ATOM 281 CG LEU A 53 -29.323 -3.161 -15.215 1.00 0.00 C ATOM 282 CD1 LEU A 53 -28.513 -4.409 -15.572 1.00 0.00 C ATOM 283 CD2 LEU A 53 -28.834 -1.978 -16.054 1.00 0.00 C ATOM 0 H LEU A 53 -33.180 -4.189 -15.571 1.00 0.00 H new ATOM 0 HA LEU A 53 -30.738 -5.301 -14.466 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -30.927 -3.808 -16.512 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -31.360 -2.477 -15.457 1.00 0.00 H new ATOM 0 HG LEU A 53 -29.193 -2.934 -14.157 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -27.458 -4.229 -15.367 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -28.860 -5.252 -14.974 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -28.643 -4.637 -16.630 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -27.779 -1.798 -15.849 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -28.964 -2.204 -17.112 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -29.410 -1.088 -15.799 1.00 0.00 H new ATOM 295 N LEU A 54 -32.206 -2.790 -12.882 1.00 0.00 N ATOM 296 CA LEU A 54 -32.255 -2.121 -11.551 1.00 0.00 C ATOM 297 C LEU A 54 -32.751 -3.118 -10.501 1.00 0.00 C ATOM 298 O LEU A 54 -32.167 -3.260 -9.445 1.00 0.00 O ATOM 299 CB LEU A 54 -33.211 -0.928 -11.614 1.00 0.00 C ATOM 300 CG LEU A 54 -32.602 0.165 -12.494 1.00 0.00 C ATOM 301 CD1 LEU A 54 -33.684 0.746 -13.408 1.00 0.00 C ATOM 302 CD2 LEU A 54 -32.033 1.275 -11.609 1.00 0.00 C ATOM 0 H LEU A 54 -32.865 -2.432 -13.573 1.00 0.00 H new ATOM 0 HA LEU A 54 -31.258 -1.772 -11.281 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -34.174 -1.241 -12.017 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -33.395 -0.542 -10.611 1.00 0.00 H new ATOM 0 HG LEU A 54 -31.803 -0.261 -13.101 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -33.251 1.525 -14.035 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -34.090 -0.044 -14.039 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -34.483 1.172 -12.801 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -31.599 2.054 -12.236 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -32.831 1.701 -11.001 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -31.262 0.862 -10.958 1.00 0.00 H new ATOM 314 N ARG A 55 -33.822 -3.808 -10.781 1.00 0.00 N ATOM 315 CA ARG A 55 -34.350 -4.794 -9.797 1.00 0.00 C ATOM 316 C ARG A 55 -33.222 -5.732 -9.365 1.00 0.00 C ATOM 317 O ARG A 55 -33.112 -6.095 -8.211 1.00 0.00 O ATOM 318 CB ARG A 55 -35.474 -5.609 -10.438 1.00 0.00 C ATOM 319 CG ARG A 55 -36.010 -6.622 -9.424 1.00 0.00 C ATOM 320 CD ARG A 55 -36.980 -7.578 -10.119 1.00 0.00 C ATOM 321 NE ARG A 55 -38.071 -6.796 -10.766 1.00 0.00 N ATOM 322 CZ ARG A 55 -38.851 -7.365 -11.643 1.00 0.00 C ATOM 323 NH1 ARG A 55 -38.649 -7.173 -12.918 1.00 0.00 N ATOM 324 NH2 ARG A 55 -39.834 -8.125 -11.246 1.00 0.00 N ATOM 0 H ARG A 55 -34.354 -3.732 -11.648 1.00 0.00 H new ATOM 0 HA ARG A 55 -34.740 -4.265 -8.927 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -36.276 -4.948 -10.766 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -35.104 -6.126 -11.324 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -35.185 -7.182 -8.983 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -36.515 -6.104 -8.609 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -36.451 -8.171 -10.865 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -37.399 -8.277 -9.395 1.00 0.00 H new ATOM 0 HE ARG A 55 -38.208 -5.815 -10.523 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -37.881 -6.578 -13.229 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -39.259 -7.618 -13.604 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -39.993 -8.274 -10.250 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -40.444 -8.570 -11.932 1.00 0.00 H new ATOM 338 N GLY A 56 -32.380 -6.127 -10.281 1.00 0.00 N ATOM 339 CA GLY A 56 -31.259 -7.039 -9.917 1.00 0.00 C ATOM 340 C GLY A 56 -30.223 -6.270 -9.096 1.00 0.00 C ATOM 341 O GLY A 56 -29.556 -6.822 -8.245 1.00 0.00 O ATOM 0 H GLY A 56 -32.420 -5.858 -11.264 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -31.636 -7.886 -9.344 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -30.798 -7.443 -10.818 1.00 0.00 H new ATOM 345 N ALA A 57 -30.084 -4.996 -9.345 1.00 0.00 N ATOM 346 CA ALA A 57 -29.092 -4.189 -8.580 1.00 0.00 C ATOM 347 C ALA A 57 -29.680 -3.813 -7.218 1.00 0.00 C ATOM 348 O ALA A 57 -28.968 -3.454 -6.303 1.00 0.00 O ATOM 349 CB ALA A 57 -28.757 -2.917 -9.361 1.00 0.00 C ATOM 0 H ALA A 57 -30.615 -4.479 -10.046 1.00 0.00 H new ATOM 0 HA ALA A 57 -28.184 -4.774 -8.434 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -28.031 -2.327 -8.801 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -28.336 -3.185 -10.330 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -29.664 -2.331 -9.509 1.00 0.00 H new ATOM 355 N PHE A 58 -30.975 -3.890 -7.077 1.00 0.00 N ATOM 356 CA PHE A 58 -31.609 -3.536 -5.774 1.00 0.00 C ATOM 357 C PHE A 58 -32.343 -4.758 -5.213 1.00 0.00 C ATOM 358 O PHE A 58 -32.922 -4.710 -4.146 1.00 0.00 O ATOM 359 CB PHE A 58 -32.611 -2.400 -5.991 1.00 0.00 C ATOM 360 CG PHE A 58 -31.870 -1.112 -6.262 1.00 0.00 C ATOM 361 CD1 PHE A 58 -31.338 -0.864 -7.533 1.00 0.00 C ATOM 362 CD2 PHE A 58 -31.722 -0.162 -5.243 1.00 0.00 C ATOM 363 CE1 PHE A 58 -30.655 0.332 -7.785 1.00 0.00 C ATOM 364 CE2 PHE A 58 -31.040 1.035 -5.496 1.00 0.00 C ATOM 365 CZ PHE A 58 -30.506 1.281 -6.767 1.00 0.00 C ATOM 0 H PHE A 58 -31.623 -4.183 -7.808 1.00 0.00 H new ATOM 0 HA PHE A 58 -30.840 -3.219 -5.070 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -33.267 -2.636 -6.829 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -33.245 -2.288 -5.111 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -31.454 -1.595 -8.319 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -32.134 -0.353 -4.263 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -30.243 0.522 -8.765 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -30.926 1.768 -4.711 1.00 0.00 H new ATOM 0 HZ PHE A 58 -29.979 2.203 -6.962 1.00 0.00 H new ATOM 375 N SER A 59 -32.330 -5.849 -5.927 1.00 0.00 N ATOM 376 CA SER A 59 -33.030 -7.073 -5.446 1.00 0.00 C ATOM 377 C SER A 59 -32.300 -7.666 -4.235 1.00 0.00 C ATOM 378 O SER A 59 -32.900 -7.917 -3.208 1.00 0.00 O ATOM 379 CB SER A 59 -33.069 -8.109 -6.571 1.00 0.00 C ATOM 380 OG SER A 59 -34.332 -8.060 -7.218 1.00 0.00 O ATOM 0 H SER A 59 -31.862 -5.946 -6.828 1.00 0.00 H new ATOM 0 HA SER A 59 -34.045 -6.806 -5.150 1.00 0.00 H new ATOM 0 HB2 SER A 59 -32.273 -7.912 -7.289 1.00 0.00 H new ATOM 0 HB3 SER A 59 -32.894 -9.106 -6.167 1.00 0.00 H new ATOM 0 HG SER A 59 -34.417 -8.822 -7.828 1.00 0.00 H new ATOM 386 N PRO A 60 -30.983 -7.909 -4.359 1.00 0.00 N ATOM 387 CA PRO A 60 -30.184 -8.491 -3.270 1.00 0.00 C ATOM 388 C PRO A 60 -30.032 -7.535 -2.082 1.00 0.00 C ATOM 389 O PRO A 60 -29.771 -7.952 -0.971 1.00 0.00 O ATOM 390 CB PRO A 60 -28.823 -8.742 -3.919 1.00 0.00 C ATOM 391 CG PRO A 60 -28.762 -7.773 -5.049 1.00 0.00 C ATOM 392 CD PRO A 60 -30.168 -7.638 -5.558 1.00 0.00 C ATOM 0 HA PRO A 60 -30.652 -9.387 -2.862 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -28.010 -8.578 -3.212 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -28.736 -9.769 -4.272 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -28.374 -6.810 -4.716 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -28.096 -8.131 -5.834 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -30.358 -6.642 -5.959 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -30.378 -8.349 -6.357 1.00 0.00 H new ATOM 400 N PHE A 61 -30.189 -6.260 -2.302 1.00 0.00 N ATOM 401 CA PHE A 61 -30.050 -5.291 -1.179 1.00 0.00 C ATOM 402 C PHE A 61 -31.275 -5.381 -0.265 1.00 0.00 C ATOM 403 O PHE A 61 -31.243 -4.959 0.874 1.00 0.00 O ATOM 404 CB PHE A 61 -29.934 -3.873 -1.738 1.00 0.00 C ATOM 405 CG PHE A 61 -28.535 -3.652 -2.258 1.00 0.00 C ATOM 406 CD1 PHE A 61 -27.503 -3.310 -1.374 1.00 0.00 C ATOM 407 CD2 PHE A 61 -28.269 -3.792 -3.624 1.00 0.00 C ATOM 408 CE1 PHE A 61 -26.205 -3.109 -1.860 1.00 0.00 C ATOM 409 CE2 PHE A 61 -26.972 -3.589 -4.109 1.00 0.00 C ATOM 410 CZ PHE A 61 -25.940 -3.248 -3.227 1.00 0.00 C ATOM 0 H PHE A 61 -30.407 -5.847 -3.209 1.00 0.00 H new ATOM 0 HA PHE A 61 -29.154 -5.530 -0.606 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -30.659 -3.725 -2.539 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -30.164 -3.144 -0.961 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -27.708 -3.202 -0.319 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -29.065 -4.057 -4.305 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -25.408 -2.847 -1.180 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -26.767 -3.695 -5.164 1.00 0.00 H new ATOM 0 HZ PHE A 61 -24.939 -3.092 -3.602 1.00 0.00 H new ATOM 420 N GLY A 62 -32.355 -5.929 -0.753 1.00 0.00 N ATOM 421 CA GLY A 62 -33.577 -6.044 0.093 1.00 0.00 C ATOM 422 C GLY A 62 -34.811 -6.171 -0.805 1.00 0.00 C ATOM 423 O GLY A 62 -34.721 -6.095 -2.014 1.00 0.00 O ATOM 0 H GLY A 62 -32.444 -6.301 -1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -33.499 -6.913 0.747 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -33.671 -5.169 0.736 1.00 0.00 H new ATOM 427 N ASN A 63 -35.962 -6.363 -0.221 1.00 0.00 N ATOM 428 CA ASN A 63 -37.201 -6.495 -1.039 1.00 0.00 C ATOM 429 C ASN A 63 -37.802 -5.109 -1.283 1.00 0.00 C ATOM 430 O ASN A 63 -37.840 -4.275 -0.400 1.00 0.00 O ATOM 431 CB ASN A 63 -38.214 -7.366 -0.296 1.00 0.00 C ATOM 432 CG ASN A 63 -37.599 -8.738 -0.016 1.00 0.00 C ATOM 433 OD1 ASN A 63 -36.881 -9.274 -0.837 1.00 0.00 O ATOM 434 ND2 ASN A 63 -37.849 -9.333 1.119 1.00 0.00 N ATOM 0 H ASN A 63 -36.098 -6.434 0.787 1.00 0.00 H new ATOM 0 HA ASN A 63 -36.956 -6.958 -1.995 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -38.504 -6.888 0.640 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -39.120 -7.477 -0.891 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -37.442 -10.247 1.316 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -38.452 -8.884 1.809 1.00 0.00 H new ATOM 441 N ILE A 64 -38.273 -4.858 -2.473 1.00 0.00 N ATOM 442 CA ILE A 64 -38.872 -3.526 -2.772 1.00 0.00 C ATOM 443 C ILE A 64 -40.397 -3.639 -2.767 1.00 0.00 C ATOM 444 O ILE A 64 -40.970 -4.470 -3.445 1.00 0.00 O ATOM 445 CB ILE A 64 -38.400 -3.052 -4.148 1.00 0.00 C ATOM 446 CG1 ILE A 64 -36.870 -3.032 -4.185 1.00 0.00 C ATOM 447 CG2 ILE A 64 -38.936 -1.643 -4.412 1.00 0.00 C ATOM 448 CD1 ILE A 64 -36.397 -2.915 -5.635 1.00 0.00 C ATOM 0 H ILE A 64 -38.269 -5.517 -3.251 1.00 0.00 H new ATOM 0 HA ILE A 64 -38.559 -2.809 -2.013 1.00 0.00 H new ATOM 0 HB ILE A 64 -38.772 -3.732 -4.914 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -36.492 -2.194 -3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -36.473 -3.941 -3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -38.601 -1.304 -5.392 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -40.026 -1.657 -4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -38.564 -0.963 -3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -35.307 -2.901 -5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -36.763 -3.768 -6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -36.783 -1.993 -6.070 1.00 0.00 H new ATOM 460 N ILE A 65 -41.061 -2.810 -2.009 1.00 0.00 N ATOM 461 CA ILE A 65 -42.549 -2.870 -1.963 1.00 0.00 C ATOM 462 C ILE A 65 -43.130 -1.847 -2.941 1.00 0.00 C ATOM 463 O ILE A 65 -44.293 -1.900 -3.292 1.00 0.00 O ATOM 464 CB ILE A 65 -43.030 -2.552 -0.547 1.00 0.00 C ATOM 465 CG1 ILE A 65 -42.803 -1.069 -0.250 1.00 0.00 C ATOM 466 CG2 ILE A 65 -42.247 -3.398 0.459 1.00 0.00 C ATOM 467 CD1 ILE A 65 -43.465 -0.708 1.082 1.00 0.00 C ATOM 0 H ILE A 65 -40.637 -2.094 -1.419 1.00 0.00 H new ATOM 0 HA ILE A 65 -42.881 -3.870 -2.242 1.00 0.00 H new ATOM 0 HB ILE A 65 -44.093 -2.780 -0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -41.735 -0.855 -0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -43.218 -0.459 -1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -42.589 -3.172 1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -42.409 -4.455 0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -41.184 -3.170 0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -43.303 0.349 1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -44.535 -0.907 1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -43.029 -1.309 1.880 1.00 0.00 H new ATOM 479 N ASP A 66 -42.332 -0.914 -3.383 1.00 0.00 N ATOM 480 CA ASP A 66 -42.838 0.111 -4.337 1.00 0.00 C ATOM 481 C ASP A 66 -41.709 0.532 -5.280 1.00 0.00 C ATOM 482 O ASP A 66 -40.877 1.350 -4.940 1.00 0.00 O ATOM 483 CB ASP A 66 -43.335 1.330 -3.559 1.00 0.00 C ATOM 484 CG ASP A 66 -43.970 2.331 -4.527 1.00 0.00 C ATOM 485 OD1 ASP A 66 -45.136 2.159 -4.846 1.00 0.00 O ATOM 486 OD2 ASP A 66 -43.281 3.252 -4.933 1.00 0.00 O ATOM 0 H ASP A 66 -41.350 -0.818 -3.124 1.00 0.00 H new ATOM 0 HA ASP A 66 -43.659 -0.308 -4.919 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -44.063 1.023 -2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -42.506 1.798 -3.028 1.00 0.00 H new ATOM 491 N LEU A 67 -41.673 -0.017 -6.464 1.00 0.00 N ATOM 492 CA LEU A 67 -40.597 0.354 -7.426 1.00 0.00 C ATOM 493 C LEU A 67 -41.193 1.191 -8.559 1.00 0.00 C ATOM 494 O LEU A 67 -42.137 0.790 -9.210 1.00 0.00 O ATOM 495 CB LEU A 67 -39.969 -0.916 -8.004 1.00 0.00 C ATOM 496 CG LEU A 67 -38.757 -0.542 -8.859 1.00 0.00 C ATOM 497 CD1 LEU A 67 -37.558 -1.398 -8.445 1.00 0.00 C ATOM 498 CD2 LEU A 67 -39.076 -0.790 -10.334 1.00 0.00 C ATOM 0 H LEU A 67 -42.342 -0.706 -6.806 1.00 0.00 H new ATOM 0 HA LEU A 67 -39.832 0.934 -6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -39.666 -1.584 -7.198 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -40.700 -1.454 -8.607 1.00 0.00 H new ATOM 0 HG LEU A 67 -38.520 0.512 -8.712 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -36.694 -1.132 -9.054 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -37.330 -1.221 -7.394 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -37.795 -2.452 -8.592 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -38.212 -0.523 -10.943 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -39.314 -1.843 -10.483 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -39.930 -0.180 -10.629 1.00 0.00 H new ATOM 510 N SER A 68 -40.650 2.353 -8.800 1.00 0.00 N ATOM 511 CA SER A 68 -41.187 3.215 -9.890 1.00 0.00 C ATOM 512 C SER A 68 -40.061 3.577 -10.860 1.00 0.00 C ATOM 513 O SER A 68 -38.906 3.646 -10.487 1.00 0.00 O ATOM 514 CB SER A 68 -41.771 4.495 -9.287 1.00 0.00 C ATOM 515 OG SER A 68 -42.779 4.158 -8.347 1.00 0.00 O ATOM 0 H SER A 68 -39.858 2.742 -8.289 1.00 0.00 H new ATOM 0 HA SER A 68 -41.968 2.675 -10.426 1.00 0.00 H new ATOM 0 HB2 SER A 68 -40.984 5.073 -8.801 1.00 0.00 H new ATOM 0 HB3 SER A 68 -42.188 5.123 -10.074 1.00 0.00 H new ATOM 0 HG SER A 68 -43.152 4.977 -7.959 1.00 0.00 H new ATOM 521 N MET A 69 -40.387 3.808 -12.103 1.00 0.00 N ATOM 522 CA MET A 69 -39.335 4.167 -13.095 1.00 0.00 C ATOM 523 C MET A 69 -39.703 5.488 -13.773 1.00 0.00 C ATOM 524 O MET A 69 -40.863 5.810 -13.937 1.00 0.00 O ATOM 525 CB MET A 69 -39.233 3.063 -14.152 1.00 0.00 C ATOM 526 CG MET A 69 -38.702 1.784 -13.502 1.00 0.00 C ATOM 527 SD MET A 69 -38.309 0.573 -14.789 1.00 0.00 S ATOM 528 CE MET A 69 -36.806 1.374 -15.401 1.00 0.00 C ATOM 0 H MET A 69 -41.336 3.763 -12.474 1.00 0.00 H new ATOM 0 HA MET A 69 -38.377 4.274 -12.586 1.00 0.00 H new ATOM 0 HB2 MET A 69 -40.211 2.879 -14.597 1.00 0.00 H new ATOM 0 HB3 MET A 69 -38.570 3.377 -14.958 1.00 0.00 H new ATOM 0 HG2 MET A 69 -37.813 2.005 -12.912 1.00 0.00 H new ATOM 0 HG3 MET A 69 -39.445 1.375 -12.818 1.00 0.00 H new ATOM 0 HE1 MET A 69 -36.873 1.495 -16.482 1.00 0.00 H new ATOM 0 HE2 MET A 69 -36.698 2.352 -14.932 1.00 0.00 H new ATOM 0 HE3 MET A 69 -35.940 0.758 -15.158 1.00 0.00 H new ATOM 538 N ASP A 70 -38.724 6.257 -14.167 1.00 0.00 N ATOM 539 CA ASP A 70 -39.021 7.556 -14.833 1.00 0.00 C ATOM 540 C ASP A 70 -38.274 7.630 -16.166 1.00 0.00 C ATOM 541 O ASP A 70 -37.142 8.066 -16.230 1.00 0.00 O ATOM 542 CB ASP A 70 -38.567 8.706 -13.930 1.00 0.00 C ATOM 543 CG ASP A 70 -38.790 8.324 -12.466 1.00 0.00 C ATOM 544 OD1 ASP A 70 -39.939 8.172 -12.083 1.00 0.00 O ATOM 545 OD2 ASP A 70 -37.810 8.192 -11.753 1.00 0.00 O ATOM 0 H ASP A 70 -37.733 6.042 -14.056 1.00 0.00 H new ATOM 0 HA ASP A 70 -40.093 7.635 -15.013 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -37.513 8.924 -14.103 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -39.124 9.612 -14.169 1.00 0.00 H new ATOM 550 N PRO A 71 -38.929 7.194 -17.253 1.00 0.00 N ATOM 551 CA PRO A 71 -38.333 7.209 -18.589 1.00 0.00 C ATOM 552 C PRO A 71 -38.259 8.616 -19.217 1.00 0.00 C ATOM 553 O PRO A 71 -37.393 8.873 -20.030 1.00 0.00 O ATOM 554 CB PRO A 71 -39.256 6.309 -19.408 1.00 0.00 C ATOM 555 CG PRO A 71 -40.574 6.350 -18.709 1.00 0.00 C ATOM 556 CD PRO A 71 -40.300 6.648 -17.256 1.00 0.00 C ATOM 0 HA PRO A 71 -37.297 6.873 -18.557 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -39.344 6.667 -20.434 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -38.869 5.291 -19.458 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -41.216 7.116 -19.144 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -41.095 5.399 -18.815 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -41.016 7.365 -16.854 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -40.372 5.749 -16.644 1.00 0.00 H new ATOM 564 N PRO A 72 -39.167 9.552 -18.856 1.00 0.00 N ATOM 565 CA PRO A 72 -39.143 10.904 -19.426 1.00 0.00 C ATOM 566 C PRO A 72 -38.021 11.754 -18.825 1.00 0.00 C ATOM 567 O PRO A 72 -37.557 12.702 -19.425 1.00 0.00 O ATOM 568 CB PRO A 72 -40.498 11.488 -19.039 1.00 0.00 C ATOM 569 CG PRO A 72 -40.903 10.744 -17.812 1.00 0.00 C ATOM 570 CD PRO A 72 -40.270 9.381 -17.888 1.00 0.00 C ATOM 0 HA PRO A 72 -38.965 10.886 -20.501 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -40.426 12.558 -18.846 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -41.227 11.357 -19.839 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -40.574 11.271 -16.916 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -41.988 10.661 -17.753 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -39.900 9.058 -16.915 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -40.983 8.628 -18.224 1.00 0.00 H new ATOM 578 N ARG A 73 -37.582 11.422 -17.642 1.00 0.00 N ATOM 579 CA ARG A 73 -36.493 12.211 -17.002 1.00 0.00 C ATOM 580 C ARG A 73 -35.258 11.327 -16.811 1.00 0.00 C ATOM 581 O ARG A 73 -34.246 11.761 -16.298 1.00 0.00 O ATOM 582 CB ARG A 73 -36.969 12.723 -15.641 1.00 0.00 C ATOM 583 CG ARG A 73 -38.137 13.691 -15.840 1.00 0.00 C ATOM 584 CD ARG A 73 -38.516 14.317 -14.497 1.00 0.00 C ATOM 585 NE ARG A 73 -39.765 15.114 -14.656 1.00 0.00 N ATOM 586 CZ ARG A 73 -40.928 14.531 -14.557 1.00 0.00 C ATOM 587 NH1 ARG A 73 -41.165 13.709 -13.571 1.00 0.00 N ATOM 588 NH2 ARG A 73 -41.855 14.770 -15.444 1.00 0.00 N ATOM 0 H ARG A 73 -37.931 10.638 -17.091 1.00 0.00 H new ATOM 0 HA ARG A 73 -36.236 13.056 -17.641 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -37.279 11.887 -15.014 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -36.151 13.224 -15.123 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -37.861 14.470 -16.551 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -38.993 13.163 -16.262 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -38.662 13.538 -13.749 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -37.708 14.955 -14.140 1.00 0.00 H new ATOM 0 HE ARG A 73 -39.711 16.115 -14.842 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -40.441 13.522 -12.877 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -42.074 13.254 -13.494 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -41.670 15.412 -16.214 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -42.764 14.314 -15.367 1.00 0.00 H new ATOM 602 N ASN A 74 -35.331 10.090 -17.220 1.00 0.00 N ATOM 603 CA ASN A 74 -34.159 9.183 -17.061 1.00 0.00 C ATOM 604 C ASN A 74 -33.864 8.988 -15.572 1.00 0.00 C ATOM 605 O ASN A 74 -32.724 8.993 -15.150 1.00 0.00 O ATOM 606 CB ASN A 74 -32.940 9.802 -17.746 1.00 0.00 C ATOM 607 CG ASN A 74 -33.273 10.103 -19.208 1.00 0.00 C ATOM 608 OD1 ASN A 74 -32.915 11.144 -19.724 1.00 0.00 O ATOM 609 ND2 ASN A 74 -33.950 9.230 -19.903 1.00 0.00 N ATOM 0 H ASN A 74 -36.151 9.668 -17.657 1.00 0.00 H new ATOM 0 HA ASN A 74 -34.381 8.218 -17.517 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -32.648 10.718 -17.233 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -32.092 9.120 -17.688 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -34.178 9.421 -20.879 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -34.251 8.356 -19.471 1.00 0.00 H new ATOM 616 N CYS A 75 -34.881 8.817 -14.772 1.00 0.00 N ATOM 617 CA CYS A 75 -34.656 8.622 -13.312 1.00 0.00 C ATOM 618 C CYS A 75 -35.523 7.465 -12.813 1.00 0.00 C ATOM 619 O CYS A 75 -36.510 7.107 -13.427 1.00 0.00 O ATOM 620 CB CYS A 75 -35.030 9.902 -12.563 1.00 0.00 C ATOM 621 SG CYS A 75 -34.455 11.340 -13.501 1.00 0.00 S ATOM 0 H CYS A 75 -35.857 8.804 -15.066 1.00 0.00 H new ATOM 0 HA CYS A 75 -33.606 8.391 -13.133 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -36.110 9.953 -12.425 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -34.581 9.899 -11.570 1.00 0.00 H new ATOM 0 HG CYS A 75 -33.186 11.215 -13.752 1.00 0.00 H new ATOM 627 N ALA A 76 -35.166 6.877 -11.704 1.00 0.00 N ATOM 628 CA ALA A 76 -35.972 5.744 -11.168 1.00 0.00 C ATOM 629 C ALA A 76 -36.061 5.856 -9.644 1.00 0.00 C ATOM 630 O ALA A 76 -35.221 6.458 -9.007 1.00 0.00 O ATOM 631 CB ALA A 76 -35.304 4.420 -11.546 1.00 0.00 C ATOM 0 H ALA A 76 -34.351 7.132 -11.146 1.00 0.00 H new ATOM 0 HA ALA A 76 -36.975 5.779 -11.593 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -35.893 3.591 -11.154 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -35.242 4.340 -12.631 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -34.301 4.385 -11.122 1.00 0.00 H new ATOM 637 N PHE A 77 -37.074 5.279 -9.057 1.00 0.00 N ATOM 638 CA PHE A 77 -37.216 5.351 -7.576 1.00 0.00 C ATOM 639 C PHE A 77 -37.219 3.935 -6.996 1.00 0.00 C ATOM 640 O PHE A 77 -37.855 3.043 -7.520 1.00 0.00 O ATOM 641 CB PHE A 77 -38.531 6.050 -7.223 1.00 0.00 C ATOM 642 CG PHE A 77 -38.491 7.475 -7.719 1.00 0.00 C ATOM 643 CD1 PHE A 77 -37.958 8.484 -6.907 1.00 0.00 C ATOM 644 CD2 PHE A 77 -38.986 7.789 -8.991 1.00 0.00 C ATOM 645 CE1 PHE A 77 -37.920 9.806 -7.366 1.00 0.00 C ATOM 646 CE2 PHE A 77 -38.948 9.110 -9.450 1.00 0.00 C ATOM 647 CZ PHE A 77 -38.416 10.119 -8.637 1.00 0.00 C ATOM 0 H PHE A 77 -37.809 4.761 -9.539 1.00 0.00 H new ATOM 0 HA PHE A 77 -36.382 5.914 -7.157 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -39.370 5.520 -7.674 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -38.686 6.033 -6.144 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -37.576 8.242 -5.926 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -39.397 7.011 -9.618 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -37.508 10.584 -6.740 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -39.329 9.352 -10.431 1.00 0.00 H new ATOM 0 HZ PHE A 77 -38.388 11.139 -8.991 1.00 0.00 H new ATOM 657 N VAL A 78 -36.511 3.722 -5.921 1.00 0.00 N ATOM 658 CA VAL A 78 -36.474 2.363 -5.313 1.00 0.00 C ATOM 659 C VAL A 78 -36.970 2.434 -3.867 1.00 0.00 C ATOM 660 O VAL A 78 -36.465 3.194 -3.065 1.00 0.00 O ATOM 661 CB VAL A 78 -35.039 1.835 -5.334 1.00 0.00 C ATOM 662 CG1 VAL A 78 -35.025 0.375 -4.877 1.00 0.00 C ATOM 663 CG2 VAL A 78 -34.481 1.930 -6.755 1.00 0.00 C ATOM 0 H VAL A 78 -35.957 4.430 -5.438 1.00 0.00 H new ATOM 0 HA VAL A 78 -37.117 1.693 -5.884 1.00 0.00 H new ATOM 0 HB VAL A 78 -34.423 2.432 -4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -34.002 -0.001 -4.892 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -35.422 0.307 -3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -35.641 -0.222 -5.549 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -33.458 1.554 -6.770 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -35.097 1.334 -7.428 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -34.490 2.970 -7.081 1.00 0.00 H new ATOM 673 N THR A 79 -37.955 1.647 -3.529 1.00 0.00 N ATOM 674 CA THR A 79 -38.480 1.669 -2.135 1.00 0.00 C ATOM 675 C THR A 79 -38.089 0.370 -1.427 1.00 0.00 C ATOM 676 O THR A 79 -38.150 -0.701 -1.997 1.00 0.00 O ATOM 677 CB THR A 79 -40.005 1.796 -2.166 1.00 0.00 C ATOM 678 OG1 THR A 79 -40.370 2.903 -2.978 1.00 0.00 O ATOM 679 CG2 THR A 79 -40.529 2.009 -0.745 1.00 0.00 C ATOM 0 H THR A 79 -38.418 0.991 -4.158 1.00 0.00 H new ATOM 0 HA THR A 79 -38.057 2.518 -1.598 1.00 0.00 H new ATOM 0 HB THR A 79 -40.438 0.884 -2.578 1.00 0.00 H new ATOM 0 HG1 THR A 79 -40.723 2.579 -3.833 1.00 0.00 H new ATOM 0 HG21 THR A 79 -41.615 2.099 -0.767 1.00 0.00 H new ATOM 0 HG22 THR A 79 -40.248 1.159 -0.123 1.00 0.00 H new ATOM 0 HG23 THR A 79 -40.098 2.920 -0.331 1.00 0.00 H new ATOM 687 N TYR A 80 -37.685 0.455 -0.189 1.00 0.00 N ATOM 688 CA TYR A 80 -37.288 -0.776 0.551 1.00 0.00 C ATOM 689 C TYR A 80 -38.180 -0.944 1.782 1.00 0.00 C ATOM 690 O TYR A 80 -38.482 0.008 2.476 1.00 0.00 O ATOM 691 CB TYR A 80 -35.830 -0.656 0.998 1.00 0.00 C ATOM 692 CG TYR A 80 -34.917 -1.120 -0.112 1.00 0.00 C ATOM 693 CD1 TYR A 80 -35.204 -2.300 -0.810 1.00 0.00 C ATOM 694 CD2 TYR A 80 -33.782 -0.370 -0.442 1.00 0.00 C ATOM 695 CE1 TYR A 80 -34.355 -2.729 -1.837 1.00 0.00 C ATOM 696 CE2 TYR A 80 -32.934 -0.799 -1.470 1.00 0.00 C ATOM 697 CZ TYR A 80 -33.220 -1.978 -2.167 1.00 0.00 C ATOM 698 OH TYR A 80 -32.383 -2.401 -3.180 1.00 0.00 O ATOM 0 H TYR A 80 -37.613 1.323 0.342 1.00 0.00 H new ATOM 0 HA TYR A 80 -37.401 -1.641 -0.103 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -35.604 0.378 1.260 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -35.664 -1.255 1.893 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -36.080 -2.879 -0.556 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -33.561 0.540 0.096 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -34.575 -3.639 -2.375 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -32.059 -0.220 -1.725 1.00 0.00 H new ATOM 0 HH TYR A 80 -32.476 -3.369 -3.298 1.00 0.00 H new ATOM 708 N GLU A 81 -38.599 -2.146 2.065 1.00 0.00 N ATOM 709 CA GLU A 81 -39.464 -2.371 3.256 1.00 0.00 C ATOM 710 C GLU A 81 -38.660 -2.078 4.522 1.00 0.00 C ATOM 711 O GLU A 81 -39.209 -1.766 5.561 1.00 0.00 O ATOM 712 CB GLU A 81 -39.938 -3.826 3.276 1.00 0.00 C ATOM 713 CG GLU A 81 -40.985 -4.006 4.377 1.00 0.00 C ATOM 714 CD GLU A 81 -41.394 -5.478 4.457 1.00 0.00 C ATOM 715 OE1 GLU A 81 -40.882 -6.259 3.671 1.00 0.00 O ATOM 716 OE2 GLU A 81 -42.213 -5.799 5.303 1.00 0.00 O ATOM 0 H GLU A 81 -38.380 -2.982 1.523 1.00 0.00 H new ATOM 0 HA GLU A 81 -40.330 -1.711 3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -40.362 -4.095 2.309 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -39.093 -4.493 3.450 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -40.581 -3.677 5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -41.857 -3.386 4.169 1.00 0.00 H new ATOM 723 N LYS A 82 -37.361 -2.174 4.442 1.00 0.00 N ATOM 724 CA LYS A 82 -36.516 -1.898 5.639 1.00 0.00 C ATOM 725 C LYS A 82 -35.566 -0.739 5.331 1.00 0.00 C ATOM 726 O LYS A 82 -34.984 -0.667 4.267 1.00 0.00 O ATOM 727 CB LYS A 82 -35.702 -3.147 5.986 1.00 0.00 C ATOM 728 CG LYS A 82 -36.651 -4.295 6.333 1.00 0.00 C ATOM 729 CD LYS A 82 -35.836 -5.528 6.730 1.00 0.00 C ATOM 730 CE LYS A 82 -36.776 -6.716 6.940 1.00 0.00 C ATOM 731 NZ LYS A 82 -36.842 -7.046 8.391 1.00 0.00 N ATOM 0 H LYS A 82 -36.848 -2.432 3.599 1.00 0.00 H new ATOM 0 HA LYS A 82 -37.152 -1.633 6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -35.069 -3.427 5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -35.041 -2.941 6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -37.309 -4.002 7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -37.287 -4.526 5.479 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -35.107 -5.760 5.954 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -35.276 -5.328 7.644 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -37.771 -6.477 6.565 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -36.421 -7.578 6.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -37.481 -7.854 8.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -35.892 -7.291 8.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -37.200 -6.224 8.918 1.00 0.00 H new ATOM 745 N MET A 83 -35.404 0.170 6.253 1.00 0.00 N ATOM 746 CA MET A 83 -34.492 1.322 6.010 1.00 0.00 C ATOM 747 C MET A 83 -33.054 0.817 5.875 1.00 0.00 C ATOM 748 O MET A 83 -32.227 1.434 5.231 1.00 0.00 O ATOM 749 CB MET A 83 -34.582 2.298 7.186 1.00 0.00 C ATOM 750 CG MET A 83 -36.011 2.837 7.292 1.00 0.00 C ATOM 751 SD MET A 83 -36.090 4.077 8.609 1.00 0.00 S ATOM 752 CE MET A 83 -35.694 2.973 9.985 1.00 0.00 C ATOM 0 H MET A 83 -35.864 0.164 7.164 1.00 0.00 H new ATOM 0 HA MET A 83 -34.785 1.830 5.091 1.00 0.00 H new ATOM 0 HB2 MET A 83 -34.302 1.796 8.112 1.00 0.00 H new ATOM 0 HB3 MET A 83 -33.881 3.121 7.045 1.00 0.00 H new ATOM 0 HG2 MET A 83 -36.316 3.278 6.343 1.00 0.00 H new ATOM 0 HG3 MET A 83 -36.704 2.022 7.502 1.00 0.00 H new ATOM 0 HE1 MET A 83 -36.248 3.283 10.871 1.00 0.00 H new ATOM 0 HE2 MET A 83 -35.970 1.952 9.723 1.00 0.00 H new ATOM 0 HE3 MET A 83 -34.625 3.018 10.192 1.00 0.00 H new ATOM 762 N GLU A 84 -32.749 -0.301 6.474 1.00 0.00 N ATOM 763 CA GLU A 84 -31.364 -0.844 6.378 1.00 0.00 C ATOM 764 C GLU A 84 -31.092 -1.298 4.942 1.00 0.00 C ATOM 765 O GLU A 84 -29.963 -1.338 4.497 1.00 0.00 O ATOM 766 CB GLU A 84 -31.218 -2.036 7.327 1.00 0.00 C ATOM 767 CG GLU A 84 -31.345 -1.555 8.774 1.00 0.00 C ATOM 768 CD GLU A 84 -30.304 -0.466 9.041 1.00 0.00 C ATOM 769 OE1 GLU A 84 -29.353 -0.383 8.283 1.00 0.00 O ATOM 770 OE2 GLU A 84 -30.476 0.267 10.002 1.00 0.00 O ATOM 0 H GLU A 84 -33.398 -0.862 7.026 1.00 0.00 H new ATOM 0 HA GLU A 84 -30.649 -0.069 6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -31.984 -2.782 7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -30.252 -2.518 7.176 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -32.348 -1.167 8.953 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -31.199 -2.389 9.460 1.00 0.00 H new ATOM 777 N SER A 85 -32.119 -1.639 4.213 1.00 0.00 N ATOM 778 CA SER A 85 -31.919 -2.090 2.807 1.00 0.00 C ATOM 779 C SER A 85 -31.573 -0.884 1.930 1.00 0.00 C ATOM 780 O SER A 85 -30.893 -1.007 0.930 1.00 0.00 O ATOM 781 CB SER A 85 -33.203 -2.742 2.291 1.00 0.00 C ATOM 782 OG SER A 85 -33.594 -3.780 3.177 1.00 0.00 O ATOM 0 H SER A 85 -33.088 -1.625 4.530 1.00 0.00 H new ATOM 0 HA SER A 85 -31.105 -2.814 2.771 1.00 0.00 H new ATOM 0 HB2 SER A 85 -33.996 -1.998 2.213 1.00 0.00 H new ATOM 0 HB3 SER A 85 -33.043 -3.144 1.290 1.00 0.00 H new ATOM 0 HG SER A 85 -34.418 -4.198 2.849 1.00 0.00 H new ATOM 788 N ALA A 86 -32.034 0.280 2.297 1.00 0.00 N ATOM 789 CA ALA A 86 -31.731 1.491 1.484 1.00 0.00 C ATOM 790 C ALA A 86 -30.314 1.974 1.798 1.00 0.00 C ATOM 791 O ALA A 86 -29.602 2.443 0.932 1.00 0.00 O ATOM 792 CB ALA A 86 -32.733 2.597 1.824 1.00 0.00 C ATOM 0 H ALA A 86 -32.607 0.445 3.124 1.00 0.00 H new ATOM 0 HA ALA A 86 -31.805 1.246 0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -32.512 3.484 1.230 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -33.743 2.254 1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -32.658 2.843 2.883 1.00 0.00 H new ATOM 798 N ASP A 87 -29.897 1.863 3.030 1.00 0.00 N ATOM 799 CA ASP A 87 -28.526 2.317 3.397 1.00 0.00 C ATOM 800 C ASP A 87 -27.492 1.377 2.775 1.00 0.00 C ATOM 801 O ASP A 87 -26.432 1.796 2.352 1.00 0.00 O ATOM 802 CB ASP A 87 -28.375 2.305 4.919 1.00 0.00 C ATOM 803 CG ASP A 87 -29.324 3.334 5.534 1.00 0.00 C ATOM 804 OD1 ASP A 87 -29.843 4.152 4.790 1.00 0.00 O ATOM 805 OD2 ASP A 87 -29.518 3.288 6.737 1.00 0.00 O ATOM 0 H ASP A 87 -30.447 1.478 3.798 1.00 0.00 H new ATOM 0 HA ASP A 87 -28.367 3.329 3.024 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -28.596 1.312 5.309 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -27.346 2.534 5.195 1.00 0.00 H new ATOM 810 N GLN A 88 -27.791 0.110 2.717 1.00 0.00 N ATOM 811 CA GLN A 88 -26.827 -0.859 2.124 1.00 0.00 C ATOM 812 C GLN A 88 -26.757 -0.651 0.611 1.00 0.00 C ATOM 813 O GLN A 88 -25.699 -0.682 0.015 1.00 0.00 O ATOM 814 CB GLN A 88 -27.288 -2.286 2.423 1.00 0.00 C ATOM 815 CG GLN A 88 -26.232 -3.279 1.933 1.00 0.00 C ATOM 816 CD GLN A 88 -26.785 -4.702 2.033 1.00 0.00 C ATOM 817 OE1 GLN A 88 -27.791 -5.019 1.432 1.00 0.00 O ATOM 818 NE2 GLN A 88 -26.164 -5.580 2.773 1.00 0.00 N ATOM 0 H GLN A 88 -28.663 -0.298 3.055 1.00 0.00 H new ATOM 0 HA GLN A 88 -25.840 -0.698 2.557 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -27.449 -2.410 3.494 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -28.241 -2.482 1.932 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -25.958 -3.056 0.902 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -25.325 -3.187 2.531 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -25.319 -5.314 3.278 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -26.524 -6.532 2.846 1.00 0.00 H new ATOM 827 N ALA A 89 -27.880 -0.438 -0.015 1.00 0.00 N ATOM 828 CA ALA A 89 -27.883 -0.226 -1.490 1.00 0.00 C ATOM 829 C ALA A 89 -27.158 1.081 -1.818 1.00 0.00 C ATOM 830 O ALA A 89 -26.347 1.140 -2.721 1.00 0.00 O ATOM 831 CB ALA A 89 -29.326 -0.151 -1.992 1.00 0.00 C ATOM 0 H ALA A 89 -28.797 -0.401 0.431 1.00 0.00 H new ATOM 0 HA ALA A 89 -27.373 -1.056 -1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -29.328 0.004 -3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -29.841 -1.083 -1.758 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -29.838 0.679 -1.505 1.00 0.00 H new ATOM 837 N VAL A 90 -27.444 2.127 -1.094 1.00 0.00 N ATOM 838 CA VAL A 90 -26.771 3.429 -1.366 1.00 0.00 C ATOM 839 C VAL A 90 -25.283 3.316 -1.025 1.00 0.00 C ATOM 840 O VAL A 90 -24.460 4.038 -1.553 1.00 0.00 O ATOM 841 CB VAL A 90 -27.410 4.522 -0.507 1.00 0.00 C ATOM 842 CG1 VAL A 90 -26.615 5.820 -0.659 1.00 0.00 C ATOM 843 CG2 VAL A 90 -28.852 4.751 -0.965 1.00 0.00 C ATOM 0 H VAL A 90 -28.115 2.137 -0.326 1.00 0.00 H new ATOM 0 HA VAL A 90 -26.883 3.683 -2.420 1.00 0.00 H new ATOM 0 HB VAL A 90 -27.405 4.213 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -27.070 6.599 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -25.587 5.657 -0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -26.621 6.130 -1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -29.309 5.530 -0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -28.857 5.060 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -29.419 3.826 -0.858 1.00 0.00 H new ATOM 853 N ALA A 91 -24.931 2.420 -0.144 1.00 0.00 N ATOM 854 CA ALA A 91 -23.496 2.268 0.230 1.00 0.00 C ATOM 855 C ALA A 91 -22.771 1.441 -0.833 1.00 0.00 C ATOM 856 O ALA A 91 -21.566 1.515 -0.976 1.00 0.00 O ATOM 857 CB ALA A 91 -23.394 1.558 1.582 1.00 0.00 C ATOM 0 H ALA A 91 -25.574 1.787 0.332 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.035 3.253 0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.345 1.446 1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -23.907 2.147 2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.857 0.574 1.512 1.00 0.00 H new ATOM 863 N GLU A 92 -23.492 0.648 -1.580 1.00 0.00 N ATOM 864 CA GLU A 92 -22.837 -0.184 -2.630 1.00 0.00 C ATOM 865 C GLU A 92 -23.321 0.255 -4.014 1.00 0.00 C ATOM 866 O GLU A 92 -22.535 0.578 -4.882 1.00 0.00 O ATOM 867 CB GLU A 92 -23.196 -1.655 -2.409 1.00 0.00 C ATOM 868 CG GLU A 92 -22.686 -2.106 -1.039 1.00 0.00 C ATOM 869 CD GLU A 92 -23.016 -3.586 -0.836 1.00 0.00 C ATOM 870 OE1 GLU A 92 -23.775 -4.117 -1.630 1.00 0.00 O ATOM 871 OE2 GLU A 92 -22.503 -4.163 0.108 1.00 0.00 O ATOM 0 H GLU A 92 -24.504 0.541 -1.509 1.00 0.00 H new ATOM 0 HA GLU A 92 -21.756 -0.057 -2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -24.276 -1.789 -2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -22.754 -2.270 -3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -21.610 -1.949 -0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -23.146 -1.508 -0.252 1.00 0.00 H new ATOM 878 N LEU A 93 -24.609 0.266 -4.230 1.00 0.00 N ATOM 879 CA LEU A 93 -25.137 0.680 -5.561 1.00 0.00 C ATOM 880 C LEU A 93 -24.653 2.094 -5.888 1.00 0.00 C ATOM 881 O LEU A 93 -24.502 2.458 -7.036 1.00 0.00 O ATOM 882 CB LEU A 93 -26.666 0.659 -5.533 1.00 0.00 C ATOM 883 CG LEU A 93 -27.153 -0.781 -5.358 1.00 0.00 C ATOM 884 CD1 LEU A 93 -28.682 -0.812 -5.402 1.00 0.00 C ATOM 885 CD2 LEU A 93 -26.589 -1.648 -6.486 1.00 0.00 C ATOM 0 H LEU A 93 -25.317 0.007 -3.543 1.00 0.00 H new ATOM 0 HA LEU A 93 -24.777 -0.011 -6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -27.034 1.280 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -27.063 1.079 -6.457 1.00 0.00 H new ATOM 0 HG LEU A 93 -26.812 -1.168 -4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -29.029 -1.838 -5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -29.082 -0.194 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -29.026 -0.427 -6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -26.935 -2.674 -6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -26.930 -1.262 -7.447 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -25.500 -1.625 -6.452 1.00 0.00 H new ATOM 897 N ASN A 94 -24.409 2.894 -4.886 1.00 0.00 N ATOM 898 CA ASN A 94 -23.935 4.283 -5.143 1.00 0.00 C ATOM 899 C ASN A 94 -22.440 4.259 -5.465 1.00 0.00 C ATOM 900 O ASN A 94 -21.635 3.783 -4.688 1.00 0.00 O ATOM 901 CB ASN A 94 -24.177 5.141 -3.900 1.00 0.00 C ATOM 902 CG ASN A 94 -24.102 6.621 -4.280 1.00 0.00 C ATOM 903 OD1 ASN A 94 -23.785 6.957 -5.403 1.00 0.00 O ATOM 904 ND2 ASN A 94 -24.381 7.527 -3.382 1.00 0.00 N ATOM 0 H ASN A 94 -24.517 2.646 -3.902 1.00 0.00 H new ATOM 0 HA ASN A 94 -24.481 4.705 -5.987 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -25.153 4.913 -3.472 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -23.433 4.912 -3.137 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -24.333 8.517 -3.624 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -24.647 7.245 -2.439 1.00 0.00 H new ATOM 911 N GLY A 95 -22.059 4.769 -6.604 1.00 0.00 N ATOM 912 CA GLY A 95 -20.615 4.774 -6.974 1.00 0.00 C ATOM 913 C GLY A 95 -20.290 3.511 -7.773 1.00 0.00 C ATOM 914 O GLY A 95 -19.193 2.992 -7.713 1.00 0.00 O ATOM 0 H GLY A 95 -22.685 5.183 -7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.383 5.661 -7.564 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.999 4.818 -6.076 1.00 0.00 H new ATOM 918 N THR A 96 -21.234 3.013 -8.524 1.00 0.00 N ATOM 919 CA THR A 96 -20.977 1.785 -9.328 1.00 0.00 C ATOM 920 C THR A 96 -21.073 2.126 -10.816 1.00 0.00 C ATOM 921 O THR A 96 -21.598 3.155 -11.193 1.00 0.00 O ATOM 922 CB THR A 96 -22.017 0.717 -8.979 1.00 0.00 C ATOM 923 OG1 THR A 96 -23.292 1.126 -9.458 1.00 0.00 O ATOM 924 CG2 THR A 96 -22.074 0.535 -7.461 1.00 0.00 C ATOM 0 H THR A 96 -22.172 3.403 -8.615 1.00 0.00 H new ATOM 0 HA THR A 96 -19.980 1.404 -9.104 1.00 0.00 H new ATOM 0 HB THR A 96 -21.739 -0.228 -9.445 1.00 0.00 H new ATOM 0 HG1 THR A 96 -23.776 1.592 -8.744 1.00 0.00 H new ATOM 0 HG21 THR A 96 -22.815 -0.225 -7.213 1.00 0.00 H new ATOM 0 HG22 THR A 96 -21.096 0.222 -7.095 1.00 0.00 H new ATOM 0 HG23 THR A 96 -22.352 1.479 -6.992 1.00 0.00 H new ATOM 932 N GLN A 97 -20.572 1.273 -11.666 1.00 0.00 N ATOM 933 CA GLN A 97 -20.636 1.556 -13.128 1.00 0.00 C ATOM 934 C GLN A 97 -21.283 0.372 -13.850 1.00 0.00 C ATOM 935 O GLN A 97 -21.195 -0.758 -13.416 1.00 0.00 O ATOM 936 CB GLN A 97 -19.222 1.773 -13.669 1.00 0.00 C ATOM 937 CG GLN A 97 -19.299 2.186 -15.141 1.00 0.00 C ATOM 938 CD GLN A 97 -17.891 2.479 -15.663 1.00 0.00 C ATOM 939 OE1 GLN A 97 -16.940 2.489 -14.907 1.00 0.00 O ATOM 940 NE2 GLN A 97 -17.716 2.719 -16.934 1.00 0.00 N ATOM 0 H GLN A 97 -20.122 0.394 -11.412 1.00 0.00 H new ATOM 0 HA GLN A 97 -21.231 2.453 -13.298 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -18.713 2.544 -13.090 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -18.637 0.859 -13.566 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -19.758 1.392 -15.729 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -19.930 3.068 -15.250 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -18.514 2.711 -17.569 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.781 2.915 -17.292 1.00 0.00 H new ATOM 949 N VAL A 98 -21.930 0.627 -14.954 1.00 0.00 N ATOM 950 CA VAL A 98 -22.584 -0.479 -15.712 1.00 0.00 C ATOM 951 C VAL A 98 -21.756 -0.788 -16.958 1.00 0.00 C ATOM 952 O VAL A 98 -20.627 -0.358 -17.086 1.00 0.00 O ATOM 953 CB VAL A 98 -23.999 -0.065 -16.142 1.00 0.00 C ATOM 954 CG1 VAL A 98 -24.982 -1.185 -15.797 1.00 0.00 C ATOM 955 CG2 VAL A 98 -24.423 1.219 -15.419 1.00 0.00 C ATOM 0 H VAL A 98 -22.035 1.555 -15.365 1.00 0.00 H new ATOM 0 HA VAL A 98 -22.648 -1.359 -15.072 1.00 0.00 H new ATOM 0 HB VAL A 98 -24.001 0.116 -17.217 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -25.987 -0.893 -16.101 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -24.694 -2.096 -16.321 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -24.966 -1.365 -14.722 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -25.428 1.499 -15.735 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -24.415 1.050 -14.342 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -23.728 2.022 -15.666 1.00 0.00 H new ATOM 965 N GLU A 99 -22.310 -1.521 -17.885 1.00 0.00 N ATOM 966 CA GLU A 99 -21.550 -1.841 -19.126 1.00 0.00 C ATOM 967 C GLU A 99 -20.924 -0.554 -19.665 1.00 0.00 C ATOM 968 O GLU A 99 -19.924 -0.578 -20.357 1.00 0.00 O ATOM 969 CB GLU A 99 -22.500 -2.427 -20.172 1.00 0.00 C ATOM 970 CG GLU A 99 -23.056 -3.760 -19.666 1.00 0.00 C ATOM 971 CD GLU A 99 -21.898 -4.688 -19.294 1.00 0.00 C ATOM 972 OE1 GLU A 99 -20.988 -4.817 -20.096 1.00 0.00 O ATOM 973 OE2 GLU A 99 -21.942 -5.255 -18.215 1.00 0.00 O ATOM 0 H GLU A 99 -23.252 -1.910 -17.837 1.00 0.00 H new ATOM 0 HA GLU A 99 -20.769 -2.569 -18.906 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -23.316 -1.731 -20.368 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -21.973 -2.575 -21.115 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -23.696 -3.594 -18.799 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -23.675 -4.223 -20.435 1.00 0.00 H new ATOM 980 N SER A 100 -21.504 0.572 -19.344 1.00 0.00 N ATOM 981 CA SER A 100 -20.945 1.865 -19.828 1.00 0.00 C ATOM 982 C SER A 100 -21.798 3.018 -19.296 1.00 0.00 C ATOM 983 O SER A 100 -22.015 4.006 -19.968 1.00 0.00 O ATOM 984 CB SER A 100 -20.953 1.886 -21.358 1.00 0.00 C ATOM 985 OG SER A 100 -19.618 1.976 -21.837 1.00 0.00 O ATOM 0 H SER A 100 -22.341 0.651 -18.767 1.00 0.00 H new ATOM 0 HA SER A 100 -19.921 1.975 -19.471 1.00 0.00 H new ATOM 0 HB2 SER A 100 -21.429 0.984 -21.742 1.00 0.00 H new ATOM 0 HB3 SER A 100 -21.538 2.733 -21.718 1.00 0.00 H new ATOM 0 HG SER A 100 -19.110 1.194 -21.538 1.00 0.00 H new ATOM 991 N VAL A 101 -22.286 2.898 -18.091 1.00 0.00 N ATOM 992 CA VAL A 101 -23.126 3.984 -17.514 1.00 0.00 C ATOM 993 C VAL A 101 -22.795 4.150 -16.029 1.00 0.00 C ATOM 994 O VAL A 101 -22.157 3.309 -15.428 1.00 0.00 O ATOM 995 CB VAL A 101 -24.602 3.615 -17.669 1.00 0.00 C ATOM 996 CG1 VAL A 101 -25.461 4.603 -16.876 1.00 0.00 C ATOM 997 CG2 VAL A 101 -24.990 3.672 -19.147 1.00 0.00 C ATOM 0 H VAL A 101 -22.139 2.094 -17.481 1.00 0.00 H new ATOM 0 HA VAL A 101 -22.925 4.919 -18.036 1.00 0.00 H new ATOM 0 HB VAL A 101 -24.766 2.606 -17.290 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -26.513 4.340 -16.986 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -25.185 4.561 -15.822 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -25.297 5.612 -17.254 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -26.042 3.409 -19.257 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -24.826 4.680 -19.528 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -24.379 2.968 -19.711 1.00 0.00 H new ATOM 1007 N GLN A 102 -23.226 5.227 -15.432 1.00 0.00 N ATOM 1008 CA GLN A 102 -22.940 5.446 -13.987 1.00 0.00 C ATOM 1009 C GLN A 102 -24.259 5.567 -13.221 1.00 0.00 C ATOM 1010 O GLN A 102 -25.118 6.353 -13.566 1.00 0.00 O ATOM 1011 CB GLN A 102 -22.130 6.732 -13.816 1.00 0.00 C ATOM 1012 CG GLN A 102 -20.720 6.526 -14.375 1.00 0.00 C ATOM 1013 CD GLN A 102 -19.859 7.749 -14.056 1.00 0.00 C ATOM 1014 OE1 GLN A 102 -20.370 8.777 -13.658 1.00 0.00 O ATOM 1015 NE2 GLN A 102 -18.565 7.681 -14.213 1.00 0.00 N ATOM 0 H GLN A 102 -23.765 5.966 -15.884 1.00 0.00 H new ATOM 0 HA GLN A 102 -22.368 4.604 -13.597 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -22.621 7.555 -14.334 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -22.078 7.004 -12.762 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -20.273 5.631 -13.942 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -20.764 6.371 -15.453 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -18.136 6.818 -14.547 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -17.982 8.491 -14.002 1.00 0.00 H new ATOM 1024 N LEU A 103 -24.428 4.792 -12.185 1.00 0.00 N ATOM 1025 CA LEU A 103 -25.689 4.858 -11.402 1.00 0.00 C ATOM 1026 C LEU A 103 -25.547 5.891 -10.281 1.00 0.00 C ATOM 1027 O LEU A 103 -24.668 5.798 -9.447 1.00 0.00 O ATOM 1028 CB LEU A 103 -25.974 3.485 -10.796 1.00 0.00 C ATOM 1029 CG LEU A 103 -26.645 2.594 -11.842 1.00 0.00 C ATOM 1030 CD1 LEU A 103 -26.589 1.136 -11.382 1.00 0.00 C ATOM 1031 CD2 LEU A 103 -28.105 3.019 -12.014 1.00 0.00 C ATOM 0 H LEU A 103 -23.744 4.115 -11.848 1.00 0.00 H new ATOM 0 HA LEU A 103 -26.510 5.150 -12.057 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -25.046 3.027 -10.454 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -26.619 3.588 -9.923 1.00 0.00 H new ATOM 0 HG LEU A 103 -26.123 2.695 -12.793 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -27.067 0.501 -12.127 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -25.549 0.833 -11.260 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -27.111 1.034 -10.430 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -28.583 2.384 -12.760 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -28.628 2.919 -11.063 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -28.145 4.058 -12.342 1.00 0.00 H new ATOM 1043 N LYS A 104 -26.406 6.872 -10.253 1.00 0.00 N ATOM 1044 CA LYS A 104 -26.321 7.907 -9.185 1.00 0.00 C ATOM 1045 C LYS A 104 -27.487 7.725 -8.210 1.00 0.00 C ATOM 1046 O LYS A 104 -28.633 7.654 -8.606 1.00 0.00 O ATOM 1047 CB LYS A 104 -26.396 9.299 -9.816 1.00 0.00 C ATOM 1048 CG LYS A 104 -25.113 9.569 -10.606 1.00 0.00 C ATOM 1049 CD LYS A 104 -25.167 10.979 -11.198 1.00 0.00 C ATOM 1050 CE LYS A 104 -24.032 11.149 -12.210 1.00 0.00 C ATOM 1051 NZ LYS A 104 -23.092 12.200 -11.729 1.00 0.00 N ATOM 0 H LYS A 104 -27.163 7.002 -10.924 1.00 0.00 H new ATOM 0 HA LYS A 104 -25.377 7.803 -8.650 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -27.262 9.366 -10.474 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -26.525 10.055 -9.041 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -24.244 9.469 -9.955 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -25.001 8.833 -11.402 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -26.129 11.145 -11.683 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -25.077 11.722 -10.405 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -23.503 10.205 -12.341 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -24.437 11.426 -13.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -22.320 12.316 -12.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -23.602 13.101 -11.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -22.697 11.918 -10.809 1.00 0.00 H new ATOM 1065 N VAL A 105 -27.203 7.644 -6.939 1.00 0.00 N ATOM 1066 CA VAL A 105 -28.298 7.463 -5.944 1.00 0.00 C ATOM 1067 C VAL A 105 -28.362 8.682 -5.021 1.00 0.00 C ATOM 1068 O VAL A 105 -27.353 9.245 -4.648 1.00 0.00 O ATOM 1069 CB VAL A 105 -28.025 6.208 -5.112 1.00 0.00 C ATOM 1070 CG1 VAL A 105 -29.165 6.000 -4.112 1.00 0.00 C ATOM 1071 CG2 VAL A 105 -27.931 4.994 -6.037 1.00 0.00 C ATOM 0 H VAL A 105 -26.263 7.695 -6.547 1.00 0.00 H new ATOM 0 HA VAL A 105 -29.248 7.356 -6.467 1.00 0.00 H new ATOM 0 HB VAL A 105 -27.086 6.328 -4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -28.971 5.106 -3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -29.233 6.865 -3.452 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -30.105 5.881 -4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -27.737 4.100 -5.445 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -28.870 4.875 -6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -27.119 5.141 -6.749 1.00 0.00 H new ATOM 1081 N ASN A 106 -29.544 9.090 -4.648 1.00 0.00 N ATOM 1082 CA ASN A 106 -29.679 10.269 -3.748 1.00 0.00 C ATOM 1083 C ASN A 106 -30.764 9.989 -2.705 1.00 0.00 C ATOM 1084 O ASN A 106 -31.298 8.901 -2.630 1.00 0.00 O ATOM 1085 CB ASN A 106 -30.064 11.500 -4.570 1.00 0.00 C ATOM 1086 CG ASN A 106 -29.008 11.741 -5.651 1.00 0.00 C ATOM 1087 OD1 ASN A 106 -29.335 11.905 -6.810 1.00 0.00 O ATOM 1088 ND2 ASN A 106 -27.747 11.771 -5.318 1.00 0.00 N ATOM 0 H ASN A 106 -30.424 8.656 -4.929 1.00 0.00 H new ATOM 0 HA ASN A 106 -28.730 10.454 -3.246 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -31.042 11.353 -5.028 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -30.143 12.373 -3.922 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -27.035 11.932 -6.030 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -27.473 11.633 -4.345 1.00 0.00 H new ATOM 1095 N ILE A 107 -31.094 10.961 -1.901 1.00 0.00 N ATOM 1096 CA ILE A 107 -32.144 10.746 -0.865 1.00 0.00 C ATOM 1097 C ILE A 107 -33.410 11.512 -1.253 1.00 0.00 C ATOM 1098 O ILE A 107 -33.349 12.621 -1.747 1.00 0.00 O ATOM 1099 CB ILE A 107 -31.637 11.248 0.488 1.00 0.00 C ATOM 1100 CG1 ILE A 107 -30.323 10.545 0.834 1.00 0.00 C ATOM 1101 CG2 ILE A 107 -32.678 10.943 1.567 1.00 0.00 C ATOM 1102 CD1 ILE A 107 -29.771 11.111 2.144 1.00 0.00 C ATOM 0 H ILE A 107 -30.683 11.894 -1.916 1.00 0.00 H new ATOM 0 HA ILE A 107 -32.372 9.682 -0.795 1.00 0.00 H new ATOM 0 HB ILE A 107 -31.470 12.324 0.437 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -30.487 9.472 0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -29.600 10.687 0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -32.318 11.300 2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -33.614 11.444 1.321 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -32.845 9.867 1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -28.835 10.610 2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -29.592 12.180 2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -30.493 10.946 2.944 1.00 0.00 H new ATOM 1114 N ALA A 108 -34.557 10.931 -1.034 1.00 0.00 N ATOM 1115 CA ALA A 108 -35.826 11.627 -1.390 1.00 0.00 C ATOM 1116 C ALA A 108 -35.904 12.958 -0.638 1.00 0.00 C ATOM 1117 O ALA A 108 -36.431 13.933 -1.138 1.00 0.00 O ATOM 1118 CB ALA A 108 -37.016 10.749 -0.998 1.00 0.00 C ATOM 0 H ALA A 108 -34.671 10.004 -0.624 1.00 0.00 H new ATOM 0 HA ALA A 108 -35.851 11.814 -2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -37.944 11.257 -1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -36.960 9.800 -1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -36.993 10.563 0.076 1.00 0.00 H new