USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 686 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 75 ASN : amide:sc= -2.68! C(o=-3.4!,f=-4.8!) USER MOD Set 1.2: A 94 SER OG : rot 83:sc= -0.71 USER MOD Single : A 23 HIS :FLIP no HD1:sc= -7.78! C(o=-8.9!,f=-7.8!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -152:sc= -3.65! (180deg=-5.3!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -1.98 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -2.02 F(o=-2.8,f=-2) USER MOD Single : A 66 LYS NZ :NH3+ 162:sc= -0.0287 (180deg=-0.232) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.532 X(o=-0.53,f=-0.081) USER MOD Single : A 76 HIS : no HD1:sc= -0.495 X(o=-0.5,f=-0.75) USER MOD Single : A 79 THR OG1 : rot 77:sc= -0.101 USER MOD Single : A 84 CYS SG : rot -88:sc= -0.0469 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.012) USER MOD Single : A 97 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0102) USER MOD Single : A 103 SER OG : rot 56:sc= -4.52 USER MOD Single : A 105 ASN : amide:sc= -4.35 K(o=-4.3,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 20 -3.868 -14.005 -8.555 1.00 0.00 N ATOM 57 CA VAL A 20 -3.701 -12.603 -8.179 1.00 0.00 C ATOM 58 C VAL A 20 -3.284 -11.748 -9.374 1.00 0.00 C ATOM 59 O VAL A 20 -2.531 -12.196 -10.239 1.00 0.00 O ATOM 60 CB VAL A 20 -2.649 -12.441 -7.064 1.00 0.00 C ATOM 61 CG1 VAL A 20 -3.058 -13.214 -5.821 1.00 0.00 C ATOM 62 CG2 VAL A 20 -1.276 -12.885 -7.550 1.00 0.00 C ATOM 0 HA VAL A 20 -4.670 -12.263 -7.814 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.591 -11.385 -6.802 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.301 -13.085 -5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.015 -12.839 -5.458 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.151 -14.272 -6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.549 -12.762 -6.747 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.316 -13.933 -7.846 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.979 -12.278 -8.405 1.00 0.00 H new ATOM 72 N GLU A 21 -3.774 -10.514 -9.410 1.00 0.00 N ATOM 73 CA GLU A 21 -3.447 -9.595 -10.493 1.00 0.00 C ATOM 74 C GLU A 21 -2.671 -8.396 -9.964 1.00 0.00 C ATOM 75 O GLU A 21 -3.142 -7.681 -9.079 1.00 0.00 O ATOM 76 CB GLU A 21 -4.722 -9.125 -11.197 1.00 0.00 C ATOM 77 CG GLU A 21 -5.655 -10.259 -11.585 1.00 0.00 C ATOM 78 CD GLU A 21 -5.942 -10.297 -13.074 1.00 0.00 C ATOM 79 OE1 GLU A 21 -4.976 -10.342 -13.865 1.00 0.00 O ATOM 80 OE2 GLU A 21 -7.133 -10.282 -13.450 1.00 0.00 O ATOM 0 H GLU A 21 -4.399 -10.127 -8.702 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.822 -10.124 -11.212 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.255 -8.435 -10.543 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.448 -8.568 -12.093 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.214 -11.208 -11.280 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.594 -10.154 -11.041 1.00 0.00 H new ATOM 87 N LEU A 22 -1.477 -8.184 -10.506 1.00 0.00 N ATOM 88 CA LEU A 22 -0.632 -7.076 -10.085 1.00 0.00 C ATOM 89 C LEU A 22 -1.295 -5.732 -10.362 1.00 0.00 C ATOM 90 O LEU A 22 -1.882 -5.524 -11.423 1.00 0.00 O ATOM 91 CB LEU A 22 0.715 -7.146 -10.801 1.00 0.00 C ATOM 92 CG LEU A 22 1.752 -8.033 -10.120 1.00 0.00 C ATOM 93 CD1 LEU A 22 3.031 -8.082 -10.942 1.00 0.00 C ATOM 94 CD2 LEU A 22 2.039 -7.529 -8.714 1.00 0.00 C ATOM 0 H LEU A 22 -1.073 -8.767 -11.239 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.479 -7.162 -9.009 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.554 -7.511 -11.815 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.119 -6.137 -10.886 1.00 0.00 H new ATOM 0 HG LEU A 22 1.351 -9.044 -10.048 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.761 -8.719 -10.442 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.813 -8.486 -11.930 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.437 -7.076 -11.043 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.781 -8.173 -8.241 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.422 -6.510 -8.764 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.120 -7.543 -8.128 1.00 0.00 H new ATOM 106 N HIS A 23 -1.187 -4.820 -9.401 1.00 0.00 N ATOM 107 CA HIS A 23 -1.766 -3.491 -9.541 1.00 0.00 C ATOM 108 C HIS A 23 -0.930 -2.466 -8.776 1.00 0.00 C ATOM 109 O HIS A 23 -0.646 -2.641 -7.589 1.00 0.00 O ATOM 110 CB HIS A 23 -3.227 -3.495 -9.059 1.00 0.00 C ATOM 111 CG HIS A 23 -3.515 -2.558 -7.923 1.00 0.00 C ATOM 112 ND1 HIS A 23 -3.640 -2.788 -6.595 1.00 0.00 N flip ATOM 113 CD2 HIS A 23 -3.715 -1.204 -8.096 1.00 0.00 C flip ATOM 114 CE1 HIS A 23 -3.912 -1.582 -5.997 1.00 0.00 C flip ATOM 115 NE2 HIS A 23 -3.950 -0.644 -6.923 1.00 0.00 N flip ATOM 0 H HIS A 23 -0.703 -4.978 -8.517 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.760 -3.208 -10.594 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -3.873 -3.236 -9.898 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.492 -4.507 -8.753 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.684 -0.684 -9.042 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.069 -1.427 -4.940 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -4.130 0.347 -6.761 1.00 0.00 H new ATOM 124 N LYS A 24 -0.537 -1.400 -9.465 1.00 0.00 N ATOM 125 CA LYS A 24 0.266 -0.348 -8.856 1.00 0.00 C ATOM 126 C LYS A 24 -0.570 0.466 -7.876 1.00 0.00 C ATOM 127 O LYS A 24 -1.696 0.859 -8.184 1.00 0.00 O ATOM 128 CB LYS A 24 0.850 0.569 -9.931 1.00 0.00 C ATOM 129 CG LYS A 24 1.887 1.544 -9.400 1.00 0.00 C ATOM 130 CD LYS A 24 2.678 2.185 -10.529 1.00 0.00 C ATOM 131 CE LYS A 24 4.020 1.498 -10.731 1.00 0.00 C ATOM 132 NZ LYS A 24 4.429 1.488 -12.161 1.00 0.00 N ATOM 0 H LYS A 24 -0.762 -1.242 -10.447 1.00 0.00 H new ATOM 0 HA LYS A 24 1.085 -0.818 -8.311 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.304 -0.042 -10.711 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.040 1.131 -10.397 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.393 2.319 -8.815 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.568 1.022 -8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.101 2.136 -11.452 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.838 3.240 -10.309 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.781 2.007 -10.139 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.962 0.474 -10.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.348 1.011 -12.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.716 0.980 -12.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.509 2.466 -12.506 1.00 0.00 H new ATOM 146 N VAL A 25 -0.018 0.713 -6.694 1.00 0.00 N ATOM 147 CA VAL A 25 -0.722 1.478 -5.672 1.00 0.00 C ATOM 148 C VAL A 25 0.196 2.499 -5.014 1.00 0.00 C ATOM 149 O VAL A 25 1.397 2.268 -4.865 1.00 0.00 O ATOM 150 CB VAL A 25 -1.318 0.569 -4.573 1.00 0.00 C ATOM 151 CG1 VAL A 25 -2.714 1.038 -4.191 1.00 0.00 C ATOM 152 CG2 VAL A 25 -1.340 -0.889 -5.015 1.00 0.00 C ATOM 0 H VAL A 25 0.912 0.396 -6.420 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.535 1.991 -6.185 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.678 0.640 -3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.118 0.386 -3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.664 2.060 -3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.362 1.004 -5.067 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.764 -1.504 -4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.948 -0.987 -5.914 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.323 -1.221 -5.226 1.00 0.00 H new ATOM 162 N THR A 26 -0.382 3.623 -4.613 1.00 0.00 N ATOM 163 CA THR A 26 0.371 4.684 -3.959 1.00 0.00 C ATOM 164 C THR A 26 -0.388 5.189 -2.734 1.00 0.00 C ATOM 165 O THR A 26 -1.507 5.690 -2.852 1.00 0.00 O ATOM 166 CB THR A 26 0.623 5.834 -4.934 1.00 0.00 C ATOM 167 OG1 THR A 26 1.364 5.387 -6.055 1.00 0.00 O ATOM 168 CG2 THR A 26 1.378 6.991 -4.317 1.00 0.00 C ATOM 0 H THR A 26 -1.375 3.824 -4.730 1.00 0.00 H new ATOM 0 HA THR A 26 1.332 4.283 -3.637 1.00 0.00 H new ATOM 0 HB THR A 26 -0.367 6.184 -5.227 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.514 6.137 -6.668 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.522 7.771 -5.064 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.808 7.392 -3.479 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.349 6.644 -3.963 1.00 0.00 H new ATOM 176 N LEU A 27 0.215 5.046 -1.558 1.00 0.00 N ATOM 177 CA LEU A 27 -0.419 5.480 -0.320 1.00 0.00 C ATOM 178 C LEU A 27 0.279 6.700 0.273 1.00 0.00 C ATOM 179 O LEU A 27 1.368 7.079 -0.159 1.00 0.00 O ATOM 180 CB LEU A 27 -0.419 4.340 0.700 1.00 0.00 C ATOM 181 CG LEU A 27 -1.192 3.090 0.274 1.00 0.00 C ATOM 182 CD1 LEU A 27 -0.463 1.833 0.725 1.00 0.00 C ATOM 183 CD2 LEU A 27 -2.606 3.124 0.834 1.00 0.00 C ATOM 0 H LEU A 27 1.140 4.634 -1.437 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.446 5.760 -0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.613 4.057 0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.841 4.709 1.635 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.255 3.075 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.027 0.954 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.529 1.806 0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.368 1.837 1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.143 2.228 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.565 3.162 1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.125 4.006 0.459 1.00 0.00 H new ATOM 195 N TYR A 28 -0.359 7.308 1.269 1.00 0.00 N ATOM 196 CA TYR A 28 0.191 8.482 1.936 1.00 0.00 C ATOM 197 C TYR A 28 0.056 8.351 3.449 1.00 0.00 C ATOM 198 O TYR A 28 -1.006 7.995 3.959 1.00 0.00 O ATOM 199 CB TYR A 28 -0.524 9.747 1.456 1.00 0.00 C ATOM 200 CG TYR A 28 -0.616 9.860 -0.049 1.00 0.00 C ATOM 201 CD1 TYR A 28 0.529 9.907 -0.833 1.00 0.00 C ATOM 202 CD2 TYR A 28 -1.850 9.919 -0.685 1.00 0.00 C ATOM 203 CE1 TYR A 28 0.448 10.011 -2.209 1.00 0.00 C ATOM 204 CE2 TYR A 28 -1.938 10.021 -2.061 1.00 0.00 C ATOM 205 CZ TYR A 28 -0.787 10.068 -2.817 1.00 0.00 C ATOM 206 OH TYR A 28 -0.872 10.171 -4.187 1.00 0.00 O ATOM 0 H TYR A 28 -1.262 7.004 1.633 1.00 0.00 H new ATOM 0 HA TYR A 28 1.249 8.555 1.685 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.530 9.766 1.875 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.000 10.620 1.846 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.499 9.862 -0.360 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.754 9.885 -0.095 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.348 10.047 -2.804 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.904 10.064 -2.541 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.814 10.199 -4.455 1.00 0.00 H new ATOM 216 N LYS A 29 1.142 8.633 4.165 1.00 0.00 N ATOM 217 CA LYS A 29 1.140 8.538 5.621 1.00 0.00 C ATOM 218 C LYS A 29 1.021 9.916 6.265 1.00 0.00 C ATOM 219 O LYS A 29 1.217 10.940 5.610 1.00 0.00 O ATOM 220 CB LYS A 29 2.412 7.842 6.111 1.00 0.00 C ATOM 221 CG LYS A 29 2.143 6.661 7.029 1.00 0.00 C ATOM 222 CD LYS A 29 3.424 6.149 7.666 1.00 0.00 C ATOM 223 CE LYS A 29 3.820 6.985 8.873 1.00 0.00 C ATOM 224 NZ LYS A 29 5.280 6.898 9.154 1.00 0.00 N ATOM 0 H LYS A 29 2.031 8.928 3.762 1.00 0.00 H new ATOM 0 HA LYS A 29 0.272 7.947 5.915 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.984 7.499 5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.033 8.567 6.637 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.441 6.957 7.808 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.671 5.858 6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.291 5.111 7.969 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.229 6.166 6.931 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.545 8.025 8.700 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.261 6.649 9.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.509 7.482 9.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.539 5.909 9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.813 7.243 8.330 1.00 0.00 H new ATOM 238 N ASP A 30 0.703 9.928 7.555 1.00 0.00 N ATOM 239 CA ASP A 30 0.559 11.172 8.301 1.00 0.00 C ATOM 240 C ASP A 30 1.062 11.004 9.731 1.00 0.00 C ATOM 241 O ASP A 30 0.863 9.958 10.349 1.00 0.00 O ATOM 242 CB ASP A 30 -0.902 11.622 8.309 1.00 0.00 C ATOM 243 CG ASP A 30 -1.047 13.118 8.510 1.00 0.00 C ATOM 244 OD1 ASP A 30 -0.101 13.741 9.036 1.00 0.00 O ATOM 245 OD2 ASP A 30 -2.106 13.667 8.138 1.00 0.00 O ATOM 0 H ASP A 30 0.540 9.086 8.107 1.00 0.00 H new ATOM 0 HA ASP A 30 1.161 11.936 7.809 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.372 11.338 7.367 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.436 11.099 9.102 1.00 0.00 H new ATOM 250 N SER A 31 1.717 12.036 10.250 1.00 0.00 N ATOM 251 CA SER A 31 2.250 12.000 11.608 1.00 0.00 C ATOM 252 C SER A 31 1.156 11.683 12.625 1.00 0.00 C ATOM 253 O SER A 31 1.438 11.201 13.723 1.00 0.00 O ATOM 254 CB SER A 31 2.909 13.336 11.954 1.00 0.00 C ATOM 255 OG SER A 31 4.294 13.313 11.656 1.00 0.00 O ATOM 0 H SER A 31 1.892 12.908 9.751 1.00 0.00 H new ATOM 0 HA SER A 31 2.997 11.207 11.652 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.427 14.138 11.396 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.765 13.553 13.012 1.00 0.00 H new ATOM 0 HG SER A 31 4.692 14.179 11.884 1.00 0.00 H new ATOM 261 N GLY A 32 -0.093 11.957 12.257 1.00 0.00 N ATOM 262 CA GLY A 32 -1.204 11.695 13.152 1.00 0.00 C ATOM 263 C GLY A 32 -1.838 10.333 12.928 1.00 0.00 C ATOM 264 O GLY A 32 -2.626 9.870 13.751 1.00 0.00 O ATOM 0 H GLY A 32 -0.354 12.356 11.355 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.857 11.763 14.183 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.961 12.468 13.019 1.00 0.00 H new ATOM 268 N MET A 33 -1.499 9.692 11.812 1.00 0.00 N ATOM 269 CA MET A 33 -2.049 8.382 11.491 1.00 0.00 C ATOM 270 C MET A 33 -1.319 7.276 12.249 1.00 0.00 C ATOM 271 O MET A 33 -0.162 7.433 12.637 1.00 0.00 O ATOM 272 CB MET A 33 -1.962 8.131 9.986 1.00 0.00 C ATOM 273 CG MET A 33 -3.293 7.760 9.358 1.00 0.00 C ATOM 274 SD MET A 33 -4.063 9.139 8.493 1.00 0.00 S ATOM 275 CE MET A 33 -2.885 9.408 7.172 1.00 0.00 C ATOM 0 H MET A 33 -0.848 10.059 11.118 1.00 0.00 H new ATOM 0 HA MET A 33 -3.095 8.370 11.798 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.575 9.026 9.498 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.245 7.331 9.800 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.143 6.937 8.660 1.00 0.00 H new ATOM 0 HG3 MET A 33 -3.969 7.401 10.134 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.913 10.454 6.867 1.00 0.00 H new ATOM 0 HE2 MET A 33 -1.883 9.158 7.521 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.141 8.776 6.322 1.00 0.00 H new ATOM 285 N GLU A 34 -2.006 6.156 12.453 1.00 0.00 N ATOM 286 CA GLU A 34 -1.428 5.019 13.161 1.00 0.00 C ATOM 287 C GLU A 34 -0.965 3.938 12.186 1.00 0.00 C ATOM 288 O GLU A 34 -0.278 2.993 12.574 1.00 0.00 O ATOM 289 CB GLU A 34 -2.443 4.436 14.146 1.00 0.00 C ATOM 290 CG GLU A 34 -2.366 5.050 15.534 1.00 0.00 C ATOM 291 CD GLU A 34 -1.175 4.550 16.327 1.00 0.00 C ATOM 292 OE1 GLU A 34 -0.062 5.078 16.123 1.00 0.00 O ATOM 293 OE2 GLU A 34 -1.356 3.629 17.152 1.00 0.00 O ATOM 0 H GLU A 34 -2.965 6.012 12.137 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.558 5.375 13.713 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.447 4.582 13.749 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.284 3.360 14.224 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.309 6.135 15.445 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.282 4.823 16.079 1.00 0.00 H new ATOM 300 N ASP A 35 -1.344 4.083 10.921 1.00 0.00 N ATOM 301 CA ASP A 35 -0.969 3.121 9.891 1.00 0.00 C ATOM 302 C ASP A 35 -0.973 3.779 8.516 1.00 0.00 C ATOM 303 O ASP A 35 -1.164 4.989 8.399 1.00 0.00 O ATOM 304 CB ASP A 35 -1.928 1.930 9.904 1.00 0.00 C ATOM 305 CG ASP A 35 -3.367 2.345 9.663 1.00 0.00 C ATOM 306 OD1 ASP A 35 -4.059 2.689 10.643 1.00 0.00 O ATOM 307 OD2 ASP A 35 -3.802 2.324 8.491 1.00 0.00 O ATOM 0 H ASP A 35 -1.912 4.860 10.583 1.00 0.00 H new ATOM 0 HA ASP A 35 0.039 2.766 10.104 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.626 1.215 9.139 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.856 1.419 10.864 1.00 0.00 H new ATOM 312 N PHE A 36 -0.755 2.979 7.476 1.00 0.00 N ATOM 313 CA PHE A 36 -0.731 3.498 6.113 1.00 0.00 C ATOM 314 C PHE A 36 -2.073 3.294 5.420 1.00 0.00 C ATOM 315 O PHE A 36 -2.132 3.097 4.206 1.00 0.00 O ATOM 316 CB PHE A 36 0.388 2.837 5.308 1.00 0.00 C ATOM 317 CG PHE A 36 1.340 3.828 4.705 1.00 0.00 C ATOM 318 CD1 PHE A 36 0.897 4.748 3.768 1.00 0.00 C ATOM 319 CD2 PHE A 36 2.672 3.848 5.082 1.00 0.00 C ATOM 320 CE1 PHE A 36 1.768 5.669 3.217 1.00 0.00 C ATOM 321 CE2 PHE A 36 3.548 4.766 4.532 1.00 0.00 C ATOM 322 CZ PHE A 36 3.095 5.677 3.599 1.00 0.00 C ATOM 0 H PHE A 36 -0.593 1.975 7.550 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.539 4.570 6.167 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.942 2.157 5.956 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.051 2.233 4.514 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.140 4.745 3.465 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.031 3.139 5.813 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.411 6.382 2.488 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.585 4.770 4.832 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.777 6.395 3.168 1.00 0.00 H new ATOM 332 N GLY A 37 -3.149 3.351 6.198 1.00 0.00 N ATOM 333 CA GLY A 37 -4.477 3.180 5.637 1.00 0.00 C ATOM 334 C GLY A 37 -4.858 1.722 5.447 1.00 0.00 C ATOM 335 O GLY A 37 -5.949 1.423 4.963 1.00 0.00 O ATOM 0 H GLY A 37 -3.126 3.512 7.205 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.206 3.658 6.291 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.528 3.691 4.676 1.00 0.00 H new ATOM 339 N PHE A 38 -3.966 0.812 5.827 1.00 0.00 N ATOM 340 CA PHE A 38 -4.235 -0.613 5.690 1.00 0.00 C ATOM 341 C PHE A 38 -3.153 -1.453 6.367 1.00 0.00 C ATOM 342 O PHE A 38 -1.960 -1.185 6.224 1.00 0.00 O ATOM 343 CB PHE A 38 -4.370 -0.989 4.207 1.00 0.00 C ATOM 344 CG PHE A 38 -3.075 -1.037 3.438 1.00 0.00 C ATOM 345 CD1 PHE A 38 -2.019 -0.187 3.739 1.00 0.00 C ATOM 346 CD2 PHE A 38 -2.922 -1.940 2.398 1.00 0.00 C ATOM 347 CE1 PHE A 38 -0.839 -0.244 3.016 1.00 0.00 C ATOM 348 CE2 PHE A 38 -1.749 -2.001 1.676 1.00 0.00 C ATOM 349 CZ PHE A 38 -0.704 -1.154 1.982 1.00 0.00 C ATOM 0 H PHE A 38 -3.056 1.035 6.230 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.178 -0.828 6.192 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.852 -1.964 4.138 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.034 -0.271 3.725 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.119 0.525 4.545 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.735 -2.607 2.149 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.024 0.422 3.259 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.648 -2.713 0.870 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.215 -1.201 1.417 1.00 0.00 H new ATOM 359 N SER A 39 -3.582 -2.470 7.110 1.00 0.00 N ATOM 360 CA SER A 39 -2.655 -3.348 7.813 1.00 0.00 C ATOM 361 C SER A 39 -2.383 -4.602 6.994 1.00 0.00 C ATOM 362 O SER A 39 -3.249 -5.069 6.253 1.00 0.00 O ATOM 363 CB SER A 39 -3.221 -3.730 9.183 1.00 0.00 C ATOM 364 OG SER A 39 -3.401 -2.585 9.997 1.00 0.00 O ATOM 0 H SER A 39 -4.566 -2.705 7.240 1.00 0.00 H new ATOM 0 HA SER A 39 -1.716 -2.813 7.955 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.174 -4.243 9.056 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.546 -4.429 9.677 1.00 0.00 H new ATOM 0 HG SER A 39 -3.765 -2.855 10.866 1.00 0.00 H new ATOM 370 N VAL A 40 -1.174 -5.137 7.126 1.00 0.00 N ATOM 371 CA VAL A 40 -0.784 -6.333 6.389 1.00 0.00 C ATOM 372 C VAL A 40 -0.780 -7.571 7.284 1.00 0.00 C ATOM 373 O VAL A 40 -0.883 -7.467 8.507 1.00 0.00 O ATOM 374 CB VAL A 40 0.606 -6.167 5.748 1.00 0.00 C ATOM 375 CG1 VAL A 40 0.605 -5.005 4.765 1.00 0.00 C ATOM 376 CG2 VAL A 40 1.674 -5.968 6.816 1.00 0.00 C ATOM 0 H VAL A 40 -0.448 -4.762 7.736 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.527 -6.470 5.603 1.00 0.00 H new ATOM 0 HB VAL A 40 0.841 -7.080 5.201 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.596 -4.903 4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.126 -5.194 3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.345 -4.085 5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.648 -5.853 6.340 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.446 -5.074 7.396 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.693 -6.834 7.477 1.00 0.00 H new ATOM 386 N ALA A 41 -0.659 -8.739 6.661 1.00 0.00 N ATOM 387 CA ALA A 41 -0.641 -10.003 7.390 1.00 0.00 C ATOM 388 C ALA A 41 0.360 -10.975 6.774 1.00 0.00 C ATOM 389 O ALA A 41 0.848 -10.759 5.666 1.00 0.00 O ATOM 390 CB ALA A 41 -2.034 -10.618 7.409 1.00 0.00 C ATOM 0 H ALA A 41 -0.572 -8.837 5.649 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.330 -9.802 8.415 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.008 -11.561 7.956 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.727 -9.934 7.898 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.365 -10.800 6.387 1.00 0.00 H new ATOM 396 N ASP A 42 0.660 -12.047 7.499 1.00 0.00 N ATOM 397 CA ASP A 42 1.602 -13.054 7.020 1.00 0.00 C ATOM 398 C ASP A 42 0.925 -14.009 6.044 1.00 0.00 C ATOM 399 O ASP A 42 -0.288 -14.218 6.102 1.00 0.00 O ATOM 400 CB ASP A 42 2.185 -13.836 8.198 1.00 0.00 C ATOM 401 CG ASP A 42 3.575 -14.369 7.906 1.00 0.00 C ATOM 402 OD1 ASP A 42 4.554 -13.634 8.148 1.00 0.00 O ATOM 403 OD2 ASP A 42 3.682 -15.521 7.437 1.00 0.00 O ATOM 0 H ASP A 42 0.266 -12.242 8.419 1.00 0.00 H new ATOM 0 HA ASP A 42 2.410 -12.543 6.497 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.223 -13.191 9.076 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.524 -14.667 8.442 1.00 0.00 H new ATOM 408 N GLY A 43 1.716 -14.588 5.146 1.00 0.00 N ATOM 409 CA GLY A 43 1.177 -15.515 4.169 1.00 0.00 C ATOM 410 C GLY A 43 1.881 -16.858 4.193 1.00 0.00 C ATOM 411 O GLY A 43 3.072 -16.946 3.891 1.00 0.00 O ATOM 0 H GLY A 43 2.722 -14.431 5.078 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.114 -15.662 4.360 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.265 -15.080 3.173 1.00 0.00 H new ATOM 415 N LEU A 44 1.147 -17.905 4.553 1.00 0.00 N ATOM 416 CA LEU A 44 1.713 -19.246 4.616 1.00 0.00 C ATOM 417 C LEU A 44 1.474 -20.005 3.317 1.00 0.00 C ATOM 418 O LEU A 44 2.255 -20.879 2.940 1.00 0.00 O ATOM 419 CB LEU A 44 1.119 -20.023 5.792 1.00 0.00 C ATOM 420 CG LEU A 44 1.881 -21.290 6.183 1.00 0.00 C ATOM 421 CD1 LEU A 44 1.681 -21.599 7.660 1.00 0.00 C ATOM 422 CD2 LEU A 44 1.436 -22.465 5.326 1.00 0.00 C ATOM 0 H LEU A 44 0.160 -17.851 4.805 1.00 0.00 H new ATOM 0 HA LEU A 44 2.789 -19.147 4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.074 -19.363 6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.093 -20.296 5.546 1.00 0.00 H new ATOM 0 HG LEU A 44 2.944 -21.121 6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.230 -22.504 7.920 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.049 -20.766 8.259 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.620 -21.749 7.860 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.989 -23.358 5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.369 -22.636 5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.631 -22.244 4.277 1.00 0.00 H new ATOM 434 N LEU A 45 0.393 -19.661 2.641 1.00 0.00 N ATOM 435 CA LEU A 45 0.041 -20.300 1.378 1.00 0.00 C ATOM 436 C LEU A 45 0.781 -19.651 0.221 1.00 0.00 C ATOM 437 O LEU A 45 1.487 -20.314 -0.539 1.00 0.00 O ATOM 438 CB LEU A 45 -1.469 -20.226 1.143 1.00 0.00 C ATOM 439 CG LEU A 45 -2.274 -21.386 1.732 1.00 0.00 C ATOM 440 CD1 LEU A 45 -2.070 -21.468 3.235 1.00 0.00 C ATOM 441 CD2 LEU A 45 -3.750 -21.231 1.399 1.00 0.00 C ATOM 0 H LEU A 45 -0.262 -18.940 2.944 1.00 0.00 H new ATOM 0 HA LEU A 45 0.337 -21.347 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.842 -19.293 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.653 -20.185 0.069 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.917 -22.315 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.650 -22.299 3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.013 -21.626 3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.400 -20.538 3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.309 -22.064 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.121 -20.295 1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.880 -21.223 0.317 1.00 0.00 H new ATOM 453 N GLU A 46 0.608 -18.349 0.102 1.00 0.00 N ATOM 454 CA GLU A 46 1.250 -17.575 -0.955 1.00 0.00 C ATOM 455 C GLU A 46 2.619 -17.057 -0.515 1.00 0.00 C ATOM 456 O GLU A 46 3.165 -16.142 -1.132 1.00 0.00 O ATOM 457 CB GLU A 46 0.361 -16.398 -1.367 1.00 0.00 C ATOM 458 CG GLU A 46 -1.120 -16.738 -1.420 1.00 0.00 C ATOM 459 CD GLU A 46 -1.747 -16.414 -2.762 1.00 0.00 C ATOM 460 OE1 GLU A 46 -1.243 -15.498 -3.446 1.00 0.00 O ATOM 461 OE2 GLU A 46 -2.740 -17.075 -3.130 1.00 0.00 O ATOM 0 H GLU A 46 0.023 -17.796 0.729 1.00 0.00 H new ATOM 0 HA GLU A 46 1.393 -18.237 -1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.511 -15.578 -0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.678 -16.041 -2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.253 -17.799 -1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.643 -16.189 -0.637 1.00 0.00 H new ATOM 468 N LYS A 47 3.167 -17.647 0.553 1.00 0.00 N ATOM 469 CA LYS A 47 4.473 -17.250 1.090 1.00 0.00 C ATOM 470 C LYS A 47 4.764 -15.770 0.847 1.00 0.00 C ATOM 471 O LYS A 47 5.361 -15.401 -0.165 1.00 0.00 O ATOM 472 CB LYS A 47 5.578 -18.106 0.468 1.00 0.00 C ATOM 473 CG LYS A 47 6.188 -19.110 1.436 1.00 0.00 C ATOM 474 CD LYS A 47 7.707 -19.131 1.341 1.00 0.00 C ATOM 475 CE LYS A 47 8.355 -18.860 2.691 1.00 0.00 C ATOM 476 NZ LYS A 47 9.636 -19.603 2.856 1.00 0.00 N ATOM 0 H LYS A 47 2.722 -18.408 1.066 1.00 0.00 H new ATOM 0 HA LYS A 47 4.447 -17.410 2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.172 -18.642 -0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.365 -17.452 0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.890 -18.861 2.455 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.796 -20.105 1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.036 -20.101 0.967 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.038 -18.383 0.621 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.540 -17.791 2.796 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.666 -19.144 3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.043 -19.390 3.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.457 -20.625 2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.303 -19.314 2.113 1.00 0.00 H new ATOM 490 N GLY A 48 4.336 -14.926 1.782 1.00 0.00 N ATOM 491 CA GLY A 48 4.557 -13.499 1.650 1.00 0.00 C ATOM 492 C GLY A 48 3.741 -12.692 2.638 1.00 0.00 C ATOM 493 O GLY A 48 3.565 -13.098 3.787 1.00 0.00 O ATOM 0 H GLY A 48 3.840 -15.206 2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.615 -13.283 1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.305 -13.188 0.636 1.00 0.00 H new ATOM 497 N VAL A 49 3.240 -11.546 2.190 1.00 0.00 N ATOM 498 CA VAL A 49 2.436 -10.679 3.042 1.00 0.00 C ATOM 499 C VAL A 49 1.346 -9.981 2.237 1.00 0.00 C ATOM 500 O VAL A 49 1.583 -9.515 1.123 1.00 0.00 O ATOM 501 CB VAL A 49 3.308 -9.616 3.739 1.00 0.00 C ATOM 502 CG1 VAL A 49 2.482 -8.797 4.720 1.00 0.00 C ATOM 503 CG2 VAL A 49 4.484 -10.270 4.445 1.00 0.00 C ATOM 0 H VAL A 49 3.377 -11.196 1.242 1.00 0.00 H new ATOM 0 HA VAL A 49 1.975 -11.313 3.799 1.00 0.00 H new ATOM 0 HB VAL A 49 3.696 -8.941 2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.119 -8.053 5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.676 -8.294 4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.059 -9.456 5.478 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.088 -9.504 4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.115 -10.971 5.194 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.094 -10.805 3.717 1.00 0.00 H new ATOM 513 N TYR A 50 0.151 -9.906 2.812 1.00 0.00 N ATOM 514 CA TYR A 50 -0.978 -9.261 2.153 1.00 0.00 C ATOM 515 C TYR A 50 -1.658 -8.282 3.101 1.00 0.00 C ATOM 516 O TYR A 50 -1.243 -8.131 4.247 1.00 0.00 O ATOM 517 CB TYR A 50 -1.995 -10.298 1.658 1.00 0.00 C ATOM 518 CG TYR A 50 -1.470 -11.715 1.621 1.00 0.00 C ATOM 519 CD1 TYR A 50 -0.349 -12.043 0.868 1.00 0.00 C ATOM 520 CD2 TYR A 50 -2.099 -12.726 2.335 1.00 0.00 C ATOM 521 CE1 TYR A 50 0.131 -13.338 0.831 1.00 0.00 C ATOM 522 CE2 TYR A 50 -1.626 -14.025 2.303 1.00 0.00 C ATOM 523 CZ TYR A 50 -0.512 -14.326 1.549 1.00 0.00 C ATOM 524 OH TYR A 50 -0.040 -15.617 1.511 1.00 0.00 O ATOM 0 H TYR A 50 -0.061 -10.285 3.735 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.594 -8.716 1.291 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.873 -10.265 2.303 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.324 -10.018 0.657 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.155 -11.273 0.303 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.973 -12.494 2.926 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.005 -13.576 0.243 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.127 -14.799 2.866 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.605 -16.189 2.072 1.00 0.00 H new ATOM 534 N VAL A 51 -2.699 -7.618 2.615 1.00 0.00 N ATOM 535 CA VAL A 51 -3.429 -6.653 3.428 1.00 0.00 C ATOM 536 C VAL A 51 -4.537 -7.329 4.228 1.00 0.00 C ATOM 537 O VAL A 51 -5.408 -7.995 3.668 1.00 0.00 O ATOM 538 CB VAL A 51 -4.035 -5.535 2.560 1.00 0.00 C ATOM 539 CG1 VAL A 51 -4.732 -4.498 3.429 1.00 0.00 C ATOM 540 CG2 VAL A 51 -2.957 -4.888 1.707 1.00 0.00 C ATOM 0 H VAL A 51 -3.056 -7.729 1.666 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.711 -6.213 4.120 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.780 -5.975 1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.153 -3.717 2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.531 -4.976 3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.012 -4.057 4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.399 -4.099 1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.190 -4.461 2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.508 -5.639 1.057 1.00 0.00 H new ATOM 550 N LYS A 52 -4.491 -7.154 5.545 1.00 0.00 N ATOM 551 CA LYS A 52 -5.484 -7.746 6.434 1.00 0.00 C ATOM 552 C LYS A 52 -6.678 -6.822 6.619 1.00 0.00 C ATOM 553 O LYS A 52 -7.804 -7.276 6.819 1.00 0.00 O ATOM 554 CB LYS A 52 -4.855 -8.055 7.793 1.00 0.00 C ATOM 555 CG LYS A 52 -4.073 -6.893 8.381 1.00 0.00 C ATOM 556 CD LYS A 52 -3.954 -7.009 9.893 1.00 0.00 C ATOM 557 CE LYS A 52 -3.190 -8.260 10.299 1.00 0.00 C ATOM 558 NZ LYS A 52 -3.973 -9.106 11.240 1.00 0.00 N ATOM 0 H LYS A 52 -3.775 -6.606 6.021 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.834 -8.671 5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.641 -8.343 8.491 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.191 -8.913 7.690 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.078 -6.862 7.938 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.565 -5.955 8.125 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.447 -6.128 10.288 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.949 -7.030 10.337 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.943 -8.839 9.409 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.247 -7.974 10.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.418 -9.949 11.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.187 -8.562 12.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.861 -9.400 10.786 1.00 0.00 H new ATOM 572 N ASN A 53 -6.422 -5.526 6.559 1.00 0.00 N ATOM 573 CA ASN A 53 -7.479 -4.533 6.726 1.00 0.00 C ATOM 574 C ASN A 53 -7.098 -3.202 6.087 1.00 0.00 C ATOM 575 O ASN A 53 -5.917 -2.890 5.931 1.00 0.00 O ATOM 576 CB ASN A 53 -7.782 -4.330 8.212 1.00 0.00 C ATOM 577 CG ASN A 53 -8.457 -5.536 8.834 1.00 0.00 C ATOM 578 OD1 ASN A 53 -7.655 -6.455 9.363 1.00 0.00 O flip ATOM 579 ND2 ASN A 53 -9.684 -5.642 8.842 1.00 0.00 N flip ATOM 0 H ASN A 53 -5.495 -5.134 6.396 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.371 -4.907 6.223 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.854 -4.122 8.744 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.422 -3.456 8.333 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.262 -4.912 8.424 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.123 -6.459 9.266 1.00 0.00 H new ATOM 586 N ILE A 54 -8.110 -2.422 5.718 1.00 0.00 N ATOM 587 CA ILE A 54 -7.890 -1.125 5.093 1.00 0.00 C ATOM 588 C ILE A 54 -8.805 -0.062 5.696 1.00 0.00 C ATOM 589 O ILE A 54 -10.027 -0.213 5.704 1.00 0.00 O ATOM 590 CB ILE A 54 -8.135 -1.200 3.576 1.00 0.00 C ATOM 591 CG1 ILE A 54 -7.271 -2.314 2.961 1.00 0.00 C ATOM 592 CG2 ILE A 54 -7.859 0.152 2.923 1.00 0.00 C ATOM 593 CD1 ILE A 54 -6.460 -1.891 1.751 1.00 0.00 C ATOM 0 H ILE A 54 -9.092 -2.668 5.842 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.852 -0.848 5.278 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.181 -1.444 3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.590 -2.691 3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.919 -3.142 2.676 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.037 0.081 1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.520 0.905 3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.822 0.437 3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.883 -2.740 1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.132 -1.544 0.966 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.782 -1.085 2.031 1.00 0.00 H new ATOM 605 N ARG A 55 -8.207 1.013 6.200 1.00 0.00 N ATOM 606 CA ARG A 55 -8.969 2.100 6.801 1.00 0.00 C ATOM 607 C ARG A 55 -9.832 2.802 5.754 1.00 0.00 C ATOM 608 O ARG A 55 -9.320 3.293 4.747 1.00 0.00 O ATOM 609 CB ARG A 55 -8.025 3.110 7.458 1.00 0.00 C ATOM 610 CG ARG A 55 -8.744 4.184 8.257 1.00 0.00 C ATOM 611 CD ARG A 55 -8.791 3.841 9.737 1.00 0.00 C ATOM 612 NE ARG A 55 -9.890 2.932 10.055 1.00 0.00 N ATOM 613 CZ ARG A 55 -10.373 2.750 11.282 1.00 0.00 C ATOM 614 NH1 ARG A 55 -9.854 3.409 12.311 1.00 0.00 N ATOM 615 NH2 ARG A 55 -11.373 1.904 11.481 1.00 0.00 N ATOM 0 H ARG A 55 -7.197 1.154 6.204 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.623 1.675 7.562 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.338 2.578 8.116 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.421 3.586 6.685 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.239 5.140 8.120 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.759 4.303 7.878 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.846 3.385 10.033 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.899 4.757 10.318 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.313 2.405 9.291 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.081 4.058 12.163 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.228 3.266 13.249 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.772 1.392 10.694 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.743 1.764 12.421 1.00 0.00 H new ATOM 629 N PRO A 56 -11.160 2.859 5.971 1.00 0.00 N ATOM 630 CA PRO A 56 -12.084 3.505 5.030 1.00 0.00 C ATOM 631 C PRO A 56 -11.698 4.951 4.735 1.00 0.00 C ATOM 632 O PRO A 56 -11.081 5.621 5.564 1.00 0.00 O ATOM 633 CB PRO A 56 -13.433 3.451 5.754 1.00 0.00 C ATOM 634 CG PRO A 56 -13.307 2.322 6.716 1.00 0.00 C ATOM 635 CD PRO A 56 -11.865 2.300 7.139 1.00 0.00 C ATOM 0 HA PRO A 56 -12.086 3.007 4.061 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.642 4.388 6.270 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.251 3.283 5.053 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.964 2.465 7.574 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.592 1.379 6.250 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.699 2.900 8.034 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.528 1.289 7.366 1.00 0.00 H new ATOM 643 N ALA A 57 -12.071 5.422 3.546 1.00 0.00 N ATOM 644 CA ALA A 57 -11.777 6.790 3.116 1.00 0.00 C ATOM 645 C ALA A 57 -10.390 7.244 3.562 1.00 0.00 C ATOM 646 O ALA A 57 -10.176 8.417 3.865 1.00 0.00 O ATOM 647 CB ALA A 57 -12.837 7.745 3.642 1.00 0.00 C ATOM 0 H ALA A 57 -12.582 4.871 2.857 1.00 0.00 H new ATOM 0 HA ALA A 57 -11.790 6.801 2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.607 8.759 3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.814 7.452 3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.851 7.709 4.731 1.00 0.00 H new ATOM 653 N GLY A 58 -9.451 6.306 3.596 1.00 0.00 N ATOM 654 CA GLY A 58 -8.096 6.626 4.000 1.00 0.00 C ATOM 655 C GLY A 58 -7.091 6.355 2.897 1.00 0.00 C ATOM 656 O GLY A 58 -7.470 6.223 1.733 1.00 0.00 O ATOM 0 H GLY A 58 -9.605 5.328 3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.043 7.676 4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.833 6.040 4.881 1.00 0.00 H new ATOM 660 N PRO A 59 -5.794 6.260 3.230 1.00 0.00 N ATOM 661 CA PRO A 59 -4.744 5.999 2.241 1.00 0.00 C ATOM 662 C PRO A 59 -5.084 4.818 1.335 1.00 0.00 C ATOM 663 O PRO A 59 -5.078 4.941 0.111 1.00 0.00 O ATOM 664 CB PRO A 59 -3.523 5.678 3.104 1.00 0.00 C ATOM 665 CG PRO A 59 -3.760 6.412 4.378 1.00 0.00 C ATOM 666 CD PRO A 59 -5.248 6.401 4.594 1.00 0.00 C ATOM 0 HA PRO A 59 -4.597 6.842 1.565 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.430 4.606 3.276 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.601 6.005 2.624 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.242 5.931 5.207 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.383 7.433 4.316 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.554 5.575 5.236 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.591 7.319 5.071 1.00 0.00 H new ATOM 674 N GLY A 60 -5.380 3.677 1.949 1.00 0.00 N ATOM 675 CA GLY A 60 -5.719 2.489 1.187 1.00 0.00 C ATOM 676 C GLY A 60 -6.995 2.653 0.383 1.00 0.00 C ATOM 677 O GLY A 60 -7.122 2.095 -0.708 1.00 0.00 O ATOM 0 H GLY A 60 -5.391 3.554 2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.898 2.249 0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.829 1.645 1.868 1.00 0.00 H new ATOM 681 N ASP A 61 -7.940 3.421 0.915 1.00 0.00 N ATOM 682 CA ASP A 61 -9.204 3.655 0.233 1.00 0.00 C ATOM 683 C ASP A 61 -9.006 4.602 -0.941 1.00 0.00 C ATOM 684 O ASP A 61 -9.689 4.498 -1.960 1.00 0.00 O ATOM 685 CB ASP A 61 -10.235 4.234 1.205 1.00 0.00 C ATOM 686 CG ASP A 61 -11.660 3.991 0.747 1.00 0.00 C ATOM 687 OD1 ASP A 61 -11.904 2.965 0.080 1.00 0.00 O ATOM 688 OD2 ASP A 61 -12.534 4.830 1.057 1.00 0.00 O ATOM 0 H ASP A 61 -7.853 3.891 1.816 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.573 2.701 -0.144 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.092 3.789 2.190 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.068 5.306 1.312 1.00 0.00 H new ATOM 693 N LEU A 62 -8.066 5.528 -0.787 1.00 0.00 N ATOM 694 CA LEU A 62 -7.774 6.498 -1.830 1.00 0.00 C ATOM 695 C LEU A 62 -7.012 5.850 -2.981 1.00 0.00 C ATOM 696 O LEU A 62 -7.131 6.269 -4.132 1.00 0.00 O ATOM 697 CB LEU A 62 -6.969 7.667 -1.261 1.00 0.00 C ATOM 698 CG LEU A 62 -7.674 8.460 -0.159 1.00 0.00 C ATOM 699 CD1 LEU A 62 -6.660 9.032 0.818 1.00 0.00 C ATOM 700 CD2 LEU A 62 -8.522 9.569 -0.762 1.00 0.00 C ATOM 0 H LEU A 62 -7.494 5.625 0.052 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.722 6.874 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.028 7.283 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.720 8.348 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.331 7.783 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.180 9.593 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.095 8.219 1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.977 9.695 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.017 10.123 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.885 10.245 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.273 9.135 -1.422 1.00 0.00 H new ATOM 712 N GLY A 63 -6.229 4.823 -2.663 1.00 0.00 N ATOM 713 CA GLY A 63 -5.460 4.133 -3.681 1.00 0.00 C ATOM 714 C GLY A 63 -6.249 3.026 -4.352 1.00 0.00 C ATOM 715 O GLY A 63 -6.088 2.775 -5.547 1.00 0.00 O ATOM 0 H GLY A 63 -6.114 4.457 -1.718 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.134 4.850 -4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.561 3.713 -3.230 1.00 0.00 H new ATOM 719 N GLY A 64 -7.105 2.362 -3.582 1.00 0.00 N ATOM 720 CA GLY A 64 -7.910 1.284 -4.126 1.00 0.00 C ATOM 721 C GLY A 64 -7.415 -0.083 -3.698 1.00 0.00 C ATOM 722 O GLY A 64 -7.521 -1.052 -4.450 1.00 0.00 O ATOM 0 H GLY A 64 -7.256 2.551 -2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.944 1.409 -3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.905 1.344 -5.214 1.00 0.00 H new ATOM 726 N LEU A 65 -6.869 -0.160 -2.489 1.00 0.00 N ATOM 727 CA LEU A 65 -6.353 -1.417 -1.962 1.00 0.00 C ATOM 728 C LEU A 65 -7.479 -2.274 -1.387 1.00 0.00 C ATOM 729 O LEU A 65 -8.375 -1.767 -0.715 1.00 0.00 O ATOM 730 CB LEU A 65 -5.303 -1.150 -0.881 1.00 0.00 C ATOM 731 CG LEU A 65 -3.985 -0.562 -1.388 1.00 0.00 C ATOM 732 CD1 LEU A 65 -3.337 0.301 -0.315 1.00 0.00 C ATOM 733 CD2 LEU A 65 -3.040 -1.672 -1.824 1.00 0.00 C ATOM 0 H LEU A 65 -6.773 0.634 -1.856 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.890 -1.961 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.728 -0.468 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.090 -2.086 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.198 0.068 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.401 0.711 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.009 1.117 -0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.137 -0.306 0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.107 -1.236 -2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.833 -2.327 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.502 -2.249 -2.625 1.00 0.00 H new ATOM 745 N LYS A 66 -7.421 -3.574 -1.656 1.00 0.00 N ATOM 746 CA LYS A 66 -8.433 -4.503 -1.164 1.00 0.00 C ATOM 747 C LYS A 66 -7.783 -5.657 -0.404 1.00 0.00 C ATOM 748 O LYS A 66 -6.591 -5.923 -0.561 1.00 0.00 O ATOM 749 CB LYS A 66 -9.265 -5.043 -2.328 1.00 0.00 C ATOM 750 CG LYS A 66 -9.842 -3.956 -3.218 1.00 0.00 C ATOM 751 CD LYS A 66 -10.032 -4.446 -4.645 1.00 0.00 C ATOM 752 CE LYS A 66 -11.384 -5.113 -4.831 1.00 0.00 C ATOM 753 NZ LYS A 66 -12.500 -4.128 -4.796 1.00 0.00 N ATOM 0 H LYS A 66 -6.684 -4.009 -2.212 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.089 -3.965 -0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.643 -5.704 -2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.081 -5.647 -1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.799 -3.625 -2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.178 -3.091 -3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.942 -3.606 -5.334 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.240 -5.151 -4.897 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.399 -5.644 -5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.532 -5.857 -4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.350 -4.551 -5.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.699 -3.864 -3.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.231 -3.280 -5.334 1.00 0.00 H new ATOM 767 N PRO A 67 -8.561 -6.363 0.436 1.00 0.00 N ATOM 768 CA PRO A 67 -8.054 -7.494 1.223 1.00 0.00 C ATOM 769 C PRO A 67 -7.296 -8.503 0.366 1.00 0.00 C ATOM 770 O PRO A 67 -7.678 -8.767 -0.774 1.00 0.00 O ATOM 771 CB PRO A 67 -9.324 -8.123 1.797 1.00 0.00 C ATOM 772 CG PRO A 67 -10.303 -7.003 1.861 1.00 0.00 C ATOM 773 CD PRO A 67 -9.995 -6.115 0.686 1.00 0.00 C ATOM 0 HA PRO A 67 -7.340 -7.176 1.983 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.688 -8.931 1.162 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.144 -8.549 2.784 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.326 -7.376 1.811 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.209 -6.456 2.799 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.604 -6.370 -0.181 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.188 -5.067 0.913 1.00 0.00 H new ATOM 781 N TYR A 68 -6.219 -9.055 0.926 1.00 0.00 N ATOM 782 CA TYR A 68 -5.385 -10.040 0.231 1.00 0.00 C ATOM 783 C TYR A 68 -4.330 -9.359 -0.641 1.00 0.00 C ATOM 784 O TYR A 68 -3.491 -10.025 -1.244 1.00 0.00 O ATOM 785 CB TYR A 68 -6.237 -10.992 -0.616 1.00 0.00 C ATOM 786 CG TYR A 68 -7.463 -11.500 0.108 1.00 0.00 C ATOM 787 CD1 TYR A 68 -7.342 -12.226 1.286 1.00 0.00 C ATOM 788 CD2 TYR A 68 -8.739 -11.253 -0.382 1.00 0.00 C ATOM 789 CE1 TYR A 68 -8.457 -12.693 1.955 1.00 0.00 C ATOM 790 CE2 TYR A 68 -9.859 -11.714 0.282 1.00 0.00 C ATOM 791 CZ TYR A 68 -9.714 -12.433 1.449 1.00 0.00 C ATOM 792 OH TYR A 68 -10.827 -12.896 2.112 1.00 0.00 O ATOM 0 H TYR A 68 -5.900 -8.834 1.869 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.873 -10.625 0.995 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.547 -10.479 -1.526 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.626 -11.841 -0.922 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.359 -12.429 1.686 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.857 -10.691 -1.297 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.345 -13.258 2.869 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.844 -11.512 -0.112 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.634 -12.627 1.625 1.00 0.00 H new ATOM 802 N ASP A 69 -4.380 -8.030 -0.699 1.00 0.00 N ATOM 803 CA ASP A 69 -3.431 -7.254 -1.488 1.00 0.00 C ATOM 804 C ASP A 69 -1.998 -7.621 -1.125 1.00 0.00 C ATOM 805 O ASP A 69 -1.397 -7.026 -0.229 1.00 0.00 O ATOM 806 CB ASP A 69 -3.661 -5.758 -1.268 1.00 0.00 C ATOM 807 CG ASP A 69 -4.544 -5.146 -2.338 1.00 0.00 C ATOM 808 OD1 ASP A 69 -5.269 -5.905 -3.014 1.00 0.00 O ATOM 809 OD2 ASP A 69 -4.509 -3.908 -2.498 1.00 0.00 O ATOM 0 H ASP A 69 -5.073 -7.467 -0.205 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.590 -7.488 -2.541 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.118 -5.603 -0.291 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.700 -5.243 -1.255 1.00 0.00 H new ATOM 814 N ARG A 70 -1.458 -8.611 -1.820 1.00 0.00 N ATOM 815 CA ARG A 70 -0.101 -9.070 -1.572 1.00 0.00 C ATOM 816 C ARG A 70 0.920 -8.110 -2.176 1.00 0.00 C ATOM 817 O ARG A 70 1.034 -7.997 -3.396 1.00 0.00 O ATOM 818 CB ARG A 70 0.077 -10.474 -2.148 1.00 0.00 C ATOM 819 CG ARG A 70 1.494 -11.013 -2.038 1.00 0.00 C ATOM 820 CD ARG A 70 1.647 -12.330 -2.783 1.00 0.00 C ATOM 821 NE ARG A 70 3.019 -12.833 -2.733 1.00 0.00 N ATOM 822 CZ ARG A 70 3.492 -13.778 -3.544 1.00 0.00 C ATOM 823 NH1 ARG A 70 2.709 -14.323 -4.467 1.00 0.00 N ATOM 824 NH2 ARG A 70 4.751 -14.177 -3.432 1.00 0.00 N ATOM 0 H ARG A 70 -1.942 -9.114 -2.564 1.00 0.00 H new ATOM 0 HA ARG A 70 0.068 -9.100 -0.496 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.601 -11.155 -1.633 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.217 -10.465 -3.198 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.195 -10.282 -2.441 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.750 -11.155 -0.988 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.974 -13.071 -2.351 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.348 -12.195 -3.823 1.00 0.00 H new ATOM 0 HE ARG A 70 3.651 -12.437 -2.037 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.740 -14.019 -4.558 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.077 -15.046 -5.085 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.357 -13.761 -2.725 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.114 -14.901 -4.053 1.00 0.00 H new ATOM 838 N LEU A 71 1.660 -7.422 -1.310 1.00 0.00 N ATOM 839 CA LEU A 71 2.674 -6.469 -1.752 1.00 0.00 C ATOM 840 C LEU A 71 3.869 -7.195 -2.358 1.00 0.00 C ATOM 841 O LEU A 71 4.649 -7.829 -1.647 1.00 0.00 O ATOM 842 CB LEU A 71 3.132 -5.601 -0.580 1.00 0.00 C ATOM 843 CG LEU A 71 2.001 -4.928 0.205 1.00 0.00 C ATOM 844 CD1 LEU A 71 2.050 -5.331 1.671 1.00 0.00 C ATOM 845 CD2 LEU A 71 2.077 -3.415 0.065 1.00 0.00 C ATOM 0 H LEU A 71 1.576 -7.507 -0.297 1.00 0.00 H new ATOM 0 HA LEU A 71 2.231 -5.830 -2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.713 -6.218 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.801 -4.829 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 71 1.051 -5.264 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.239 -4.842 2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.942 -6.412 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.005 -5.028 2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.265 -2.956 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.033 -3.061 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.987 -3.142 -0.986 1.00 0.00 H new ATOM 857 N LEU A 72 4.002 -7.108 -3.677 1.00 0.00 N ATOM 858 CA LEU A 72 5.097 -7.766 -4.378 1.00 0.00 C ATOM 859 C LEU A 72 6.373 -6.929 -4.357 1.00 0.00 C ATOM 860 O LEU A 72 7.465 -7.448 -4.577 1.00 0.00 O ATOM 861 CB LEU A 72 4.696 -8.072 -5.820 1.00 0.00 C ATOM 862 CG LEU A 72 3.479 -8.992 -5.988 1.00 0.00 C ATOM 863 CD1 LEU A 72 3.672 -9.921 -7.178 1.00 0.00 C ATOM 864 CD2 LEU A 72 3.216 -9.800 -4.721 1.00 0.00 C ATOM 0 H LEU A 72 3.365 -6.589 -4.281 1.00 0.00 H new ATOM 0 HA LEU A 72 5.305 -8.699 -3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.490 -7.130 -6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.547 -8.528 -6.326 1.00 0.00 H new ATOM 0 HG LEU A 72 2.609 -8.362 -6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.799 -10.566 -7.282 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.796 -9.329 -8.085 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.559 -10.534 -7.021 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.348 -10.442 -4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.087 -10.415 -4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.025 -9.121 -3.890 1.00 0.00 H new ATOM 876 N GLN A 73 6.239 -5.632 -4.100 1.00 0.00 N ATOM 877 CA GLN A 73 7.402 -4.752 -4.065 1.00 0.00 C ATOM 878 C GLN A 73 7.022 -3.339 -3.634 1.00 0.00 C ATOM 879 O GLN A 73 5.893 -2.894 -3.843 1.00 0.00 O ATOM 880 CB GLN A 73 8.076 -4.712 -5.436 1.00 0.00 C ATOM 881 CG GLN A 73 7.147 -4.281 -6.560 1.00 0.00 C ATOM 882 CD GLN A 73 7.659 -3.068 -7.310 1.00 0.00 C ATOM 883 OE1 GLN A 73 8.287 -3.194 -8.363 1.00 0.00 O ATOM 884 NE2 GLN A 73 7.395 -1.884 -6.771 1.00 0.00 N ATOM 0 H GLN A 73 5.348 -5.171 -3.915 1.00 0.00 H new ATOM 0 HA GLN A 73 8.099 -5.154 -3.330 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.924 -4.028 -5.395 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.474 -5.701 -5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.021 -5.108 -7.259 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.163 -4.059 -6.147 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.872 -1.827 -5.897 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.716 -1.032 -7.230 1.00 0.00 H new ATOM 893 N VAL A 74 7.981 -2.639 -3.037 1.00 0.00 N ATOM 894 CA VAL A 74 7.767 -1.276 -2.577 1.00 0.00 C ATOM 895 C VAL A 74 8.796 -0.333 -3.194 1.00 0.00 C ATOM 896 O VAL A 74 9.989 -0.426 -2.906 1.00 0.00 O ATOM 897 CB VAL A 74 7.855 -1.183 -1.043 1.00 0.00 C ATOM 898 CG1 VAL A 74 7.512 0.220 -0.567 1.00 0.00 C ATOM 899 CG2 VAL A 74 6.942 -2.214 -0.393 1.00 0.00 C ATOM 0 H VAL A 74 8.919 -2.998 -2.861 1.00 0.00 H new ATOM 0 HA VAL A 74 6.766 -0.981 -2.891 1.00 0.00 H new ATOM 0 HB VAL A 74 8.881 -1.398 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.581 0.262 0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.212 0.933 -1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.498 0.471 -0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.017 -2.134 0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.912 -2.033 -0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.243 -3.214 -0.705 1.00 0.00 H new ATOM 909 N ASN A 75 8.327 0.565 -4.059 1.00 0.00 N ATOM 910 CA ASN A 75 9.202 1.525 -4.731 1.00 0.00 C ATOM 911 C ASN A 75 9.980 0.847 -5.851 1.00 0.00 C ATOM 912 O ASN A 75 9.894 1.241 -7.014 1.00 0.00 O ATOM 913 CB ASN A 75 10.173 2.173 -3.737 1.00 0.00 C ATOM 914 CG ASN A 75 9.495 2.572 -2.440 1.00 0.00 C ATOM 915 OD1 ASN A 75 9.880 2.124 -1.361 1.00 0.00 O ATOM 916 ND2 ASN A 75 8.477 3.419 -2.541 1.00 0.00 N ATOM 0 H ASN A 75 7.342 0.648 -4.312 1.00 0.00 H new ATOM 0 HA ASN A 75 8.574 2.306 -5.159 1.00 0.00 H new ATOM 0 HB2 ASN A 75 10.984 1.478 -3.520 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.622 3.054 -4.195 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.981 3.723 -1.703 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.191 3.766 -3.457 1.00 0.00 H new ATOM 923 N HIS A 76 10.737 -0.178 -5.485 1.00 0.00 N ATOM 924 CA HIS A 76 11.539 -0.929 -6.443 1.00 0.00 C ATOM 925 C HIS A 76 12.055 -2.232 -5.829 1.00 0.00 C ATOM 926 O HIS A 76 12.523 -3.117 -6.544 1.00 0.00 O ATOM 927 CB HIS A 76 12.715 -0.079 -6.929 1.00 0.00 C ATOM 928 CG HIS A 76 12.482 0.551 -8.268 1.00 0.00 C ATOM 929 ND1 HIS A 76 11.899 -0.117 -9.322 1.00 0.00 N ATOM 930 CD2 HIS A 76 12.761 1.797 -8.721 1.00 0.00 C ATOM 931 CE1 HIS A 76 11.827 0.689 -10.366 1.00 0.00 C ATOM 932 NE2 HIS A 76 12.343 1.856 -10.028 1.00 0.00 N ATOM 0 H HIS A 76 10.813 -0.511 -4.524 1.00 0.00 H new ATOM 0 HA HIS A 76 10.903 -1.180 -7.292 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.914 0.704 -6.197 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.608 -0.703 -6.980 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.225 2.594 -8.160 1.00 0.00 H new ATOM 0 HE1 HIS A 76 11.416 0.436 -11.332 1.00 0.00 H new ATOM 0 HE2 HIS A 76 12.419 2.670 -10.638 1.00 0.00 H new ATOM 941 N VAL A 77 11.967 -2.346 -4.503 1.00 0.00 N ATOM 942 CA VAL A 77 12.427 -3.545 -3.810 1.00 0.00 C ATOM 943 C VAL A 77 11.346 -4.621 -3.797 1.00 0.00 C ATOM 944 O VAL A 77 10.176 -4.335 -3.541 1.00 0.00 O ATOM 945 CB VAL A 77 12.841 -3.231 -2.360 1.00 0.00 C ATOM 946 CG1 VAL A 77 13.499 -4.443 -1.718 1.00 0.00 C ATOM 947 CG2 VAL A 77 13.767 -2.026 -2.317 1.00 0.00 C ATOM 0 H VAL A 77 11.583 -1.625 -3.892 1.00 0.00 H new ATOM 0 HA VAL A 77 13.295 -3.913 -4.356 1.00 0.00 H new ATOM 0 HB VAL A 77 11.944 -2.990 -1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 77 13.785 -4.202 -0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 77 12.798 -5.277 -1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 77 14.387 -4.719 -2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 77 14.048 -1.820 -1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 77 14.663 -2.234 -2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 77 13.255 -1.159 -2.733 1.00 0.00 H new ATOM 957 N ARG A 78 11.747 -5.859 -4.067 1.00 0.00 N ATOM 958 CA ARG A 78 10.810 -6.977 -4.079 1.00 0.00 C ATOM 959 C ARG A 78 10.326 -7.289 -2.667 1.00 0.00 C ATOM 960 O ARG A 78 11.086 -7.187 -1.705 1.00 0.00 O ATOM 961 CB ARG A 78 11.469 -8.214 -4.693 1.00 0.00 C ATOM 962 CG ARG A 78 11.962 -7.997 -6.115 1.00 0.00 C ATOM 963 CD ARG A 78 12.615 -9.249 -6.674 1.00 0.00 C ATOM 964 NE ARG A 78 14.072 -9.196 -6.580 1.00 0.00 N ATOM 965 CZ ARG A 78 14.860 -10.264 -6.680 1.00 0.00 C ATOM 966 NH1 ARG A 78 14.337 -11.469 -6.875 1.00 0.00 N ATOM 967 NH2 ARG A 78 16.176 -10.128 -6.584 1.00 0.00 N ATOM 0 H ARG A 78 12.712 -6.113 -4.280 1.00 0.00 H new ATOM 0 HA ARG A 78 9.949 -6.696 -4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.309 -8.516 -4.068 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.755 -9.037 -4.686 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.126 -7.706 -6.751 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.676 -7.174 -6.132 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.248 -10.121 -6.133 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.323 -9.375 -7.717 1.00 0.00 H new ATOM 0 HE ARG A 78 14.511 -8.288 -6.429 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.326 -11.580 -6.949 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.947 -12.283 -6.951 1.00 0.00 H new ATOM 0 HH21 ARG A 78 16.584 -9.205 -6.434 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.780 -10.946 -6.661 1.00 0.00 H new ATOM 981 N THR A 79 9.055 -7.662 -2.548 1.00 0.00 N ATOM 982 CA THR A 79 8.476 -7.982 -1.249 1.00 0.00 C ATOM 983 C THR A 79 7.433 -9.092 -1.355 1.00 0.00 C ATOM 984 O THR A 79 6.613 -9.268 -0.454 1.00 0.00 O ATOM 985 CB THR A 79 7.843 -6.732 -0.634 1.00 0.00 C ATOM 986 OG1 THR A 79 6.866 -6.186 -1.504 1.00 0.00 O ATOM 987 CG2 THR A 79 8.846 -5.642 -0.327 1.00 0.00 C ATOM 0 H THR A 79 8.409 -7.750 -3.333 1.00 0.00 H new ATOM 0 HA THR A 79 9.281 -8.338 -0.606 1.00 0.00 H new ATOM 0 HB THR A 79 7.396 -7.065 0.303 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.048 -6.724 -1.456 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.331 -4.785 0.107 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.586 -6.017 0.381 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.346 -5.338 -1.247 1.00 0.00 H new ATOM 995 N ARG A 80 7.466 -9.844 -2.452 1.00 0.00 N ATOM 996 CA ARG A 80 6.518 -10.935 -2.650 1.00 0.00 C ATOM 997 C ARG A 80 6.747 -12.033 -1.617 1.00 0.00 C ATOM 998 O ARG A 80 5.817 -12.463 -0.935 1.00 0.00 O ATOM 999 CB ARG A 80 6.644 -11.513 -4.062 1.00 0.00 C ATOM 1000 CG ARG A 80 6.572 -10.462 -5.161 1.00 0.00 C ATOM 1001 CD ARG A 80 7.528 -10.779 -6.301 1.00 0.00 C ATOM 1002 NE ARG A 80 8.870 -11.101 -5.819 1.00 0.00 N ATOM 1003 CZ ARG A 80 9.767 -11.784 -6.525 1.00 0.00 C ATOM 1004 NH1 ARG A 80 9.478 -12.208 -7.749 1.00 0.00 N ATOM 1005 NH2 ARG A 80 10.960 -12.042 -6.008 1.00 0.00 N ATOM 0 H ARG A 80 8.134 -9.719 -3.212 1.00 0.00 H new ATOM 0 HA ARG A 80 5.511 -10.536 -2.525 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.591 -12.047 -4.143 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.851 -12.244 -4.218 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.553 -10.405 -5.545 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.812 -9.483 -4.746 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.139 -11.619 -6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.581 -9.926 -6.977 1.00 0.00 H new ATOM 0 HE ARG A 80 9.134 -10.783 -4.886 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.563 -12.011 -8.154 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.171 -12.731 -8.284 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.190 -11.717 -5.069 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.648 -12.566 -6.549 1.00 0.00 H new ATOM 1019 N ASP A 81 7.995 -12.481 -1.507 1.00 0.00 N ATOM 1020 CA ASP A 81 8.352 -13.527 -0.555 1.00 0.00 C ATOM 1021 C ASP A 81 8.844 -12.931 0.763 1.00 0.00 C ATOM 1022 O ASP A 81 9.536 -13.598 1.533 1.00 0.00 O ATOM 1023 CB ASP A 81 9.429 -14.435 -1.150 1.00 0.00 C ATOM 1024 CG ASP A 81 9.364 -15.847 -0.600 1.00 0.00 C ATOM 1025 OD1 ASP A 81 8.252 -16.297 -0.252 1.00 0.00 O ATOM 1026 OD2 ASP A 81 10.425 -16.501 -0.516 1.00 0.00 O ATOM 0 H ASP A 81 8.775 -12.136 -2.066 1.00 0.00 H new ATOM 0 HA ASP A 81 7.457 -14.115 -0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.317 -14.465 -2.234 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.412 -14.012 -0.943 1.00 0.00 H new ATOM 1031 N PHE A 82 8.485 -11.675 1.022 1.00 0.00 N ATOM 1032 CA PHE A 82 8.892 -11.003 2.249 1.00 0.00 C ATOM 1033 C PHE A 82 7.984 -11.395 3.408 1.00 0.00 C ATOM 1034 O PHE A 82 6.942 -12.019 3.209 1.00 0.00 O ATOM 1035 CB PHE A 82 8.866 -9.483 2.055 1.00 0.00 C ATOM 1036 CG PHE A 82 10.185 -8.901 1.631 1.00 0.00 C ATOM 1037 CD1 PHE A 82 11.053 -9.621 0.824 1.00 0.00 C ATOM 1038 CD2 PHE A 82 10.558 -7.630 2.040 1.00 0.00 C ATOM 1039 CE1 PHE A 82 12.266 -9.085 0.434 1.00 0.00 C ATOM 1040 CE2 PHE A 82 11.769 -7.089 1.653 1.00 0.00 C ATOM 1041 CZ PHE A 82 12.624 -7.819 0.849 1.00 0.00 C ATOM 0 H PHE A 82 7.914 -11.105 0.398 1.00 0.00 H new ATOM 0 HA PHE A 82 9.909 -11.315 2.486 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.113 -9.235 1.307 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.555 -9.013 2.988 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.778 -10.613 0.496 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.894 -7.056 2.669 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.933 -9.657 -0.195 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.047 -6.097 1.978 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.572 -7.399 0.546 1.00 0.00 H new ATOM 1051 N ASP A 83 8.385 -11.025 4.618 1.00 0.00 N ATOM 1052 CA ASP A 83 7.604 -11.338 5.809 1.00 0.00 C ATOM 1053 C ASP A 83 6.979 -10.076 6.389 1.00 0.00 C ATOM 1054 O ASP A 83 7.424 -8.964 6.104 1.00 0.00 O ATOM 1055 CB ASP A 83 8.486 -12.014 6.862 1.00 0.00 C ATOM 1056 CG ASP A 83 7.727 -13.047 7.673 1.00 0.00 C ATOM 1057 OD1 ASP A 83 7.147 -13.970 7.066 1.00 0.00 O ATOM 1058 OD2 ASP A 83 7.714 -12.930 8.917 1.00 0.00 O ATOM 0 H ASP A 83 9.245 -10.508 4.801 1.00 0.00 H new ATOM 0 HA ASP A 83 6.806 -12.023 5.522 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.333 -12.492 6.370 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.893 -11.257 7.532 1.00 0.00 H new ATOM 1063 N CYS A 84 5.943 -10.251 7.204 1.00 0.00 N ATOM 1064 CA CYS A 84 5.258 -9.121 7.823 1.00 0.00 C ATOM 1065 C CYS A 84 6.255 -8.204 8.524 1.00 0.00 C ATOM 1066 O CYS A 84 6.054 -6.992 8.600 1.00 0.00 O ATOM 1067 CB CYS A 84 4.212 -9.616 8.823 1.00 0.00 C ATOM 1068 SG CYS A 84 4.882 -10.680 10.123 1.00 0.00 S ATOM 0 H CYS A 84 5.560 -11.163 7.451 1.00 0.00 H new ATOM 0 HA CYS A 84 4.757 -8.555 7.038 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.730 -8.755 9.285 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.438 -10.162 8.283 1.00 0.00 H new ATOM 0 HG CYS A 84 4.883 -11.915 9.716 1.00 0.00 H new ATOM 1074 N CYS A 85 7.332 -8.794 9.032 1.00 0.00 N ATOM 1075 CA CYS A 85 8.361 -8.039 9.723 1.00 0.00 C ATOM 1076 C CYS A 85 9.169 -7.185 8.747 1.00 0.00 C ATOM 1077 O CYS A 85 9.796 -6.203 9.143 1.00 0.00 O ATOM 1078 CB CYS A 85 9.292 -8.986 10.486 1.00 0.00 C ATOM 1079 SG CYS A 85 9.317 -8.711 12.273 1.00 0.00 S ATOM 0 H CYS A 85 7.512 -9.796 8.976 1.00 0.00 H new ATOM 0 HA CYS A 85 7.869 -7.373 10.432 1.00 0.00 H new ATOM 0 HB2 CYS A 85 8.987 -10.014 10.291 1.00 0.00 H new ATOM 0 HB3 CYS A 85 10.304 -8.875 10.097 1.00 0.00 H new ATOM 0 HG CYS A 85 10.129 -9.559 12.831 1.00 0.00 H new ATOM 1085 N LEU A 86 9.150 -7.564 7.471 1.00 0.00 N ATOM 1086 CA LEU A 86 9.882 -6.832 6.444 1.00 0.00 C ATOM 1087 C LEU A 86 8.956 -5.879 5.693 1.00 0.00 C ATOM 1088 O LEU A 86 9.378 -4.819 5.223 1.00 0.00 O ATOM 1089 CB LEU A 86 10.532 -7.807 5.461 1.00 0.00 C ATOM 1090 CG LEU A 86 11.920 -8.304 5.865 1.00 0.00 C ATOM 1091 CD1 LEU A 86 11.809 -9.434 6.875 1.00 0.00 C ATOM 1092 CD2 LEU A 86 12.701 -8.757 4.640 1.00 0.00 C ATOM 0 H LEU A 86 8.635 -8.374 7.125 1.00 0.00 H new ATOM 0 HA LEU A 86 10.660 -6.246 6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.875 -8.669 5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.605 -7.323 4.487 1.00 0.00 H new ATOM 0 HG LEU A 86 12.459 -7.479 6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.807 -9.775 7.151 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.289 -9.078 7.764 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.252 -10.261 6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.687 -9.108 4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.165 -9.567 4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.812 -7.921 3.949 1.00 0.00 H new ATOM 1104 N VAL A 87 7.685 -6.260 5.594 1.00 0.00 N ATOM 1105 CA VAL A 87 6.697 -5.445 4.907 1.00 0.00 C ATOM 1106 C VAL A 87 6.205 -4.302 5.790 1.00 0.00 C ATOM 1107 O VAL A 87 5.937 -3.206 5.299 1.00 0.00 O ATOM 1108 CB VAL A 87 5.493 -6.292 4.458 1.00 0.00 C ATOM 1109 CG1 VAL A 87 4.524 -5.455 3.634 1.00 0.00 C ATOM 1110 CG2 VAL A 87 5.964 -7.506 3.669 1.00 0.00 C ATOM 0 H VAL A 87 7.319 -7.129 5.982 1.00 0.00 H new ATOM 0 HA VAL A 87 7.188 -5.026 4.029 1.00 0.00 H new ATOM 0 HB VAL A 87 4.966 -6.642 5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.680 -6.073 3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.163 -4.620 4.234 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.034 -5.072 2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.101 -8.095 3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.514 -7.176 2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.614 -8.117 4.295 1.00 0.00 H new ATOM 1120 N VAL A 88 6.082 -4.556 7.092 1.00 0.00 N ATOM 1121 CA VAL A 88 5.617 -3.524 8.007 1.00 0.00 C ATOM 1122 C VAL A 88 6.597 -2.347 8.078 1.00 0.00 C ATOM 1123 O VAL A 88 6.168 -1.193 8.103 1.00 0.00 O ATOM 1124 CB VAL A 88 5.312 -4.076 9.425 1.00 0.00 C ATOM 1125 CG1 VAL A 88 6.575 -4.337 10.229 1.00 0.00 C ATOM 1126 CG2 VAL A 88 4.393 -3.121 10.172 1.00 0.00 C ATOM 0 H VAL A 88 6.295 -5.453 7.528 1.00 0.00 H new ATOM 0 HA VAL A 88 4.676 -3.157 7.598 1.00 0.00 H new ATOM 0 HB VAL A 88 4.811 -5.036 9.299 1.00 0.00 H new ATOM 0 HG11 VAL A 88 6.307 -4.722 11.213 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.193 -5.069 9.709 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.133 -3.407 10.343 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.186 -3.518 11.166 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.876 -2.148 10.264 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.458 -3.011 9.623 1.00 0.00 H new ATOM 1136 N PRO A 89 7.928 -2.597 8.080 1.00 0.00 N ATOM 1137 CA PRO A 89 8.911 -1.517 8.115 1.00 0.00 C ATOM 1138 C PRO A 89 9.008 -0.816 6.767 1.00 0.00 C ATOM 1139 O PRO A 89 8.989 0.413 6.693 1.00 0.00 O ATOM 1140 CB PRO A 89 10.219 -2.232 8.445 1.00 0.00 C ATOM 1141 CG PRO A 89 10.044 -3.597 7.880 1.00 0.00 C ATOM 1142 CD PRO A 89 8.579 -3.923 8.021 1.00 0.00 C ATOM 0 HA PRO A 89 8.654 -0.740 8.835 1.00 0.00 H new ATOM 0 HB2 PRO A 89 11.074 -1.723 7.999 1.00 0.00 H new ATOM 0 HB3 PRO A 89 10.394 -2.266 9.520 1.00 0.00 H new ATOM 0 HG2 PRO A 89 10.351 -3.628 6.835 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.658 -4.322 8.415 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.216 -4.510 7.177 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.383 -4.505 8.921 1.00 0.00 H new ATOM 1150 N LEU A 90 9.096 -1.606 5.695 1.00 0.00 N ATOM 1151 CA LEU A 90 9.177 -1.053 4.351 1.00 0.00 C ATOM 1152 C LEU A 90 7.981 -0.146 4.080 1.00 0.00 C ATOM 1153 O LEU A 90 8.065 0.800 3.298 1.00 0.00 O ATOM 1154 CB LEU A 90 9.228 -2.176 3.314 1.00 0.00 C ATOM 1155 CG LEU A 90 10.521 -2.995 3.308 1.00 0.00 C ATOM 1156 CD1 LEU A 90 10.354 -4.253 2.467 1.00 0.00 C ATOM 1157 CD2 LEU A 90 11.679 -2.152 2.792 1.00 0.00 C ATOM 0 H LEU A 90 9.113 -2.625 5.736 1.00 0.00 H new ATOM 0 HA LEU A 90 10.091 -0.464 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.390 -2.850 3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.086 -1.742 2.324 1.00 0.00 H new ATOM 0 HG LEU A 90 10.744 -3.298 4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.284 -4.822 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.551 -4.863 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 90 10.107 -3.975 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.592 -2.748 2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.464 -1.821 1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.812 -1.283 3.436 1.00 0.00 H new ATOM 1169 N ILE A 91 6.868 -0.444 4.746 1.00 0.00 N ATOM 1170 CA ILE A 91 5.647 0.334 4.596 1.00 0.00 C ATOM 1171 C ILE A 91 5.756 1.659 5.352 1.00 0.00 C ATOM 1172 O ILE A 91 5.461 2.722 4.807 1.00 0.00 O ATOM 1173 CB ILE A 91 4.421 -0.466 5.105 1.00 0.00 C ATOM 1174 CG1 ILE A 91 3.994 -1.492 4.055 1.00 0.00 C ATOM 1175 CG2 ILE A 91 3.253 0.451 5.460 1.00 0.00 C ATOM 1176 CD1 ILE A 91 2.983 -2.495 4.569 1.00 0.00 C ATOM 0 H ILE A 91 6.790 -1.224 5.398 1.00 0.00 H new ATOM 0 HA ILE A 91 5.511 0.545 3.535 1.00 0.00 H new ATOM 0 HB ILE A 91 4.716 -0.985 6.017 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.571 -0.969 3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.876 -2.026 3.700 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.414 -0.149 5.812 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.559 1.143 6.244 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.951 1.014 4.577 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.725 -3.192 3.772 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.410 -3.045 5.408 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.085 -1.971 4.898 1.00 0.00 H new ATOM 1188 N ALA A 92 6.177 1.581 6.609 1.00 0.00 N ATOM 1189 CA ALA A 92 6.319 2.761 7.445 1.00 0.00 C ATOM 1190 C ALA A 92 7.626 3.506 7.170 1.00 0.00 C ATOM 1191 O ALA A 92 7.887 4.547 7.773 1.00 0.00 O ATOM 1192 CB ALA A 92 6.234 2.375 8.914 1.00 0.00 C ATOM 0 H ALA A 92 6.427 0.707 7.071 1.00 0.00 H new ATOM 0 HA ALA A 92 5.500 3.437 7.199 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.342 3.267 9.531 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.268 1.910 9.113 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.031 1.671 9.152 1.00 0.00 H new ATOM 1198 N GLU A 93 8.453 2.967 6.276 1.00 0.00 N ATOM 1199 CA GLU A 93 9.734 3.593 5.957 1.00 0.00 C ATOM 1200 C GLU A 93 9.691 4.343 4.628 1.00 0.00 C ATOM 1201 O GLU A 93 10.599 5.113 4.315 1.00 0.00 O ATOM 1202 CB GLU A 93 10.844 2.541 5.923 1.00 0.00 C ATOM 1203 CG GLU A 93 11.433 2.239 7.291 1.00 0.00 C ATOM 1204 CD GLU A 93 12.903 2.597 7.389 1.00 0.00 C ATOM 1205 OE1 GLU A 93 13.596 2.547 6.350 1.00 0.00 O ATOM 1206 OE2 GLU A 93 13.361 2.927 8.503 1.00 0.00 O ATOM 0 H GLU A 93 8.261 2.106 5.764 1.00 0.00 H new ATOM 0 HA GLU A 93 9.943 4.320 6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.448 1.620 5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.639 2.884 5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.878 2.790 8.050 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.306 1.179 7.510 1.00 0.00 H new ATOM 1213 N SER A 94 8.641 4.118 3.851 1.00 0.00 N ATOM 1214 CA SER A 94 8.500 4.782 2.559 1.00 0.00 C ATOM 1215 C SER A 94 8.330 6.291 2.723 1.00 0.00 C ATOM 1216 O SER A 94 8.459 7.046 1.760 1.00 0.00 O ATOM 1217 CB SER A 94 7.314 4.204 1.786 1.00 0.00 C ATOM 1218 OG SER A 94 7.624 4.062 0.411 1.00 0.00 O ATOM 0 H SER A 94 7.877 3.485 4.089 1.00 0.00 H new ATOM 0 HA SER A 94 9.415 4.602 1.995 1.00 0.00 H new ATOM 0 HB2 SER A 94 7.042 3.234 2.203 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.448 4.855 1.902 1.00 0.00 H new ATOM 0 HG SER A 94 8.113 3.225 0.271 1.00 0.00 H new ATOM 1224 N GLY A 95 8.042 6.722 3.946 1.00 0.00 N ATOM 1225 CA GLY A 95 7.863 8.137 4.211 1.00 0.00 C ATOM 1226 C GLY A 95 6.421 8.582 4.054 1.00 0.00 C ATOM 1227 O GLY A 95 5.496 7.832 4.365 1.00 0.00 O ATOM 0 H GLY A 95 7.929 6.116 4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.200 8.359 5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.493 8.712 3.533 1.00 0.00 H new ATOM 1231 N ASN A 96 6.232 9.805 3.572 1.00 0.00 N ATOM 1232 CA ASN A 96 4.894 10.352 3.375 1.00 0.00 C ATOM 1233 C ASN A 96 4.204 9.716 2.170 1.00 0.00 C ATOM 1234 O ASN A 96 2.989 9.827 2.014 1.00 0.00 O ATOM 1235 CB ASN A 96 4.965 11.871 3.192 1.00 0.00 C ATOM 1236 CG ASN A 96 5.242 12.598 4.493 1.00 0.00 C ATOM 1237 OD1 ASN A 96 6.172 13.399 4.583 1.00 0.00 O ATOM 1238 ND2 ASN A 96 4.435 12.323 5.509 1.00 0.00 N ATOM 0 H ASN A 96 6.988 10.437 3.310 1.00 0.00 H new ATOM 0 HA ASN A 96 4.306 10.122 4.264 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.747 12.111 2.471 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.024 12.228 2.773 1.00 0.00 H new ATOM 0 HD21 ASN A 96 4.573 12.783 6.409 1.00 0.00 H new ATOM 0 HD22 ASN A 96 3.676 11.652 5.390 1.00 0.00 H new ATOM 1245 N LYS A 97 4.983 9.053 1.320 1.00 0.00 N ATOM 1246 CA LYS A 97 4.439 8.402 0.133 1.00 0.00 C ATOM 1247 C LYS A 97 4.842 6.932 0.089 1.00 0.00 C ATOM 1248 O LYS A 97 5.977 6.582 0.413 1.00 0.00 O ATOM 1249 CB LYS A 97 4.923 9.115 -1.132 1.00 0.00 C ATOM 1250 CG LYS A 97 3.976 10.199 -1.621 1.00 0.00 C ATOM 1251 CD LYS A 97 4.382 10.717 -2.992 1.00 0.00 C ATOM 1252 CE LYS A 97 4.216 9.650 -4.063 1.00 0.00 C ATOM 1253 NZ LYS A 97 3.155 10.010 -5.045 1.00 0.00 N ATOM 0 H LYS A 97 5.992 8.953 1.431 1.00 0.00 H new ATOM 0 HA LYS A 97 3.352 8.461 0.181 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.900 9.558 -0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.059 8.379 -1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.961 9.804 -1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.966 11.023 -0.908 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.777 11.587 -3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.420 11.048 -2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.162 9.510 -4.586 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.968 8.699 -3.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.186 9.349 -5.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.224 9.954 -4.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.314 10.979 -5.388 1.00 0.00 H new ATOM 1267 N LEU A 98 3.909 6.074 -0.315 1.00 0.00 N ATOM 1268 CA LEU A 98 4.180 4.643 -0.397 1.00 0.00 C ATOM 1269 C LEU A 98 3.748 4.078 -1.747 1.00 0.00 C ATOM 1270 O LEU A 98 2.582 3.742 -1.943 1.00 0.00 O ATOM 1271 CB LEU A 98 3.455 3.897 0.728 1.00 0.00 C ATOM 1272 CG LEU A 98 4.332 2.974 1.578 1.00 0.00 C ATOM 1273 CD1 LEU A 98 3.471 2.121 2.492 1.00 0.00 C ATOM 1274 CD2 LEU A 98 5.202 2.091 0.696 1.00 0.00 C ATOM 0 H LEU A 98 2.964 6.343 -0.589 1.00 0.00 H new ATOM 0 HA LEU A 98 5.255 4.502 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.987 4.631 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.652 3.304 0.289 1.00 0.00 H new ATOM 0 HG LEU A 98 4.986 3.595 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.109 1.470 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.891 2.766 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.794 1.513 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.816 1.444 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.567 1.479 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.847 2.716 0.078 1.00 0.00 H new ATOM 1286 N ASP A 99 4.699 3.954 -2.664 1.00 0.00 N ATOM 1287 CA ASP A 99 4.412 3.407 -3.983 1.00 0.00 C ATOM 1288 C ASP A 99 4.800 1.935 -4.026 1.00 0.00 C ATOM 1289 O ASP A 99 5.963 1.590 -3.826 1.00 0.00 O ATOM 1290 CB ASP A 99 5.169 4.183 -5.063 1.00 0.00 C ATOM 1291 CG ASP A 99 4.824 5.660 -5.064 1.00 0.00 C ATOM 1292 OD1 ASP A 99 4.350 6.158 -4.022 1.00 0.00 O ATOM 1293 OD2 ASP A 99 5.028 6.316 -6.106 1.00 0.00 O ATOM 0 H ASP A 99 5.672 4.224 -2.519 1.00 0.00 H new ATOM 0 HA ASP A 99 3.344 3.502 -4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 99 6.241 4.063 -4.908 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.939 3.758 -6.040 1.00 0.00 H new ATOM 1298 N LEU A 100 3.823 1.068 -4.267 1.00 0.00 N ATOM 1299 CA LEU A 100 4.090 -0.367 -4.306 1.00 0.00 C ATOM 1300 C LEU A 100 3.199 -1.093 -5.309 1.00 0.00 C ATOM 1301 O LEU A 100 2.130 -0.609 -5.680 1.00 0.00 O ATOM 1302 CB LEU A 100 3.886 -0.971 -2.915 1.00 0.00 C ATOM 1303 CG LEU A 100 2.599 -0.542 -2.207 1.00 0.00 C ATOM 1304 CD1 LEU A 100 1.430 -1.410 -2.648 1.00 0.00 C ATOM 1305 CD2 LEU A 100 2.775 -0.603 -0.697 1.00 0.00 C ATOM 0 H LEU A 100 2.851 1.327 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 100 5.124 -0.496 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.890 -2.057 -3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.736 -0.699 -2.289 1.00 0.00 H new ATOM 0 HG LEU A 100 2.381 0.489 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.524 -1.089 -2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.290 -1.312 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.637 -2.452 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.850 -0.295 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.019 -1.623 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.583 0.065 -0.398 1.00 0.00 H new ATOM 1317 N VAL A 101 3.651 -2.273 -5.727 1.00 0.00 N ATOM 1318 CA VAL A 101 2.907 -3.100 -6.668 1.00 0.00 C ATOM 1319 C VAL A 101 2.446 -4.383 -5.987 1.00 0.00 C ATOM 1320 O VAL A 101 3.259 -5.250 -5.663 1.00 0.00 O ATOM 1321 CB VAL A 101 3.759 -3.458 -7.901 1.00 0.00 C ATOM 1322 CG1 VAL A 101 2.904 -4.123 -8.970 1.00 0.00 C ATOM 1323 CG2 VAL A 101 4.448 -2.218 -8.454 1.00 0.00 C ATOM 0 H VAL A 101 4.537 -2.679 -5.425 1.00 0.00 H new ATOM 0 HA VAL A 101 2.043 -2.525 -7.000 1.00 0.00 H new ATOM 0 HB VAL A 101 4.528 -4.166 -7.593 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.525 -4.368 -9.832 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.464 -5.036 -8.568 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.110 -3.442 -9.276 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.045 -2.491 -9.324 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.697 -1.484 -8.745 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.096 -1.790 -7.689 1.00 0.00 H new ATOM 1333 N ILE A 102 1.143 -4.491 -5.757 1.00 0.00 N ATOM 1334 CA ILE A 102 0.581 -5.661 -5.093 1.00 0.00 C ATOM 1335 C ILE A 102 -0.213 -6.526 -6.068 1.00 0.00 C ATOM 1336 O ILE A 102 -0.491 -6.113 -7.190 1.00 0.00 O ATOM 1337 CB ILE A 102 -0.346 -5.240 -3.935 1.00 0.00 C ATOM 1338 CG1 ILE A 102 -1.622 -4.612 -4.495 1.00 0.00 C ATOM 1339 CG2 ILE A 102 0.365 -4.269 -2.998 1.00 0.00 C ATOM 1340 CD1 ILE A 102 -2.752 -5.603 -4.661 1.00 0.00 C ATOM 0 H ILE A 102 0.457 -3.784 -6.020 1.00 0.00 H new ATOM 0 HA ILE A 102 1.418 -6.240 -4.703 1.00 0.00 H new ATOM 0 HB ILE A 102 -0.612 -6.126 -3.359 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.946 -3.810 -3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.402 -4.157 -5.461 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.308 -3.986 -2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.251 -4.748 -2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.660 -3.378 -3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.628 -5.093 -5.062 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.446 -6.392 -5.348 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.998 -6.039 -3.693 1.00 0.00 H new ATOM 1352 N SER A 103 -0.588 -7.723 -5.625 1.00 0.00 N ATOM 1353 CA SER A 103 -1.362 -8.638 -6.455 1.00 0.00 C ATOM 1354 C SER A 103 -2.573 -9.171 -5.693 1.00 0.00 C ATOM 1355 O SER A 103 -2.441 -9.687 -4.584 1.00 0.00 O ATOM 1356 CB SER A 103 -0.490 -9.804 -6.929 1.00 0.00 C ATOM 1357 OG SER A 103 0.876 -9.577 -6.636 1.00 0.00 O ATOM 0 H SER A 103 -0.368 -8.081 -4.696 1.00 0.00 H new ATOM 0 HA SER A 103 -1.714 -8.084 -7.325 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.819 -10.726 -6.449 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.616 -9.942 -8.003 1.00 0.00 H new ATOM 0 HG SER A 103 0.981 -9.411 -5.676 1.00 0.00 H new ATOM 1363 N ARG A 104 -3.752 -9.049 -6.298 1.00 0.00 N ATOM 1364 CA ARG A 104 -4.981 -9.527 -5.675 1.00 0.00 C ATOM 1365 C ARG A 104 -5.905 -10.165 -6.710 1.00 0.00 C ATOM 1366 O ARG A 104 -6.018 -9.684 -7.837 1.00 0.00 O ATOM 1367 CB ARG A 104 -5.702 -8.379 -4.959 1.00 0.00 C ATOM 1368 CG ARG A 104 -6.390 -7.396 -5.896 1.00 0.00 C ATOM 1369 CD ARG A 104 -5.385 -6.557 -6.666 1.00 0.00 C ATOM 1370 NE ARG A 104 -5.755 -5.144 -6.687 1.00 0.00 N ATOM 1371 CZ ARG A 104 -6.621 -4.616 -7.552 1.00 0.00 C ATOM 1372 NH1 ARG A 104 -7.211 -5.380 -8.464 1.00 0.00 N ATOM 1373 NH2 ARG A 104 -6.900 -3.321 -7.502 1.00 0.00 N ATOM 0 H ARG A 104 -3.881 -8.624 -7.216 1.00 0.00 H new ATOM 0 HA ARG A 104 -4.713 -10.286 -4.940 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.445 -8.798 -4.280 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -4.981 -7.837 -4.347 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.021 -7.942 -6.597 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.045 -6.742 -5.320 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -4.399 -6.667 -6.214 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -5.311 -6.928 -7.688 1.00 0.00 H new ATOM 0 HE ARG A 104 -5.325 -4.525 -5.999 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -7.003 -6.378 -8.506 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.873 -4.969 -9.123 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -6.452 -2.729 -6.802 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.562 -2.916 -8.163 1.00 0.00 H new ATOM 1387 N ASN A 105 -6.568 -11.250 -6.318 1.00 0.00 N ATOM 1388 CA ASN A 105 -7.483 -11.950 -7.212 1.00 0.00 C ATOM 1389 C ASN A 105 -8.752 -11.129 -7.440 1.00 0.00 C ATOM 1390 O ASN A 105 -9.317 -10.578 -6.495 1.00 0.00 O ATOM 1391 CB ASN A 105 -7.848 -13.320 -6.633 1.00 0.00 C ATOM 1392 CG ASN A 105 -6.727 -14.329 -6.783 1.00 0.00 C ATOM 1393 OD1 ASN A 105 -5.556 -14.008 -6.583 1.00 0.00 O ATOM 1394 ND2 ASN A 105 -7.082 -15.560 -7.136 1.00 0.00 N ATOM 0 H ASN A 105 -6.488 -11.662 -5.388 1.00 0.00 H new ATOM 0 HA ASN A 105 -6.981 -12.089 -8.170 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.096 -13.211 -5.577 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -8.741 -13.696 -7.133 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -6.371 -16.282 -7.251 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -8.065 -15.782 -7.292 1.00 0.00 H new ATOM 1401 N PRO A 106 -9.221 -11.035 -8.698 1.00 0.00 N ATOM 1402 CA PRO A 106 -10.429 -10.274 -9.031 1.00 0.00 C ATOM 1403 C PRO A 106 -11.636 -10.717 -8.209 1.00 0.00 C ATOM 1404 O PRO A 106 -11.772 -11.934 -7.968 1.00 0.00 O ATOM 1405 CB PRO A 106 -10.652 -10.581 -10.514 1.00 0.00 C ATOM 1406 CG PRO A 106 -9.307 -10.959 -11.028 1.00 0.00 C ATOM 1407 CD PRO A 106 -8.616 -11.657 -9.891 1.00 0.00 C ATOM 1408 OXT PRO A 106 -12.434 -9.841 -7.812 1.00 0.00 O ATOM 0 HA PRO A 106 -10.311 -9.212 -8.817 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -11.369 -11.391 -10.647 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -11.049 -9.714 -11.043 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.390 -11.613 -11.896 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.748 -10.079 -11.344 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.787 -12.733 -9.915 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.537 -11.505 -9.921 1.00 0.00 H new