USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 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 16 HIS :FLIP no HE2:sc= -0.89 F(o=-3.2,f=-2) USER MOD Set 1.2: A 27 TYR OH : rot 153:sc= -1.12! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -7.36! C(o=-7.4!,f=-11!) USER MOD Single : A 10 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.204) USER MOD Single : A 12 CYS SG : rot -10:sc= -4.48! USER MOD Single : A 13 MET CE :methyl -156:sc= -1.1 (180deg=-1.69!) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -6.23! USER MOD Single : A 21 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0172) USER MOD Single : A 22 MET CE :methyl 165:sc= -0.328 (180deg=-0.95) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0734 X(o=-0.073,f=-0.11) USER MOD Single : A 43 TYR OH : rot 180:sc= 0.471 USER MOD Single : A 46 GLN : amide:sc= -0.243 K(o=-0.24,f=-2.9!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 74:sc= 0.5 USER MOD Single : A 53 GLN : amide:sc= -1.77! C(o=-1.8!,f=-2.6!) USER MOD Single : A 61 MET CE :methyl -117:sc= -3.52! (180deg=-7.43!) USER MOD Single : A 64 ASN :FLIP amide:sc= -1.3 F(o=-3.5!,f=-1.3) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.403 X(o=-0.4,f=0) USER MOD Single : A 73 THR OG1 : rot 85:sc= 0.356 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -39:sc= 0.134 USER MOD ----------------------------------------------------------------- ATOM 30 N PRO A 3 67.073 12.244 2.789 1.00 0.00 N ATOM 31 CA PRO A 3 66.963 10.838 2.342 1.00 0.00 C ATOM 32 C PRO A 3 65.862 10.700 1.291 1.00 0.00 C ATOM 33 O PRO A 3 66.064 10.137 0.235 1.00 0.00 O ATOM 34 CB PRO A 3 66.595 10.100 3.632 1.00 0.00 C ATOM 35 CG PRO A 3 66.510 11.123 4.781 1.00 0.00 C ATOM 36 CD PRO A 3 66.831 12.519 4.226 1.00 0.00 C ATOM 0 HA PRO A 3 67.869 10.452 1.875 1.00 0.00 H new ATOM 0 HB2 PRO A 3 65.642 9.585 3.514 1.00 0.00 H new ATOM 0 HB3 PRO A 3 67.342 9.339 3.858 1.00 0.00 H new ATOM 0 HG2 PRO A 3 65.514 11.112 5.223 1.00 0.00 H new ATOM 0 HG3 PRO A 3 67.212 10.861 5.572 1.00 0.00 H new ATOM 0 HD2 PRO A 3 66.004 13.214 4.373 1.00 0.00 H new ATOM 0 HD3 PRO A 3 67.705 12.957 4.708 1.00 0.00 H new ATOM 44 N GLU A 4 64.701 11.218 1.569 1.00 0.00 N ATOM 45 CA GLU A 4 63.594 11.125 0.576 1.00 0.00 C ATOM 46 C GLU A 4 64.086 11.641 -0.776 1.00 0.00 C ATOM 47 O GLU A 4 63.891 11.016 -1.804 1.00 0.00 O ATOM 48 CB GLU A 4 62.482 12.021 1.125 1.00 0.00 C ATOM 49 CG GLU A 4 61.158 11.659 0.449 1.00 0.00 C ATOM 50 CD GLU A 4 60.408 12.939 0.073 1.00 0.00 C ATOM 51 OE1 GLU A 4 61.064 13.907 -0.273 1.00 0.00 O ATOM 52 OE2 GLU A 4 59.190 12.928 0.138 1.00 0.00 O ATOM 0 H GLU A 4 64.469 11.701 2.437 1.00 0.00 H new ATOM 0 HA GLU A 4 63.244 10.103 0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 4 62.398 11.895 2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 4 62.721 13.069 0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 4 61.345 11.060 -0.442 1.00 0.00 H new ATOM 0 HG3 GLU A 4 60.549 11.052 1.120 1.00 0.00 H new ATOM 59 N VAL A 5 64.739 12.770 -0.781 1.00 0.00 N ATOM 60 CA VAL A 5 65.261 13.317 -2.061 1.00 0.00 C ATOM 61 C VAL A 5 65.995 12.208 -2.812 1.00 0.00 C ATOM 62 O VAL A 5 65.880 12.070 -4.012 1.00 0.00 O ATOM 63 CB VAL A 5 66.227 14.430 -1.655 1.00 0.00 C ATOM 64 CG1 VAL A 5 66.783 15.106 -2.909 1.00 0.00 C ATOM 65 CG2 VAL A 5 65.485 15.465 -0.806 1.00 0.00 C ATOM 0 H VAL A 5 64.933 13.336 0.045 1.00 0.00 H new ATOM 0 HA VAL A 5 64.476 13.694 -2.716 1.00 0.00 H new ATOM 0 HB VAL A 5 67.047 14.005 -1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 5 67.472 15.900 -2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 5 67.311 14.370 -3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 5 65.963 15.531 -3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 5 66.173 16.259 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 5 64.665 15.889 -1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 5 65.088 14.985 0.088 1.00 0.00 H new ATOM 75 N LEU A 6 66.739 11.405 -2.102 1.00 0.00 N ATOM 76 CA LEU A 6 67.474 10.286 -2.756 1.00 0.00 C ATOM 77 C LEU A 6 66.478 9.283 -3.334 1.00 0.00 C ATOM 78 O LEU A 6 66.664 8.753 -4.411 1.00 0.00 O ATOM 79 CB LEU A 6 68.287 9.632 -1.636 1.00 0.00 C ATOM 80 CG LEU A 6 69.178 10.676 -0.966 1.00 0.00 C ATOM 81 CD1 LEU A 6 70.044 9.998 0.097 1.00 0.00 C ATOM 82 CD2 LEU A 6 70.078 11.323 -2.021 1.00 0.00 C ATOM 0 H LEU A 6 66.870 11.476 -1.093 1.00 0.00 H new ATOM 0 HA LEU A 6 68.108 10.630 -3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 6 67.617 9.186 -0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 6 68.898 8.825 -2.041 1.00 0.00 H new ATOM 0 HG LEU A 6 68.559 11.440 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 6 70.681 10.742 0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 6 69.403 9.532 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 6 70.666 9.236 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 6 70.716 12.069 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 6 70.699 10.558 -2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 6 69.461 11.803 -2.781 1.00 0.00 H new ATOM 94 N ALA A 7 65.423 9.021 -2.618 1.00 0.00 N ATOM 95 CA ALA A 7 64.405 8.049 -3.109 1.00 0.00 C ATOM 96 C ALA A 7 63.849 8.497 -4.462 1.00 0.00 C ATOM 97 O ALA A 7 63.417 7.692 -5.265 1.00 0.00 O ATOM 98 CB ALA A 7 63.306 8.059 -2.049 1.00 0.00 C ATOM 0 H ALA A 7 65.219 9.439 -1.710 1.00 0.00 H new ATOM 0 HA ALA A 7 64.824 7.053 -3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 7 62.516 7.366 -2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 7 63.723 7.754 -1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 7 62.893 9.064 -1.962 1.00 0.00 H new ATOM 104 N LYS A 8 63.848 9.774 -4.721 1.00 0.00 N ATOM 105 CA LYS A 8 63.310 10.271 -6.021 1.00 0.00 C ATOM 106 C LYS A 8 64.419 10.338 -7.079 1.00 0.00 C ATOM 107 O LYS A 8 64.191 10.078 -8.244 1.00 0.00 O ATOM 108 CB LYS A 8 62.779 11.672 -5.713 1.00 0.00 C ATOM 109 CG LYS A 8 61.519 11.939 -6.540 1.00 0.00 C ATOM 110 CD LYS A 8 61.517 13.396 -7.007 1.00 0.00 C ATOM 111 CE LYS A 8 61.357 14.322 -5.798 1.00 0.00 C ATOM 112 NZ LYS A 8 61.612 15.690 -6.327 1.00 0.00 N ATOM 0 H LYS A 8 64.196 10.496 -4.090 1.00 0.00 H new ATOM 0 HA LYS A 8 62.538 9.614 -6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 8 62.554 11.761 -4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 8 63.540 12.418 -5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 8 61.486 11.270 -7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 8 60.629 11.735 -5.944 1.00 0.00 H new ATOM 0 HD2 LYS A 8 62.446 13.622 -7.531 1.00 0.00 H new ATOM 0 HD3 LYS A 8 60.704 13.561 -7.714 1.00 0.00 H new ATOM 0 HE2 LYS A 8 60.358 14.244 -5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 8 62.063 14.066 -5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 61.521 16.383 -5.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 62.573 15.736 -6.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 60.921 15.908 -7.073 1.00 0.00 H new ATOM 126 N ASN A 9 65.611 10.696 -6.687 1.00 0.00 N ATOM 127 CA ASN A 9 66.730 10.794 -7.675 1.00 0.00 C ATOM 128 C ASN A 9 67.156 9.404 -8.157 1.00 0.00 C ATOM 129 O ASN A 9 67.685 9.251 -9.239 1.00 0.00 O ATOM 130 CB ASN A 9 67.880 11.468 -6.920 1.00 0.00 C ATOM 131 CG ASN A 9 67.336 12.606 -6.055 1.00 0.00 C ATOM 132 OD1 ASN A 9 67.960 13.005 -5.092 1.00 0.00 O ATOM 133 ND2 ASN A 9 66.191 13.149 -6.361 1.00 0.00 N ATOM 0 H ASN A 9 65.861 10.926 -5.725 1.00 0.00 H new ATOM 0 HA ASN A 9 66.434 11.357 -8.560 1.00 0.00 H new ATOM 0 HB2 ASN A 9 68.394 10.738 -6.295 1.00 0.00 H new ATOM 0 HB3 ASN A 9 68.614 11.855 -7.627 1.00 0.00 H new ATOM 0 HD21 ASN A 9 65.819 13.909 -5.792 1.00 0.00 H new ATOM 0 HD22 ASN A 9 65.667 12.814 -7.170 1.00 0.00 H new ATOM 140 N LYS A 10 66.940 8.393 -7.364 1.00 0.00 N ATOM 141 CA LYS A 10 67.344 7.022 -7.787 1.00 0.00 C ATOM 142 C LYS A 10 66.141 6.270 -8.361 1.00 0.00 C ATOM 143 O LYS A 10 66.285 5.373 -9.167 1.00 0.00 O ATOM 144 CB LYS A 10 67.837 6.345 -6.508 1.00 0.00 C ATOM 145 CG LYS A 10 68.877 7.235 -5.824 1.00 0.00 C ATOM 146 CD LYS A 10 70.156 7.261 -6.660 1.00 0.00 C ATOM 147 CE LYS A 10 71.155 8.234 -6.032 1.00 0.00 C ATOM 148 NZ LYS A 10 71.075 9.462 -6.871 1.00 0.00 N ATOM 0 H LYS A 10 66.503 8.455 -6.444 1.00 0.00 H new ATOM 0 HA LYS A 10 68.109 7.037 -8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 10 66.999 6.164 -5.834 1.00 0.00 H new ATOM 0 HB3 LYS A 10 68.273 5.374 -6.743 1.00 0.00 H new ATOM 0 HG2 LYS A 10 68.486 8.246 -5.707 1.00 0.00 H new ATOM 0 HG3 LYS A 10 69.091 6.859 -4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 10 70.589 6.262 -6.713 1.00 0.00 H new ATOM 0 HD3 LYS A 10 69.929 7.565 -7.682 1.00 0.00 H new ATOM 0 HE2 LYS A 10 70.899 8.448 -4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 10 72.163 7.820 -6.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 71.466 10.269 -6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 71.621 9.322 -7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 70.082 9.654 -7.111 1.00 0.00 H new ATOM 162 N GLY A 11 64.957 6.625 -7.948 1.00 0.00 N ATOM 163 CA GLY A 11 63.749 5.928 -8.464 1.00 0.00 C ATOM 164 C GLY A 11 63.234 4.961 -7.401 1.00 0.00 C ATOM 165 O GLY A 11 62.479 4.054 -7.686 1.00 0.00 O ATOM 0 H GLY A 11 64.774 7.369 -7.274 1.00 0.00 H new ATOM 0 HA2 GLY A 11 62.976 6.654 -8.717 1.00 0.00 H new ATOM 0 HA3 GLY A 11 63.990 5.387 -9.379 1.00 0.00 H new ATOM 169 N CYS A 12 63.635 5.148 -6.172 1.00 0.00 N ATOM 170 CA CYS A 12 63.160 4.237 -5.092 1.00 0.00 C ATOM 171 C CYS A 12 61.647 4.393 -4.911 1.00 0.00 C ATOM 172 O CYS A 12 60.952 3.458 -4.569 1.00 0.00 O ATOM 173 CB CYS A 12 63.888 4.683 -3.820 1.00 0.00 C ATOM 174 SG CYS A 12 65.655 4.932 -4.148 1.00 0.00 S ATOM 0 H CYS A 12 64.268 5.889 -5.871 1.00 0.00 H new ATOM 0 HA CYS A 12 63.362 3.192 -5.325 1.00 0.00 H new ATOM 0 HB2 CYS A 12 63.448 5.608 -3.448 1.00 0.00 H new ATOM 0 HB3 CYS A 12 63.760 3.933 -3.039 1.00 0.00 H new ATOM 0 HG CYS A 12 65.946 4.473 -5.329 1.00 0.00 H new ATOM 179 N MET A 13 61.134 5.573 -5.135 1.00 0.00 N ATOM 180 CA MET A 13 59.668 5.797 -4.972 1.00 0.00 C ATOM 181 C MET A 13 58.906 5.274 -6.194 1.00 0.00 C ATOM 182 O MET A 13 57.702 5.412 -6.291 1.00 0.00 O ATOM 183 CB MET A 13 59.512 7.314 -4.859 1.00 0.00 C ATOM 184 CG MET A 13 59.768 7.749 -3.416 1.00 0.00 C ATOM 185 SD MET A 13 58.498 7.040 -2.338 1.00 0.00 S ATOM 186 CE MET A 13 57.082 7.920 -3.040 1.00 0.00 C ATOM 0 H MET A 13 61.668 6.393 -5.424 1.00 0.00 H new ATOM 0 HA MET A 13 59.268 5.275 -4.103 1.00 0.00 H new ATOM 0 HB2 MET A 13 60.212 7.813 -5.530 1.00 0.00 H new ATOM 0 HB3 MET A 13 58.509 7.611 -5.167 1.00 0.00 H new ATOM 0 HG2 MET A 13 60.757 7.421 -3.096 1.00 0.00 H new ATOM 0 HG3 MET A 13 59.755 8.837 -3.345 1.00 0.00 H new ATOM 0 HE1 MET A 13 56.286 7.979 -2.298 1.00 0.00 H new ATOM 0 HE2 MET A 13 57.385 8.927 -3.327 1.00 0.00 H new ATOM 0 HE3 MET A 13 56.720 7.385 -3.918 1.00 0.00 H new ATOM 196 N ALA A 14 59.595 4.684 -7.132 1.00 0.00 N ATOM 197 CA ALA A 14 58.907 4.164 -8.348 1.00 0.00 C ATOM 198 C ALA A 14 58.289 2.791 -8.073 1.00 0.00 C ATOM 199 O ALA A 14 57.146 2.539 -8.398 1.00 0.00 O ATOM 200 CB ALA A 14 60.004 4.054 -9.408 1.00 0.00 C ATOM 0 H ALA A 14 60.604 4.539 -7.109 1.00 0.00 H new ATOM 0 HA ALA A 14 58.093 4.815 -8.666 1.00 0.00 H new ATOM 0 HB1 ALA A 14 59.576 3.677 -10.337 1.00 0.00 H new ATOM 0 HB2 ALA A 14 60.441 5.037 -9.583 1.00 0.00 H new ATOM 0 HB3 ALA A 14 60.778 3.370 -9.061 1.00 0.00 H new ATOM 206 N CYS A 15 59.037 1.901 -7.491 1.00 0.00 N ATOM 207 CA CYS A 15 58.497 0.542 -7.206 1.00 0.00 C ATOM 208 C CYS A 15 57.995 0.444 -5.765 1.00 0.00 C ATOM 209 O CYS A 15 57.298 -0.485 -5.406 1.00 0.00 O ATOM 210 CB CYS A 15 59.685 -0.401 -7.384 1.00 0.00 C ATOM 211 SG CYS A 15 60.207 -0.442 -9.117 1.00 0.00 S ATOM 0 H CYS A 15 60.002 2.054 -7.199 1.00 0.00 H new ATOM 0 HA CYS A 15 57.659 0.304 -7.861 1.00 0.00 H new ATOM 0 HB2 CYS A 15 60.514 -0.074 -6.756 1.00 0.00 H new ATOM 0 HB3 CYS A 15 59.413 -1.404 -7.056 1.00 0.00 H new ATOM 0 HG CYS A 15 61.219 -1.247 -9.246 1.00 0.00 H new ATOM 216 N HIS A 16 58.366 1.368 -4.924 1.00 0.00 N ATOM 217 CA HIS A 16 57.930 1.282 -3.501 1.00 0.00 C ATOM 218 C HIS A 16 56.811 2.273 -3.183 1.00 0.00 C ATOM 219 O HIS A 16 56.460 3.124 -3.978 1.00 0.00 O ATOM 220 CB HIS A 16 59.177 1.625 -2.694 1.00 0.00 C ATOM 221 CG HIS A 16 60.009 0.389 -2.502 1.00 0.00 C ATOM 222 ND1 HIS A 16 61.338 0.133 -2.726 1.00 0.00 N flip ATOM 223 CD2 HIS A 16 59.474 -0.788 -2.005 1.00 0.00 C flip ATOM 224 CE1 HIS A 16 61.625 -1.182 -2.372 1.00 0.00 C flip ATOM 225 NE2 HIS A 16 60.469 -1.691 -1.944 1.00 0.00 N flip ATOM 0 H HIS A 16 58.947 2.173 -5.157 1.00 0.00 H new ATOM 0 HA HIS A 16 57.529 0.295 -3.271 1.00 0.00 H new ATOM 0 HB2 HIS A 16 59.757 2.390 -3.210 1.00 0.00 H new ATOM 0 HB3 HIS A 16 58.894 2.039 -1.726 1.00 0.00 H new ATOM 0 HD1 HIS A 16 62.012 0.803 -3.095 1.00 0.00 H new ATOM 0 HD2 HIS A 16 58.445 -0.951 -1.719 1.00 0.00 H new ATOM 0 HE1 HIS A 16 62.580 -1.683 -2.431 1.00 0.00 H new ATOM 233 N ALA A 17 56.262 2.162 -2.004 1.00 0.00 N ATOM 234 CA ALA A 17 55.171 3.078 -1.575 1.00 0.00 C ATOM 235 C ALA A 17 55.194 3.196 -0.047 1.00 0.00 C ATOM 236 O ALA A 17 55.137 2.210 0.656 1.00 0.00 O ATOM 237 CB ALA A 17 53.881 2.412 -2.050 1.00 0.00 C ATOM 0 H ALA A 17 56.529 1.464 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 17 55.270 4.083 -1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 17 53.028 3.030 -1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 17 53.907 2.300 -3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 17 53.786 1.430 -1.586 1.00 0.00 H new ATOM 243 N ILE A 18 55.290 4.394 0.464 1.00 0.00 N ATOM 244 CA ILE A 18 55.339 4.590 1.946 1.00 0.00 C ATOM 245 C ILE A 18 54.412 3.610 2.666 1.00 0.00 C ATOM 246 O ILE A 18 54.641 3.254 3.805 1.00 0.00 O ATOM 247 CB ILE A 18 54.864 6.026 2.167 1.00 0.00 C ATOM 248 CG1 ILE A 18 55.759 6.987 1.384 1.00 0.00 C ATOM 249 CG2 ILE A 18 54.933 6.366 3.657 1.00 0.00 C ATOM 250 CD1 ILE A 18 55.002 7.504 0.159 1.00 0.00 C ATOM 0 H ILE A 18 55.337 5.253 -0.084 1.00 0.00 H new ATOM 0 HA ILE A 18 56.339 4.414 2.341 1.00 0.00 H new ATOM 0 HB ILE A 18 53.835 6.123 1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 18 56.058 7.821 2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 18 56.672 6.479 1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 18 54.594 7.390 3.813 1.00 0.00 H new ATOM 0 HG22 ILE A 18 54.293 5.683 4.216 1.00 0.00 H new ATOM 0 HG23 ILE A 18 55.961 6.267 4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 18 55.639 8.189 -0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 18 54.725 6.664 -0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 18 54.102 8.027 0.482 1.00 0.00 H new ATOM 262 N ASP A 19 53.365 3.175 2.025 1.00 0.00 N ATOM 263 CA ASP A 19 52.436 2.226 2.707 1.00 0.00 C ATOM 264 C ASP A 19 51.664 1.374 1.694 1.00 0.00 C ATOM 265 O ASP A 19 51.341 0.232 1.954 1.00 0.00 O ATOM 266 CB ASP A 19 51.475 3.117 3.494 1.00 0.00 C ATOM 267 CG ASP A 19 51.010 4.274 2.608 1.00 0.00 C ATOM 268 OD1 ASP A 19 51.732 5.256 2.522 1.00 0.00 O ATOM 269 OD2 ASP A 19 49.942 4.160 2.030 1.00 0.00 O ATOM 0 H ASP A 19 53.112 3.430 1.070 1.00 0.00 H new ATOM 0 HA ASP A 19 52.975 1.526 3.345 1.00 0.00 H new ATOM 0 HB2 ASP A 19 50.617 2.536 3.831 1.00 0.00 H new ATOM 0 HB3 ASP A 19 51.968 3.503 4.386 1.00 0.00 H new ATOM 274 N THR A 20 51.360 1.912 0.547 1.00 0.00 N ATOM 275 CA THR A 20 50.604 1.115 -0.460 1.00 0.00 C ATOM 276 C THR A 20 51.493 0.001 -1.014 1.00 0.00 C ATOM 277 O THR A 20 52.702 0.118 -1.050 1.00 0.00 O ATOM 278 CB THR A 20 50.226 2.105 -1.561 1.00 0.00 C ATOM 279 OG1 THR A 20 51.366 2.874 -1.918 1.00 0.00 O ATOM 280 CG2 THR A 20 49.121 3.034 -1.056 1.00 0.00 C ATOM 0 H THR A 20 51.600 2.862 0.264 1.00 0.00 H new ATOM 0 HA THR A 20 49.721 0.639 -0.033 1.00 0.00 H new ATOM 0 HB THR A 20 49.869 1.558 -2.434 1.00 0.00 H new ATOM 0 HG1 THR A 20 51.125 3.508 -2.625 1.00 0.00 H new ATOM 0 HG21 THR A 20 48.852 3.740 -1.842 1.00 0.00 H new ATOM 0 HG22 THR A 20 48.246 2.444 -0.783 1.00 0.00 H new ATOM 0 HG23 THR A 20 49.476 3.581 -0.183 1.00 0.00 H new ATOM 288 N LYS A 21 50.906 -1.083 -1.433 1.00 0.00 N ATOM 289 CA LYS A 21 51.718 -2.208 -1.971 1.00 0.00 C ATOM 290 C LYS A 21 51.847 -2.102 -3.491 1.00 0.00 C ATOM 291 O LYS A 21 50.872 -2.161 -4.214 1.00 0.00 O ATOM 292 CB LYS A 21 50.948 -3.470 -1.585 1.00 0.00 C ATOM 293 CG LYS A 21 51.867 -4.687 -1.713 1.00 0.00 C ATOM 294 CD LYS A 21 51.050 -5.964 -1.508 1.00 0.00 C ATOM 295 CE LYS A 21 51.967 -7.182 -1.631 1.00 0.00 C ATOM 296 NZ LYS A 21 52.578 -7.338 -0.283 1.00 0.00 N ATOM 0 H LYS A 21 49.898 -1.239 -1.426 1.00 0.00 H new ATOM 0 HA LYS A 21 52.732 -2.207 -1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 21 50.579 -3.385 -0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 21 50.077 -3.589 -2.230 1.00 0.00 H new ATOM 0 HG2 LYS A 21 52.339 -4.698 -2.695 1.00 0.00 H new ATOM 0 HG3 LYS A 21 52.667 -4.632 -0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 21 50.575 -5.951 -0.527 1.00 0.00 H new ATOM 0 HD3 LYS A 21 50.252 -6.020 -2.248 1.00 0.00 H new ATOM 0 HE2 LYS A 21 51.406 -8.072 -1.916 1.00 0.00 H new ATOM 0 HE3 LYS A 21 52.729 -7.027 -2.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 53.114 -8.229 -0.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 53.219 -6.540 -0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 51.829 -7.354 0.438 1.00 0.00 H new ATOM 310 N MET A 22 53.046 -1.950 -3.977 1.00 0.00 N ATOM 311 CA MET A 22 53.248 -1.846 -5.449 1.00 0.00 C ATOM 312 C MET A 22 54.220 -2.941 -5.912 1.00 0.00 C ATOM 313 O MET A 22 53.947 -4.117 -5.774 1.00 0.00 O ATOM 314 CB MET A 22 53.835 -0.451 -5.666 1.00 0.00 C ATOM 315 CG MET A 22 52.820 0.605 -5.226 1.00 0.00 C ATOM 316 SD MET A 22 52.697 1.889 -6.496 1.00 0.00 S ATOM 317 CE MET A 22 54.041 2.941 -5.892 1.00 0.00 C ATOM 0 H MET A 22 53.897 -1.893 -3.418 1.00 0.00 H new ATOM 0 HA MET A 22 52.328 -1.981 -6.018 1.00 0.00 H new ATOM 0 HB2 MET A 22 54.759 -0.341 -5.098 1.00 0.00 H new ATOM 0 HB3 MET A 22 54.089 -0.311 -6.717 1.00 0.00 H new ATOM 0 HG2 MET A 22 51.846 0.144 -5.065 1.00 0.00 H new ATOM 0 HG3 MET A 22 53.125 1.045 -4.277 1.00 0.00 H new ATOM 0 HE1 MET A 22 54.321 3.654 -6.667 1.00 0.00 H new ATOM 0 HE2 MET A 22 53.710 3.481 -5.005 1.00 0.00 H new ATOM 0 HE3 MET A 22 54.902 2.322 -5.640 1.00 0.00 H new ATOM 327 N VAL A 23 55.353 -2.575 -6.452 1.00 0.00 N ATOM 328 CA VAL A 23 56.326 -3.610 -6.903 1.00 0.00 C ATOM 329 C VAL A 23 57.052 -4.200 -5.693 1.00 0.00 C ATOM 330 O VAL A 23 57.376 -5.370 -5.658 1.00 0.00 O ATOM 331 CB VAL A 23 57.300 -2.867 -7.814 1.00 0.00 C ATOM 332 CG1 VAL A 23 58.503 -3.761 -8.114 1.00 0.00 C ATOM 333 CG2 VAL A 23 56.595 -2.506 -9.123 1.00 0.00 C ATOM 0 H VAL A 23 55.645 -1.609 -6.599 1.00 0.00 H new ATOM 0 HA VAL A 23 55.846 -4.440 -7.422 1.00 0.00 H new ATOM 0 HB VAL A 23 57.639 -1.957 -7.319 1.00 0.00 H new ATOM 0 HG11 VAL A 23 59.198 -3.230 -8.764 1.00 0.00 H new ATOM 0 HG12 VAL A 23 59.005 -4.021 -7.182 1.00 0.00 H new ATOM 0 HG13 VAL A 23 58.165 -4.671 -8.610 1.00 0.00 H new ATOM 0 HG21 VAL A 23 57.288 -1.975 -9.775 1.00 0.00 H new ATOM 0 HG22 VAL A 23 56.257 -3.417 -9.617 1.00 0.00 H new ATOM 0 HG23 VAL A 23 55.737 -1.868 -8.910 1.00 0.00 H new ATOM 343 N GLY A 24 57.300 -3.398 -4.698 1.00 0.00 N ATOM 344 CA GLY A 24 57.995 -3.906 -3.481 1.00 0.00 C ATOM 345 C GLY A 24 57.099 -3.670 -2.260 1.00 0.00 C ATOM 346 O GLY A 24 56.082 -3.013 -2.361 1.00 0.00 O ATOM 0 H GLY A 24 57.051 -2.409 -4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 24 58.213 -4.969 -3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 24 58.950 -3.396 -3.352 1.00 0.00 H new ATOM 350 N PRO A 25 57.500 -4.215 -1.138 1.00 0.00 N ATOM 351 CA PRO A 25 56.714 -4.060 0.109 1.00 0.00 C ATOM 352 C PRO A 25 56.718 -2.595 0.554 1.00 0.00 C ATOM 353 O PRO A 25 57.734 -1.931 0.508 1.00 0.00 O ATOM 354 CB PRO A 25 57.481 -4.939 1.100 1.00 0.00 C ATOM 355 CG PRO A 25 58.689 -5.565 0.375 1.00 0.00 C ATOM 356 CD PRO A 25 58.748 -5.007 -1.053 1.00 0.00 C ATOM 0 HA PRO A 25 55.666 -4.342 0.011 1.00 0.00 H new ATOM 0 HB2 PRO A 25 57.817 -4.345 1.950 1.00 0.00 H new ATOM 0 HB3 PRO A 25 56.831 -5.720 1.494 1.00 0.00 H new ATOM 0 HG2 PRO A 25 59.611 -5.335 0.909 1.00 0.00 H new ATOM 0 HG3 PRO A 25 58.596 -6.651 0.353 1.00 0.00 H new ATOM 0 HD2 PRO A 25 59.632 -4.390 -1.211 1.00 0.00 H new ATOM 0 HD3 PRO A 25 58.776 -5.802 -1.799 1.00 0.00 H new ATOM 364 N ALA A 26 55.594 -2.086 0.983 1.00 0.00 N ATOM 365 CA ALA A 26 55.547 -0.664 1.429 1.00 0.00 C ATOM 366 C ALA A 26 56.788 -0.342 2.266 1.00 0.00 C ATOM 367 O ALA A 26 57.404 -1.221 2.834 1.00 0.00 O ATOM 368 CB ALA A 26 54.279 -0.551 2.278 1.00 0.00 C ATOM 0 H ALA A 26 54.710 -2.591 1.044 1.00 0.00 H new ATOM 0 HA ALA A 26 55.533 0.034 0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 26 54.176 0.471 2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.411 -0.809 1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.346 -1.234 3.125 1.00 0.00 H new ATOM 374 N TYR A 27 57.166 0.904 2.341 1.00 0.00 N ATOM 375 CA TYR A 27 58.370 1.267 3.138 1.00 0.00 C ATOM 376 C TYR A 27 58.085 1.067 4.628 1.00 0.00 C ATOM 377 O TYR A 27 58.730 0.276 5.292 1.00 0.00 O ATOM 378 CB TYR A 27 58.617 2.742 2.818 1.00 0.00 C ATOM 379 CG TYR A 27 59.363 2.865 1.510 1.00 0.00 C ATOM 380 CD1 TYR A 27 60.419 1.992 1.210 1.00 0.00 C ATOM 381 CD2 TYR A 27 59.005 3.862 0.596 1.00 0.00 C ATOM 382 CE1 TYR A 27 61.112 2.119 0.001 1.00 0.00 C ATOM 383 CE2 TYR A 27 59.698 3.987 -0.614 1.00 0.00 C ATOM 384 CZ TYR A 27 60.752 3.117 -0.910 1.00 0.00 C ATOM 385 OH TYR A 27 61.435 3.243 -2.103 1.00 0.00 O ATOM 0 H TYR A 27 56.694 1.685 1.886 1.00 0.00 H new ATOM 0 HA TYR A 27 59.238 0.653 2.899 1.00 0.00 H new ATOM 0 HB2 TYR A 27 57.668 3.274 2.757 1.00 0.00 H new ATOM 0 HB3 TYR A 27 59.191 3.206 3.620 1.00 0.00 H new ATOM 0 HD1 TYR A 27 60.698 1.221 1.913 1.00 0.00 H new ATOM 0 HD2 TYR A 27 58.193 4.536 0.824 1.00 0.00 H new ATOM 0 HE1 TYR A 27 61.925 1.446 -0.229 1.00 0.00 H new ATOM 0 HE2 TYR A 27 59.418 4.756 -1.319 1.00 0.00 H new ATOM 0 HH TYR A 27 60.846 3.643 -2.776 1.00 0.00 H new ATOM 395 N LYS A 28 57.118 1.761 5.161 1.00 0.00 N ATOM 396 CA LYS A 28 56.800 1.580 6.603 1.00 0.00 C ATOM 397 C LYS A 28 56.579 0.095 6.881 1.00 0.00 C ATOM 398 O LYS A 28 57.040 -0.441 7.869 1.00 0.00 O ATOM 399 CB LYS A 28 55.514 2.374 6.840 1.00 0.00 C ATOM 400 CG LYS A 28 55.575 3.044 8.216 1.00 0.00 C ATOM 401 CD LYS A 28 54.355 2.630 9.043 1.00 0.00 C ATOM 402 CE LYS A 28 54.067 3.697 10.103 1.00 0.00 C ATOM 403 NZ LYS A 28 53.296 2.988 11.164 1.00 0.00 N ATOM 0 H LYS A 28 56.540 2.439 4.665 1.00 0.00 H new ATOM 0 HA LYS A 28 57.600 1.924 7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 28 55.390 3.127 6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 28 54.650 1.712 6.784 1.00 0.00 H new ATOM 0 HG2 LYS A 28 56.491 2.756 8.732 1.00 0.00 H new ATOM 0 HG3 LYS A 28 55.600 4.128 8.103 1.00 0.00 H new ATOM 0 HD2 LYS A 28 53.488 2.505 8.394 1.00 0.00 H new ATOM 0 HD3 LYS A 28 54.537 1.668 9.521 1.00 0.00 H new ATOM 0 HE2 LYS A 28 54.991 4.118 10.501 1.00 0.00 H new ATOM 0 HE3 LYS A 28 53.494 4.524 9.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 53.061 3.655 11.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 52.419 2.604 10.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 53.869 2.210 11.548 1.00 0.00 H new ATOM 417 N ASP A 29 55.883 -0.576 6.003 1.00 0.00 N ATOM 418 CA ASP A 29 55.639 -2.033 6.202 1.00 0.00 C ATOM 419 C ASP A 29 56.974 -2.776 6.295 1.00 0.00 C ATOM 420 O ASP A 29 57.145 -3.663 7.108 1.00 0.00 O ATOM 421 CB ASP A 29 54.859 -2.482 4.966 1.00 0.00 C ATOM 422 CG ASP A 29 53.375 -2.167 5.157 1.00 0.00 C ATOM 423 OD1 ASP A 29 52.970 -1.983 6.293 1.00 0.00 O ATOM 424 OD2 ASP A 29 52.668 -2.115 4.164 1.00 0.00 O ATOM 0 H ASP A 29 55.473 -0.178 5.158 1.00 0.00 H new ATOM 0 HA ASP A 29 55.091 -2.240 7.121 1.00 0.00 H new ATOM 0 HB2 ASP A 29 55.238 -1.974 4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 29 54.997 -3.551 4.804 1.00 0.00 H new ATOM 429 N VAL A 30 57.926 -2.415 5.476 1.00 0.00 N ATOM 430 CA VAL A 30 59.252 -3.096 5.530 1.00 0.00 C ATOM 431 C VAL A 30 59.820 -2.985 6.944 1.00 0.00 C ATOM 432 O VAL A 30 60.422 -3.904 7.461 1.00 0.00 O ATOM 433 CB VAL A 30 60.133 -2.342 4.533 1.00 0.00 C ATOM 434 CG1 VAL A 30 61.607 -2.643 4.817 1.00 0.00 C ATOM 435 CG2 VAL A 30 59.791 -2.791 3.111 1.00 0.00 C ATOM 0 H VAL A 30 57.843 -1.680 4.774 1.00 0.00 H new ATOM 0 HA VAL A 30 59.191 -4.156 5.284 1.00 0.00 H new ATOM 0 HB VAL A 30 59.955 -1.271 4.633 1.00 0.00 H new ATOM 0 HG11 VAL A 30 62.232 -2.104 4.105 1.00 0.00 H new ATOM 0 HG12 VAL A 30 61.855 -2.326 5.830 1.00 0.00 H new ATOM 0 HG13 VAL A 30 61.785 -3.714 4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 30 60.418 -2.254 2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 30 59.968 -3.862 3.015 1.00 0.00 H new ATOM 0 HG23 VAL A 30 58.742 -2.577 2.904 1.00 0.00 H new ATOM 445 N ALA A 31 59.621 -1.861 7.574 1.00 0.00 N ATOM 446 CA ALA A 31 60.137 -1.682 8.961 1.00 0.00 C ATOM 447 C ALA A 31 59.278 -2.481 9.944 1.00 0.00 C ATOM 448 O ALA A 31 59.718 -2.845 11.016 1.00 0.00 O ATOM 449 CB ALA A 31 60.016 -0.185 9.243 1.00 0.00 C ATOM 0 H ALA A 31 59.123 -1.058 7.189 1.00 0.00 H new ATOM 0 HA ALA A 31 61.163 -2.033 9.069 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.378 0.026 10.249 1.00 0.00 H new ATOM 0 HB2 ALA A 31 60.612 0.371 8.519 1.00 0.00 H new ATOM 0 HB3 ALA A 31 58.972 0.117 9.162 1.00 0.00 H new ATOM 455 N ALA A 32 58.053 -2.752 9.585 1.00 0.00 N ATOM 456 CA ALA A 32 57.163 -3.523 10.496 1.00 0.00 C ATOM 457 C ALA A 32 57.578 -4.996 10.523 1.00 0.00 C ATOM 458 O ALA A 32 57.406 -5.682 11.510 1.00 0.00 O ATOM 459 CB ALA A 32 55.762 -3.373 9.903 1.00 0.00 C ATOM 0 H ALA A 32 57.631 -2.472 8.700 1.00 0.00 H new ATOM 0 HA ALA A 32 57.213 -3.161 11.523 1.00 0.00 H new ATOM 0 HB1 ALA A 32 55.046 -3.915 10.520 1.00 0.00 H new ATOM 0 HB2 ALA A 32 55.490 -2.318 9.874 1.00 0.00 H new ATOM 0 HB3 ALA A 32 55.750 -3.779 8.891 1.00 0.00 H new ATOM 465 N LYS A 33 58.126 -5.486 9.445 1.00 0.00 N ATOM 466 CA LYS A 33 58.552 -6.913 9.410 1.00 0.00 C ATOM 467 C LYS A 33 59.992 -7.040 9.917 1.00 0.00 C ATOM 468 O LYS A 33 60.345 -7.999 10.574 1.00 0.00 O ATOM 469 CB LYS A 33 58.449 -7.328 7.941 1.00 0.00 C ATOM 470 CG LYS A 33 59.250 -8.611 7.709 1.00 0.00 C ATOM 471 CD LYS A 33 58.486 -9.522 6.747 1.00 0.00 C ATOM 472 CE LYS A 33 57.728 -10.588 7.541 1.00 0.00 C ATOM 473 NZ LYS A 33 57.621 -11.751 6.618 1.00 0.00 N ATOM 0 H LYS A 33 58.297 -4.960 8.588 1.00 0.00 H new ATOM 0 HA LYS A 33 57.935 -7.548 10.047 1.00 0.00 H new ATOM 0 HB2 LYS A 33 57.405 -7.486 7.670 1.00 0.00 H new ATOM 0 HB3 LYS A 33 58.827 -6.531 7.301 1.00 0.00 H new ATOM 0 HG2 LYS A 33 60.231 -8.371 7.298 1.00 0.00 H new ATOM 0 HG3 LYS A 33 59.418 -9.124 8.656 1.00 0.00 H new ATOM 0 HD2 LYS A 33 57.788 -8.934 6.150 1.00 0.00 H new ATOM 0 HD3 LYS A 33 59.179 -9.996 6.052 1.00 0.00 H new ATOM 0 HE2 LYS A 33 58.262 -10.855 8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 33 56.743 -10.231 7.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 57.112 -12.525 7.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 57.102 -11.468 5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 58.574 -12.074 6.354 1.00 0.00 H new ATOM 487 N TYR A 34 60.823 -6.074 9.628 1.00 0.00 N ATOM 488 CA TYR A 34 62.234 -6.140 10.107 1.00 0.00 C ATOM 489 C TYR A 34 62.368 -5.388 11.435 1.00 0.00 C ATOM 490 O TYR A 34 63.426 -5.340 12.029 1.00 0.00 O ATOM 491 CB TYR A 34 63.064 -5.462 9.015 1.00 0.00 C ATOM 492 CG TYR A 34 63.382 -6.463 7.929 1.00 0.00 C ATOM 493 CD1 TYR A 34 62.514 -7.537 7.690 1.00 0.00 C ATOM 494 CD2 TYR A 34 64.544 -6.320 7.163 1.00 0.00 C ATOM 495 CE1 TYR A 34 62.810 -8.467 6.685 1.00 0.00 C ATOM 496 CE2 TYR A 34 64.839 -7.249 6.159 1.00 0.00 C ATOM 497 CZ TYR A 34 63.973 -8.323 5.920 1.00 0.00 C ATOM 498 OH TYR A 34 64.267 -9.239 4.930 1.00 0.00 O ATOM 0 H TYR A 34 60.587 -5.245 9.083 1.00 0.00 H new ATOM 0 HA TYR A 34 62.565 -7.164 10.283 1.00 0.00 H new ATOM 0 HB2 TYR A 34 62.515 -4.618 8.597 1.00 0.00 H new ATOM 0 HB3 TYR A 34 63.986 -5.064 9.439 1.00 0.00 H new ATOM 0 HD1 TYR A 34 61.617 -7.648 8.281 1.00 0.00 H new ATOM 0 HD2 TYR A 34 65.213 -5.493 7.347 1.00 0.00 H new ATOM 0 HE1 TYR A 34 62.141 -9.295 6.501 1.00 0.00 H new ATOM 0 HE2 TYR A 34 65.736 -7.137 5.568 1.00 0.00 H new ATOM 0 HH TYR A 34 65.109 -8.991 4.495 1.00 0.00 H new ATOM 508 N ALA A 35 61.297 -4.803 11.905 1.00 0.00 N ATOM 509 CA ALA A 35 61.357 -4.057 13.194 1.00 0.00 C ATOM 510 C ALA A 35 61.919 -4.957 14.300 1.00 0.00 C ATOM 511 O ALA A 35 61.479 -6.074 14.488 1.00 0.00 O ATOM 512 CB ALA A 35 59.907 -3.675 13.493 1.00 0.00 C ATOM 0 H ALA A 35 60.384 -4.810 11.451 1.00 0.00 H new ATOM 0 HA ALA A 35 62.006 -3.183 13.139 1.00 0.00 H new ATOM 0 HB1 ALA A 35 59.863 -3.120 14.430 1.00 0.00 H new ATOM 0 HB2 ALA A 35 59.520 -3.054 12.685 1.00 0.00 H new ATOM 0 HB3 ALA A 35 59.303 -4.578 13.577 1.00 0.00 H new ATOM 518 N GLY A 36 62.889 -4.480 15.030 1.00 0.00 N ATOM 519 CA GLY A 36 63.480 -5.308 16.120 1.00 0.00 C ATOM 520 C GLY A 36 64.940 -5.618 15.784 1.00 0.00 C ATOM 521 O GLY A 36 65.725 -5.969 16.643 1.00 0.00 O ATOM 0 H GLY A 36 63.298 -3.552 14.919 1.00 0.00 H new ATOM 0 HA2 GLY A 36 63.418 -4.777 17.070 1.00 0.00 H new ATOM 0 HA3 GLY A 36 62.917 -6.234 16.235 1.00 0.00 H new ATOM 525 N GLN A 37 65.309 -5.487 14.541 1.00 0.00 N ATOM 526 CA GLN A 37 66.718 -5.769 14.148 1.00 0.00 C ATOM 527 C GLN A 37 67.655 -4.736 14.779 1.00 0.00 C ATOM 528 O GLN A 37 67.303 -3.585 14.945 1.00 0.00 O ATOM 529 CB GLN A 37 66.734 -5.650 12.624 1.00 0.00 C ATOM 530 CG GLN A 37 66.346 -6.994 12.004 1.00 0.00 C ATOM 531 CD GLN A 37 67.535 -7.952 12.080 1.00 0.00 C ATOM 532 OE1 GLN A 37 67.574 -8.826 12.924 1.00 0.00 O ATOM 533 NE2 GLN A 37 68.514 -7.825 11.228 1.00 0.00 N ATOM 0 H GLN A 37 64.696 -5.197 13.779 1.00 0.00 H new ATOM 0 HA GLN A 37 67.055 -6.750 14.482 1.00 0.00 H new ATOM 0 HB2 GLN A 37 66.039 -4.874 12.302 1.00 0.00 H new ATOM 0 HB3 GLN A 37 67.725 -5.352 12.282 1.00 0.00 H new ATOM 0 HG2 GLN A 37 65.491 -7.416 12.531 1.00 0.00 H new ATOM 0 HG3 GLN A 37 66.044 -6.854 10.966 1.00 0.00 H new ATOM 0 HE21 GLN A 37 68.482 -7.092 10.520 1.00 0.00 H new ATOM 0 HE22 GLN A 37 69.312 -8.459 11.270 1.00 0.00 H new ATOM 542 N ALA A 38 68.844 -5.138 15.138 1.00 0.00 N ATOM 543 CA ALA A 38 69.799 -4.179 15.763 1.00 0.00 C ATOM 544 C ALA A 38 70.562 -3.409 14.681 1.00 0.00 C ATOM 545 O ALA A 38 71.776 -3.352 14.687 1.00 0.00 O ATOM 546 CB ALA A 38 70.755 -5.048 16.580 1.00 0.00 C ATOM 0 H ALA A 38 69.195 -6.089 15.025 1.00 0.00 H new ATOM 0 HA ALA A 38 69.294 -3.437 16.382 1.00 0.00 H new ATOM 0 HB1 ALA A 38 71.492 -4.414 17.073 1.00 0.00 H new ATOM 0 HB2 ALA A 38 70.192 -5.601 17.331 1.00 0.00 H new ATOM 0 HB3 ALA A 38 71.264 -5.749 15.919 1.00 0.00 H new ATOM 552 N GLY A 39 69.861 -2.813 13.755 1.00 0.00 N ATOM 553 CA GLY A 39 70.549 -2.048 12.677 1.00 0.00 C ATOM 554 C GLY A 39 70.155 -2.618 11.314 1.00 0.00 C ATOM 555 O GLY A 39 70.994 -3.014 10.530 1.00 0.00 O ATOM 0 H GLY A 39 68.843 -2.823 13.699 1.00 0.00 H new ATOM 0 HA2 GLY A 39 70.277 -0.994 12.734 1.00 0.00 H new ATOM 0 HA3 GLY A 39 71.629 -2.106 12.808 1.00 0.00 H new ATOM 559 N ALA A 40 68.883 -2.663 11.024 1.00 0.00 N ATOM 560 CA ALA A 40 68.437 -3.210 9.710 1.00 0.00 C ATOM 561 C ALA A 40 68.707 -2.198 8.595 1.00 0.00 C ATOM 562 O ALA A 40 68.646 -2.520 7.426 1.00 0.00 O ATOM 563 CB ALA A 40 66.935 -3.448 9.873 1.00 0.00 C ATOM 0 H ALA A 40 68.134 -2.345 11.639 1.00 0.00 H new ATOM 0 HA ALA A 40 68.967 -4.123 9.439 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.528 -3.852 8.946 1.00 0.00 H new ATOM 0 HB2 ALA A 40 66.765 -4.157 10.683 1.00 0.00 H new ATOM 0 HB3 ALA A 40 66.440 -2.505 10.106 1.00 0.00 H new ATOM 569 N GLU A 41 69.008 -0.976 8.943 1.00 0.00 N ATOM 570 CA GLU A 41 69.284 0.047 7.895 1.00 0.00 C ATOM 571 C GLU A 41 70.671 -0.188 7.292 1.00 0.00 C ATOM 572 O GLU A 41 70.913 0.100 6.136 1.00 0.00 O ATOM 573 CB GLU A 41 69.229 1.394 8.619 1.00 0.00 C ATOM 574 CG GLU A 41 70.168 1.372 9.828 1.00 0.00 C ATOM 575 CD GLU A 41 71.319 2.353 9.599 1.00 0.00 C ATOM 576 OE1 GLU A 41 71.952 2.263 8.560 1.00 0.00 O ATOM 577 OE2 GLU A 41 71.548 3.180 10.466 1.00 0.00 O ATOM 0 H GLU A 41 69.074 -0.643 9.905 1.00 0.00 H new ATOM 0 HA GLU A 41 68.566 0.005 7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 41 69.517 2.195 7.938 1.00 0.00 H new ATOM 0 HB3 GLU A 41 68.209 1.602 8.943 1.00 0.00 H new ATOM 0 HG2 GLU A 41 69.621 1.641 10.731 1.00 0.00 H new ATOM 0 HG3 GLU A 41 70.559 0.366 9.980 1.00 0.00 H new ATOM 584 N ALA A 42 71.581 -0.720 8.063 1.00 0.00 N ATOM 585 CA ALA A 42 72.945 -0.984 7.529 1.00 0.00 C ATOM 586 C ALA A 42 72.885 -2.139 6.530 1.00 0.00 C ATOM 587 O ALA A 42 73.325 -2.024 5.403 1.00 0.00 O ATOM 588 CB ALA A 42 73.782 -1.366 8.751 1.00 0.00 C ATOM 0 H ALA A 42 71.438 -0.982 9.038 1.00 0.00 H new ATOM 0 HA ALA A 42 73.368 -0.126 7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 42 74.805 -1.577 8.440 1.00 0.00 H new ATOM 0 HB2 ALA A 42 73.782 -0.542 9.464 1.00 0.00 H new ATOM 0 HB3 ALA A 42 73.356 -2.252 9.221 1.00 0.00 H new ATOM 594 N TYR A 43 72.326 -3.248 6.928 1.00 0.00 N ATOM 595 CA TYR A 43 72.224 -4.396 5.987 1.00 0.00 C ATOM 596 C TYR A 43 71.295 -4.012 4.843 1.00 0.00 C ATOM 597 O TYR A 43 71.504 -4.385 3.708 1.00 0.00 O ATOM 598 CB TYR A 43 71.638 -5.539 6.817 1.00 0.00 C ATOM 599 CG TYR A 43 71.597 -6.801 5.992 1.00 0.00 C ATOM 600 CD1 TYR A 43 72.789 -7.402 5.571 1.00 0.00 C ATOM 601 CD2 TYR A 43 70.366 -7.371 5.651 1.00 0.00 C ATOM 602 CE1 TYR A 43 72.749 -8.573 4.807 1.00 0.00 C ATOM 603 CE2 TYR A 43 70.326 -8.543 4.887 1.00 0.00 C ATOM 604 CZ TYR A 43 71.518 -9.144 4.465 1.00 0.00 C ATOM 605 OH TYR A 43 71.479 -10.301 3.711 1.00 0.00 O ATOM 0 H TYR A 43 71.938 -3.408 7.858 1.00 0.00 H new ATOM 0 HA TYR A 43 73.180 -4.682 5.549 1.00 0.00 H new ATOM 0 HB2 TYR A 43 72.241 -5.698 7.711 1.00 0.00 H new ATOM 0 HB3 TYR A 43 70.634 -5.280 7.152 1.00 0.00 H new ATOM 0 HD1 TYR A 43 73.739 -6.962 5.836 1.00 0.00 H new ATOM 0 HD2 TYR A 43 69.447 -6.907 5.977 1.00 0.00 H new ATOM 0 HE1 TYR A 43 73.668 -9.037 4.481 1.00 0.00 H new ATOM 0 HE2 TYR A 43 69.376 -8.984 4.623 1.00 0.00 H new ATOM 0 HH TYR A 43 70.547 -10.564 3.564 1.00 0.00 H new ATOM 615 N LEU A 44 70.289 -3.236 5.128 1.00 0.00 N ATOM 616 CA LEU A 44 69.371 -2.792 4.047 1.00 0.00 C ATOM 617 C LEU A 44 70.193 -2.035 3.012 1.00 0.00 C ATOM 618 O LEU A 44 69.970 -2.136 1.824 1.00 0.00 O ATOM 619 CB LEU A 44 68.368 -1.867 4.736 1.00 0.00 C ATOM 620 CG LEU A 44 67.183 -2.688 5.247 1.00 0.00 C ATOM 621 CD1 LEU A 44 66.362 -1.847 6.226 1.00 0.00 C ATOM 622 CD2 LEU A 44 66.302 -3.099 4.065 1.00 0.00 C ATOM 0 H LEU A 44 70.063 -2.891 6.061 1.00 0.00 H new ATOM 0 HA LEU A 44 68.861 -3.610 3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 44 68.848 -1.346 5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 44 68.022 -1.105 4.038 1.00 0.00 H new ATOM 0 HG LEU A 44 67.551 -3.579 5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 44 65.518 -2.433 6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 44 66.989 -1.553 7.068 1.00 0.00 H new ATOM 0 HD13 LEU A 44 65.993 -0.955 5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 44 65.457 -3.684 4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 44 65.935 -2.207 3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 44 66.886 -3.699 3.367 1.00 0.00 H new ATOM 634 N ALA A 45 71.165 -1.293 3.462 1.00 0.00 N ATOM 635 CA ALA A 45 72.027 -0.540 2.516 1.00 0.00 C ATOM 636 C ALA A 45 72.834 -1.519 1.665 1.00 0.00 C ATOM 637 O ALA A 45 73.046 -1.302 0.488 1.00 0.00 O ATOM 638 CB ALA A 45 72.949 0.298 3.402 1.00 0.00 C ATOM 0 H ALA A 45 71.399 -1.177 4.448 1.00 0.00 H new ATOM 0 HA ALA A 45 71.454 0.084 1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 45 73.620 0.886 2.776 1.00 0.00 H new ATOM 0 HB2 ALA A 45 72.350 0.967 4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 45 73.535 -0.361 4.043 1.00 0.00 H new ATOM 644 N GLN A 46 73.283 -2.600 2.244 1.00 0.00 N ATOM 645 CA GLN A 46 74.068 -3.587 1.451 1.00 0.00 C ATOM 646 C GLN A 46 73.154 -4.310 0.459 1.00 0.00 C ATOM 647 O GLN A 46 73.575 -4.718 -0.605 1.00 0.00 O ATOM 648 CB GLN A 46 74.639 -4.558 2.484 1.00 0.00 C ATOM 649 CG GLN A 46 76.164 -4.450 2.490 1.00 0.00 C ATOM 650 CD GLN A 46 76.599 -3.376 3.489 1.00 0.00 C ATOM 651 OE1 GLN A 46 75.792 -2.859 4.234 1.00 0.00 O ATOM 652 NE2 GLN A 46 77.853 -3.016 3.534 1.00 0.00 N ATOM 0 H GLN A 46 73.141 -2.841 3.225 1.00 0.00 H new ATOM 0 HA GLN A 46 74.857 -3.119 0.862 1.00 0.00 H new ATOM 0 HB2 GLN A 46 74.243 -4.329 3.473 1.00 0.00 H new ATOM 0 HB3 GLN A 46 74.336 -5.578 2.248 1.00 0.00 H new ATOM 0 HG2 GLN A 46 76.605 -5.410 2.758 1.00 0.00 H new ATOM 0 HG3 GLN A 46 76.525 -4.200 1.492 1.00 0.00 H new ATOM 0 HE21 GLN A 46 78.531 -3.450 2.908 1.00 0.00 H new ATOM 0 HE22 GLN A 46 78.155 -2.300 4.195 1.00 0.00 H new ATOM 661 N ARG A 47 71.903 -4.458 0.793 1.00 0.00 N ATOM 662 CA ARG A 47 70.960 -5.134 -0.139 1.00 0.00 C ATOM 663 C ARG A 47 70.357 -4.101 -1.087 1.00 0.00 C ATOM 664 O ARG A 47 69.741 -4.434 -2.079 1.00 0.00 O ATOM 665 CB ARG A 47 69.878 -5.742 0.755 1.00 0.00 C ATOM 666 CG ARG A 47 70.400 -7.035 1.380 1.00 0.00 C ATOM 667 CD ARG A 47 70.765 -8.026 0.272 1.00 0.00 C ATOM 668 NE ARG A 47 70.975 -9.323 0.971 1.00 0.00 N ATOM 669 CZ ARG A 47 71.359 -10.377 0.302 1.00 0.00 C ATOM 670 NH1 ARG A 47 71.564 -10.301 -0.986 1.00 0.00 N ATOM 671 NH2 ARG A 47 71.541 -11.511 0.924 1.00 0.00 N ATOM 0 H ARG A 47 71.493 -4.140 1.671 1.00 0.00 H new ATOM 0 HA ARG A 47 71.446 -5.894 -0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 47 69.597 -5.035 1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 47 68.980 -5.945 0.171 1.00 0.00 H new ATOM 0 HG2 ARG A 47 71.273 -6.826 1.998 1.00 0.00 H new ATOM 0 HG3 ARG A 47 69.643 -7.467 2.034 1.00 0.00 H new ATOM 0 HD2 ARG A 47 69.969 -8.101 -0.469 1.00 0.00 H new ATOM 0 HD3 ARG A 47 71.665 -7.713 -0.258 1.00 0.00 H new ATOM 0 HE ARG A 47 70.818 -9.389 1.977 1.00 0.00 H new ATOM 0 HH11 ARG A 47 71.424 -9.416 -1.473 1.00 0.00 H new ATOM 0 HH12 ARG A 47 71.864 -11.127 -1.504 1.00 0.00 H new ATOM 0 HH21 ARG A 47 71.383 -11.572 1.930 1.00 0.00 H new ATOM 0 HH22 ARG A 47 71.841 -12.336 0.404 1.00 0.00 H new ATOM 685 N ILE A 48 70.540 -2.843 -0.789 1.00 0.00 N ATOM 686 CA ILE A 48 69.993 -1.780 -1.673 1.00 0.00 C ATOM 687 C ILE A 48 71.035 -1.410 -2.729 1.00 0.00 C ATOM 688 O ILE A 48 70.708 -0.941 -3.801 1.00 0.00 O ATOM 689 CB ILE A 48 69.706 -0.595 -0.747 1.00 0.00 C ATOM 690 CG1 ILE A 48 68.485 -0.914 0.121 1.00 0.00 C ATOM 691 CG2 ILE A 48 69.424 0.652 -1.586 1.00 0.00 C ATOM 692 CD1 ILE A 48 68.524 -0.063 1.392 1.00 0.00 C ATOM 0 H ILE A 48 71.046 -2.507 0.031 1.00 0.00 H new ATOM 0 HA ILE A 48 69.094 -2.094 -2.204 1.00 0.00 H new ATOM 0 HB ILE A 48 70.570 -0.413 -0.108 1.00 0.00 H new ATOM 0 HG12 ILE A 48 67.569 -0.714 -0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 48 68.477 -1.973 0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 48 69.220 1.496 -0.927 1.00 0.00 H new ATOM 0 HG22 ILE A 48 70.292 0.878 -2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 48 68.559 0.473 -2.225 1.00 0.00 H new ATOM 0 HD11 ILE A 48 67.655 -0.291 2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 48 69.434 -0.285 1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 48 68.512 0.993 1.123 1.00 0.00 H new ATOM 704 N LYS A 49 72.290 -1.626 -2.437 1.00 0.00 N ATOM 705 CA LYS A 49 73.347 -1.297 -3.430 1.00 0.00 C ATOM 706 C LYS A 49 73.533 -2.473 -4.392 1.00 0.00 C ATOM 707 O LYS A 49 74.145 -2.347 -5.434 1.00 0.00 O ATOM 708 CB LYS A 49 74.612 -1.068 -2.602 1.00 0.00 C ATOM 709 CG LYS A 49 75.220 0.288 -2.966 1.00 0.00 C ATOM 710 CD LYS A 49 76.708 0.116 -3.276 1.00 0.00 C ATOM 711 CE LYS A 49 77.535 0.925 -2.274 1.00 0.00 C ATOM 712 NZ LYS A 49 78.720 1.395 -3.043 1.00 0.00 N ATOM 0 H LYS A 49 72.626 -2.015 -1.556 1.00 0.00 H new ATOM 0 HA LYS A 49 73.100 -0.424 -4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 49 74.374 -1.098 -1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 49 75.332 -1.864 -2.791 1.00 0.00 H new ATOM 0 HG2 LYS A 49 74.705 0.709 -3.829 1.00 0.00 H new ATOM 0 HG3 LYS A 49 75.088 0.990 -2.142 1.00 0.00 H new ATOM 0 HD2 LYS A 49 76.982 -0.938 -3.223 1.00 0.00 H new ATOM 0 HD3 LYS A 49 76.920 0.450 -4.292 1.00 0.00 H new ATOM 0 HE2 LYS A 49 76.964 1.764 -1.877 1.00 0.00 H new ATOM 0 HE3 LYS A 49 77.834 0.312 -1.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 79.336 1.958 -2.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 79.248 0.574 -3.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 78.405 1.981 -3.842 1.00 0.00 H new ATOM 726 N ASN A 50 73.004 -3.617 -4.047 1.00 0.00 N ATOM 727 CA ASN A 50 73.144 -4.805 -4.938 1.00 0.00 C ATOM 728 C ASN A 50 71.768 -5.420 -5.232 1.00 0.00 C ATOM 729 O ASN A 50 71.630 -6.261 -6.098 1.00 0.00 O ATOM 730 CB ASN A 50 74.014 -5.790 -4.156 1.00 0.00 C ATOM 731 CG ASN A 50 74.650 -6.787 -5.128 1.00 0.00 C ATOM 732 OD1 ASN A 50 75.542 -6.438 -5.876 1.00 0.00 O ATOM 733 ND2 ASN A 50 74.226 -8.020 -5.149 1.00 0.00 N ATOM 0 H ASN A 50 72.481 -3.780 -3.187 1.00 0.00 H new ATOM 0 HA ASN A 50 73.586 -4.545 -5.900 1.00 0.00 H new ATOM 0 HB2 ASN A 50 74.789 -5.253 -3.609 1.00 0.00 H new ATOM 0 HB3 ASN A 50 73.411 -6.319 -3.418 1.00 0.00 H new ATOM 0 HD21 ASN A 50 74.643 -8.692 -5.793 1.00 0.00 H new ATOM 0 HD22 ASN A 50 73.477 -8.313 -4.521 1.00 0.00 H new ATOM 740 N GLY A 51 70.752 -5.007 -4.517 1.00 0.00 N ATOM 741 CA GLY A 51 69.385 -5.570 -4.753 1.00 0.00 C ATOM 742 C GLY A 51 69.455 -7.101 -4.724 1.00 0.00 C ATOM 743 O GLY A 51 70.525 -7.669 -4.629 1.00 0.00 O ATOM 0 H GLY A 51 70.809 -4.304 -3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 51 68.695 -5.212 -3.989 1.00 0.00 H new ATOM 0 HA3 GLY A 51 69.000 -5.230 -5.715 1.00 0.00 H new ATOM 747 N SER A 52 68.331 -7.777 -4.806 1.00 0.00 N ATOM 748 CA SER A 52 68.360 -9.285 -4.780 1.00 0.00 C ATOM 749 C SER A 52 66.971 -9.867 -4.487 1.00 0.00 C ATOM 750 O SER A 52 66.064 -9.169 -4.078 1.00 0.00 O ATOM 751 CB SER A 52 69.318 -9.660 -3.644 1.00 0.00 C ATOM 752 OG SER A 52 70.480 -10.267 -4.192 1.00 0.00 O ATOM 0 H SER A 52 67.404 -7.360 -4.889 1.00 0.00 H new ATOM 0 HA SER A 52 68.676 -9.681 -5.745 1.00 0.00 H new ATOM 0 HB2 SER A 52 69.592 -8.771 -3.075 1.00 0.00 H new ATOM 0 HB3 SER A 52 68.829 -10.344 -2.951 1.00 0.00 H new ATOM 0 HG SER A 52 71.040 -9.581 -4.613 1.00 0.00 H new ATOM 758 N GLN A 53 66.811 -11.157 -4.676 1.00 0.00 N ATOM 759 CA GLN A 53 65.492 -11.802 -4.395 1.00 0.00 C ATOM 760 C GLN A 53 65.545 -12.535 -3.050 1.00 0.00 C ATOM 761 O GLN A 53 66.395 -12.268 -2.225 1.00 0.00 O ATOM 762 CB GLN A 53 65.245 -12.781 -5.555 1.00 0.00 C ATOM 763 CG GLN A 53 65.964 -14.117 -5.322 1.00 0.00 C ATOM 764 CD GLN A 53 67.466 -13.944 -5.553 1.00 0.00 C ATOM 765 OE1 GLN A 53 67.879 -13.367 -6.540 1.00 0.00 O ATOM 766 NE2 GLN A 53 68.310 -14.423 -4.679 1.00 0.00 N ATOM 0 H GLN A 53 67.538 -11.788 -5.013 1.00 0.00 H new ATOM 0 HA GLN A 53 64.685 -11.073 -4.326 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.175 -12.956 -5.664 1.00 0.00 H new ATOM 0 HB3 GLN A 53 65.592 -12.337 -6.488 1.00 0.00 H new ATOM 0 HG2 GLN A 53 65.781 -14.467 -4.306 1.00 0.00 H new ATOM 0 HG3 GLN A 53 65.568 -14.876 -5.997 1.00 0.00 H new ATOM 0 HE21 GLN A 53 67.966 -14.908 -3.850 1.00 0.00 H new ATOM 0 HE22 GLN A 53 69.313 -14.313 -4.825 1.00 0.00 H new ATOM 775 N GLY A 54 64.642 -13.449 -2.816 1.00 0.00 N ATOM 776 CA GLY A 54 64.653 -14.177 -1.517 1.00 0.00 C ATOM 777 C GLY A 54 64.572 -13.153 -0.388 1.00 0.00 C ATOM 778 O GLY A 54 64.910 -13.426 0.747 1.00 0.00 O ATOM 0 H GLY A 54 63.903 -13.721 -3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.812 -14.868 -1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.561 -14.772 -1.424 1.00 0.00 H new ATOM 782 N VAL A 55 64.127 -11.970 -0.704 1.00 0.00 N ATOM 783 CA VAL A 55 64.014 -10.901 0.323 1.00 0.00 C ATOM 784 C VAL A 55 62.546 -10.722 0.709 1.00 0.00 C ATOM 785 O VAL A 55 62.154 -10.952 1.836 1.00 0.00 O ATOM 786 CB VAL A 55 64.551 -9.656 -0.383 1.00 0.00 C ATOM 787 CG1 VAL A 55 64.502 -8.461 0.560 1.00 0.00 C ATOM 788 CG2 VAL A 55 65.996 -9.909 -0.815 1.00 0.00 C ATOM 0 H VAL A 55 63.834 -11.696 -1.642 1.00 0.00 H new ATOM 0 HA VAL A 55 64.558 -11.118 1.242 1.00 0.00 H new ATOM 0 HB VAL A 55 63.936 -9.442 -1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 55 64.886 -7.578 0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 55 63.472 -8.282 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 55 65.113 -8.666 1.439 1.00 0.00 H new ATOM 0 HG21 VAL A 55 66.385 -9.025 -1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 55 66.606 -10.124 0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 55 66.028 -10.759 -1.497 1.00 0.00 H new ATOM 798 N TRP A 56 61.733 -10.328 -0.229 1.00 0.00 N ATOM 799 CA TRP A 56 60.288 -10.146 0.053 1.00 0.00 C ATOM 800 C TRP A 56 59.480 -11.075 -0.854 1.00 0.00 C ATOM 801 O TRP A 56 58.461 -11.614 -0.468 1.00 0.00 O ATOM 802 CB TRP A 56 60.011 -8.687 -0.293 1.00 0.00 C ATOM 803 CG TRP A 56 60.557 -7.803 0.782 1.00 0.00 C ATOM 804 CD1 TRP A 56 61.753 -7.171 0.733 1.00 0.00 C ATOM 805 CD2 TRP A 56 59.955 -7.438 2.057 1.00 0.00 C ATOM 806 NE1 TRP A 56 61.921 -6.444 1.896 1.00 0.00 N ATOM 807 CE2 TRP A 56 60.842 -6.576 2.743 1.00 0.00 C ATOM 808 CE3 TRP A 56 58.738 -7.770 2.680 1.00 0.00 C ATOM 809 CZ2 TRP A 56 60.532 -6.058 4.000 1.00 0.00 C ATOM 810 CZ3 TRP A 56 58.424 -7.249 3.947 1.00 0.00 C ATOM 811 CH2 TRP A 56 59.320 -6.396 4.605 1.00 0.00 C ATOM 0 H TRP A 56 62.013 -10.123 -1.188 1.00 0.00 H new ATOM 0 HA TRP A 56 60.019 -10.377 1.084 1.00 0.00 H new ATOM 0 HB2 TRP A 56 60.468 -8.437 -1.250 1.00 0.00 H new ATOM 0 HB3 TRP A 56 58.938 -8.526 -0.400 1.00 0.00 H new ATOM 0 HD1 TRP A 56 62.460 -7.226 -0.082 1.00 0.00 H new ATOM 0 HE1 TRP A 56 62.744 -5.878 2.103 1.00 0.00 H new ATOM 0 HE3 TRP A 56 58.042 -8.428 2.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 61.225 -5.399 4.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 57.486 -7.508 4.416 1.00 0.00 H new ATOM 0 HH2 TRP A 56 59.073 -6.000 5.579 1.00 0.00 H new ATOM 822 N GLY A 57 59.944 -11.268 -2.059 1.00 0.00 N ATOM 823 CA GLY A 57 59.228 -12.163 -3.011 1.00 0.00 C ATOM 824 C GLY A 57 60.197 -12.601 -4.116 1.00 0.00 C ATOM 825 O GLY A 57 61.366 -12.271 -4.075 1.00 0.00 O ATOM 0 H GLY A 57 60.794 -10.841 -2.427 1.00 0.00 H new ATOM 0 HA2 GLY A 57 58.838 -13.035 -2.486 1.00 0.00 H new ATOM 0 HA3 GLY A 57 58.374 -11.644 -3.445 1.00 0.00 H new ATOM 829 N PRO A 58 59.681 -13.330 -5.077 1.00 0.00 N ATOM 830 CA PRO A 58 60.511 -13.816 -6.211 1.00 0.00 C ATOM 831 C PRO A 58 60.953 -12.663 -7.130 1.00 0.00 C ATOM 832 O PRO A 58 61.528 -12.892 -8.175 1.00 0.00 O ATOM 833 CB PRO A 58 59.547 -14.747 -6.952 1.00 0.00 C ATOM 834 CG PRO A 58 58.193 -14.747 -6.217 1.00 0.00 C ATOM 835 CD PRO A 58 58.252 -13.723 -5.075 1.00 0.00 C ATOM 0 HA PRO A 58 61.434 -14.296 -5.885 1.00 0.00 H new ATOM 0 HB2 PRO A 58 59.417 -14.414 -7.982 1.00 0.00 H new ATOM 0 HB3 PRO A 58 59.954 -15.757 -6.993 1.00 0.00 H new ATOM 0 HG2 PRO A 58 57.388 -14.496 -6.908 1.00 0.00 H new ATOM 0 HG3 PRO A 58 57.977 -15.740 -5.823 1.00 0.00 H new ATOM 0 HD2 PRO A 58 57.596 -12.872 -5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 58 57.951 -14.159 -4.122 1.00 0.00 H new ATOM 843 N ILE A 59 60.691 -11.435 -6.764 1.00 0.00 N ATOM 844 CA ILE A 59 61.108 -10.293 -7.632 1.00 0.00 C ATOM 845 C ILE A 59 62.313 -9.577 -7.007 1.00 0.00 C ATOM 846 O ILE A 59 62.149 -8.607 -6.297 1.00 0.00 O ATOM 847 CB ILE A 59 59.895 -9.362 -7.673 1.00 0.00 C ATOM 848 CG1 ILE A 59 58.628 -10.186 -7.916 1.00 0.00 C ATOM 849 CG2 ILE A 59 60.067 -8.349 -8.807 1.00 0.00 C ATOM 850 CD1 ILE A 59 57.438 -9.247 -8.122 1.00 0.00 C ATOM 0 H ILE A 59 60.208 -11.174 -5.904 1.00 0.00 H new ATOM 0 HA ILE A 59 61.406 -10.615 -8.630 1.00 0.00 H new ATOM 0 HB ILE A 59 59.810 -8.834 -6.723 1.00 0.00 H new ATOM 0 HG12 ILE A 59 58.758 -10.822 -8.791 1.00 0.00 H new ATOM 0 HG13 ILE A 59 58.442 -10.845 -7.068 1.00 0.00 H new ATOM 0 HG21 ILE A 59 59.203 -7.686 -8.836 1.00 0.00 H new ATOM 0 HG22 ILE A 59 60.969 -7.762 -8.637 1.00 0.00 H new ATOM 0 HG23 ILE A 59 60.151 -8.877 -9.757 1.00 0.00 H new ATOM 0 HD11 ILE A 59 56.536 -9.835 -8.295 1.00 0.00 H new ATOM 0 HD12 ILE A 59 57.304 -8.629 -7.234 1.00 0.00 H new ATOM 0 HD13 ILE A 59 57.625 -8.607 -8.984 1.00 0.00 H new ATOM 862 N PRO A 60 63.491 -10.083 -7.288 1.00 0.00 N ATOM 863 CA PRO A 60 64.735 -9.489 -6.739 1.00 0.00 C ATOM 864 C PRO A 60 64.814 -8.003 -7.062 1.00 0.00 C ATOM 865 O PRO A 60 64.594 -7.590 -8.184 1.00 0.00 O ATOM 866 CB PRO A 60 65.830 -10.249 -7.497 1.00 0.00 C ATOM 867 CG PRO A 60 65.158 -11.248 -8.459 1.00 0.00 C ATOM 868 CD PRO A 60 63.651 -11.259 -8.172 1.00 0.00 C ATOM 0 HA PRO A 60 64.808 -9.570 -5.654 1.00 0.00 H new ATOM 0 HB2 PRO A 60 66.458 -9.553 -8.053 1.00 0.00 H new ATOM 0 HB3 PRO A 60 66.479 -10.776 -6.797 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.345 -10.962 -9.494 1.00 0.00 H new ATOM 0 HG3 PRO A 60 65.577 -12.245 -8.324 1.00 0.00 H new ATOM 0 HD2 PRO A 60 63.062 -11.165 -9.085 1.00 0.00 H new ATOM 0 HD3 PRO A 60 63.337 -12.181 -7.683 1.00 0.00 H new ATOM 876 N MET A 61 65.149 -7.195 -6.101 1.00 0.00 N ATOM 877 CA MET A 61 65.263 -5.746 -6.382 1.00 0.00 C ATOM 878 C MET A 61 66.493 -5.500 -7.255 1.00 0.00 C ATOM 879 O MET A 61 67.558 -6.000 -6.949 1.00 0.00 O ATOM 880 CB MET A 61 65.454 -5.093 -5.021 1.00 0.00 C ATOM 881 CG MET A 61 65.717 -3.602 -5.217 1.00 0.00 C ATOM 882 SD MET A 61 67.417 -3.220 -4.742 1.00 0.00 S ATOM 883 CE MET A 61 67.048 -2.720 -3.044 1.00 0.00 C ATOM 0 H MET A 61 65.347 -7.474 -5.140 1.00 0.00 H new ATOM 0 HA MET A 61 64.393 -5.350 -6.905 1.00 0.00 H new ATOM 0 HB2 MET A 61 64.567 -5.241 -4.405 1.00 0.00 H new ATOM 0 HB3 MET A 61 66.289 -5.556 -4.495 1.00 0.00 H new ATOM 0 HG2 MET A 61 65.549 -3.326 -6.258 1.00 0.00 H new ATOM 0 HG3 MET A 61 65.021 -3.017 -4.616 1.00 0.00 H new ATOM 0 HE1 MET A 61 67.310 -1.671 -2.908 1.00 0.00 H new ATOM 0 HE2 MET A 61 65.985 -2.856 -2.848 1.00 0.00 H new ATOM 0 HE3 MET A 61 67.626 -3.331 -2.351 1.00 0.00 H new ATOM 893 N PRO A 62 66.322 -4.737 -8.310 1.00 0.00 N ATOM 894 CA PRO A 62 67.454 -4.432 -9.210 1.00 0.00 C ATOM 895 C PRO A 62 68.510 -3.619 -8.448 1.00 0.00 C ATOM 896 O PRO A 62 68.177 -2.644 -7.805 1.00 0.00 O ATOM 897 CB PRO A 62 66.798 -3.589 -10.308 1.00 0.00 C ATOM 898 CG PRO A 62 65.297 -3.446 -9.989 1.00 0.00 C ATOM 899 CD PRO A 62 65.007 -4.151 -8.657 1.00 0.00 C ATOM 0 HA PRO A 62 67.964 -5.312 -9.601 1.00 0.00 H new ATOM 0 HB2 PRO A 62 67.268 -2.607 -10.363 1.00 0.00 H new ATOM 0 HB3 PRO A 62 66.934 -4.062 -11.280 1.00 0.00 H new ATOM 0 HG2 PRO A 62 65.023 -2.393 -9.927 1.00 0.00 H new ATOM 0 HG3 PRO A 62 64.698 -3.885 -10.787 1.00 0.00 H new ATOM 0 HD2 PRO A 62 64.661 -3.452 -7.895 1.00 0.00 H new ATOM 0 HD3 PRO A 62 64.237 -4.916 -8.762 1.00 0.00 H new ATOM 907 N PRO A 63 69.746 -4.043 -8.529 1.00 0.00 N ATOM 908 CA PRO A 63 70.832 -3.332 -7.818 1.00 0.00 C ATOM 909 C PRO A 63 70.918 -1.879 -8.294 1.00 0.00 C ATOM 910 O PRO A 63 70.805 -1.593 -9.470 1.00 0.00 O ATOM 911 CB PRO A 63 72.075 -4.126 -8.222 1.00 0.00 C ATOM 912 CG PRO A 63 71.649 -5.268 -9.165 1.00 0.00 C ATOM 913 CD PRO A 63 70.124 -5.234 -9.324 1.00 0.00 C ATOM 0 HA PRO A 63 70.694 -3.280 -6.738 1.00 0.00 H new ATOM 0 HB2 PRO A 63 72.794 -3.475 -8.719 1.00 0.00 H new ATOM 0 HB3 PRO A 63 72.568 -4.530 -7.338 1.00 0.00 H new ATOM 0 HG2 PRO A 63 72.132 -5.156 -10.136 1.00 0.00 H new ATOM 0 HG3 PRO A 63 71.965 -6.229 -8.760 1.00 0.00 H new ATOM 0 HD2 PRO A 63 69.827 -5.136 -10.368 1.00 0.00 H new ATOM 0 HD3 PRO A 63 69.656 -6.142 -8.943 1.00 0.00 H new ATOM 921 N ASN A 64 71.112 -0.958 -7.391 1.00 0.00 N ATOM 922 CA ASN A 64 71.199 0.475 -7.792 1.00 0.00 C ATOM 923 C ASN A 64 72.629 0.993 -7.616 1.00 0.00 C ATOM 924 O ASN A 64 73.423 0.422 -6.897 1.00 0.00 O ATOM 925 CB ASN A 64 70.244 1.205 -6.848 1.00 0.00 C ATOM 926 CG ASN A 64 68.850 0.586 -6.956 1.00 0.00 C ATOM 927 OD1 ASN A 64 68.631 -0.591 -6.437 1.00 0.00 O flip ATOM 928 ND2 ASN A 64 67.950 1.178 -7.519 1.00 0.00 N flip ATOM 0 H ASN A 64 71.214 -1.136 -6.392 1.00 0.00 H new ATOM 0 HA ASN A 64 70.937 0.627 -8.839 1.00 0.00 H new ATOM 0 HB2 ASN A 64 70.606 1.136 -5.822 1.00 0.00 H new ATOM 0 HB3 ASN A 64 70.204 2.264 -7.101 1.00 0.00 H new ATOM 0 HD21 ASN A 64 68.120 2.098 -7.925 1.00 0.00 H new ATOM 0 HD22 ASN A 64 67.024 0.755 -7.585 1.00 0.00 H new ATOM 935 N ALA A 65 72.959 2.075 -8.269 1.00 0.00 N ATOM 936 CA ALA A 65 74.335 2.634 -8.142 1.00 0.00 C ATOM 937 C ALA A 65 74.397 3.619 -6.974 1.00 0.00 C ATOM 938 O ALA A 65 75.088 4.616 -7.024 1.00 0.00 O ATOM 939 CB ALA A 65 74.595 3.353 -9.466 1.00 0.00 C ATOM 0 H ALA A 65 72.335 2.596 -8.885 1.00 0.00 H new ATOM 0 HA ALA A 65 75.079 1.862 -7.946 1.00 0.00 H new ATOM 0 HB1 ALA A 65 75.592 3.793 -9.451 1.00 0.00 H new ATOM 0 HB2 ALA A 65 74.525 2.640 -10.287 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.853 4.139 -9.605 1.00 0.00 H new ATOM 945 N VAL A 66 73.677 3.344 -5.923 1.00 0.00 N ATOM 946 CA VAL A 66 73.691 4.262 -4.749 1.00 0.00 C ATOM 947 C VAL A 66 74.942 4.013 -3.904 1.00 0.00 C ATOM 948 O VAL A 66 75.146 2.931 -3.391 1.00 0.00 O ATOM 949 CB VAL A 66 72.431 3.910 -3.956 1.00 0.00 C ATOM 950 CG1 VAL A 66 71.194 4.308 -4.761 1.00 0.00 C ATOM 951 CG2 VAL A 66 72.404 2.404 -3.691 1.00 0.00 C ATOM 0 H VAL A 66 73.079 2.523 -5.825 1.00 0.00 H new ATOM 0 HA VAL A 66 73.707 5.311 -5.043 1.00 0.00 H new ATOM 0 HB VAL A 66 72.435 4.448 -3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 66 70.296 4.057 -4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 66 71.214 5.381 -4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 66 71.188 3.770 -5.709 1.00 0.00 H new ATOM 0 HG21 VAL A 66 71.507 2.150 -3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 66 72.399 1.868 -4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 66 73.287 2.120 -3.118 1.00 0.00 H new ATOM 961 N SER A 67 75.778 5.003 -3.750 1.00 0.00 N ATOM 962 CA SER A 67 77.008 4.811 -2.930 1.00 0.00 C ATOM 963 C SER A 67 76.646 4.110 -1.620 1.00 0.00 C ATOM 964 O SER A 67 75.489 3.914 -1.316 1.00 0.00 O ATOM 965 CB SER A 67 77.527 6.223 -2.660 1.00 0.00 C ATOM 966 OG SER A 67 78.692 6.454 -3.442 1.00 0.00 O ATOM 0 H SER A 67 75.664 5.932 -4.154 1.00 0.00 H new ATOM 0 HA SER A 67 77.756 4.196 -3.430 1.00 0.00 H new ATOM 0 HB2 SER A 67 76.760 6.958 -2.904 1.00 0.00 H new ATOM 0 HB3 SER A 67 77.757 6.342 -1.601 1.00 0.00 H new ATOM 0 HG SER A 67 79.026 7.360 -3.272 1.00 0.00 H new ATOM 972 N ASP A 68 77.618 3.731 -0.838 1.00 0.00 N ATOM 973 CA ASP A 68 77.301 3.047 0.447 1.00 0.00 C ATOM 974 C ASP A 68 76.647 4.034 1.416 1.00 0.00 C ATOM 975 O ASP A 68 75.724 3.697 2.131 1.00 0.00 O ATOM 976 CB ASP A 68 78.647 2.568 0.992 1.00 0.00 C ATOM 977 CG ASP A 68 78.444 1.272 1.780 1.00 0.00 C ATOM 978 OD1 ASP A 68 77.308 0.982 2.120 1.00 0.00 O ATOM 979 OD2 ASP A 68 79.426 0.594 2.030 1.00 0.00 O ATOM 0 H ASP A 68 78.611 3.864 -1.031 1.00 0.00 H new ATOM 0 HA ASP A 68 76.604 2.219 0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 68 79.346 2.402 0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 68 79.085 3.332 1.634 1.00 0.00 H new ATOM 984 N ASP A 69 77.112 5.253 1.441 1.00 0.00 N ATOM 985 CA ASP A 69 76.508 6.259 2.360 1.00 0.00 C ATOM 986 C ASP A 69 75.098 6.617 1.885 1.00 0.00 C ATOM 987 O ASP A 69 74.210 6.864 2.676 1.00 0.00 O ATOM 988 CB ASP A 69 77.428 7.478 2.277 1.00 0.00 C ATOM 989 CG ASP A 69 78.444 7.429 3.419 1.00 0.00 C ATOM 990 OD1 ASP A 69 78.832 6.335 3.795 1.00 0.00 O ATOM 991 OD2 ASP A 69 78.817 8.487 3.899 1.00 0.00 O ATOM 0 H ASP A 69 77.882 5.595 0.866 1.00 0.00 H new ATOM 0 HA ASP A 69 76.419 5.889 3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 69 77.944 7.493 1.317 1.00 0.00 H new ATOM 0 HB3 ASP A 69 76.841 8.395 2.337 1.00 0.00 H new ATOM 996 N GLU A 70 74.888 6.642 0.598 1.00 0.00 N ATOM 997 CA GLU A 70 73.535 6.981 0.071 1.00 0.00 C ATOM 998 C GLU A 70 72.566 5.829 0.338 1.00 0.00 C ATOM 999 O GLU A 70 71.417 6.037 0.672 1.00 0.00 O ATOM 1000 CB GLU A 70 73.732 7.186 -1.431 1.00 0.00 C ATOM 1001 CG GLU A 70 74.451 8.515 -1.674 1.00 0.00 C ATOM 1002 CD GLU A 70 73.534 9.453 -2.462 1.00 0.00 C ATOM 1003 OE1 GLU A 70 73.180 9.104 -3.577 1.00 0.00 O ATOM 1004 OE2 GLU A 70 73.203 10.505 -1.938 1.00 0.00 O ATOM 0 H GLU A 70 75.593 6.443 -0.111 1.00 0.00 H new ATOM 0 HA GLU A 70 73.114 7.867 0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 70 74.314 6.364 -1.848 1.00 0.00 H new ATOM 0 HB3 GLU A 70 72.768 7.184 -1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 70 74.726 8.971 -0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 70 75.376 8.345 -2.225 1.00 0.00 H new ATOM 1011 N ALA A 71 73.021 4.615 0.207 1.00 0.00 N ATOM 1012 CA ALA A 71 72.127 3.453 0.468 1.00 0.00 C ATOM 1013 C ALA A 71 71.884 3.333 1.972 1.00 0.00 C ATOM 1014 O ALA A 71 70.895 2.781 2.412 1.00 0.00 O ATOM 1015 CB ALA A 71 72.885 2.234 -0.058 1.00 0.00 C ATOM 0 H ALA A 71 73.973 4.377 -0.070 1.00 0.00 H new ATOM 0 HA ALA A 71 71.155 3.552 -0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 71 72.286 1.337 0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 71 73.078 2.358 -1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 71 73.832 2.137 0.474 1.00 0.00 H new ATOM 1021 N GLN A 72 72.772 3.874 2.762 1.00 0.00 N ATOM 1022 CA GLN A 72 72.583 3.820 4.238 1.00 0.00 C ATOM 1023 C GLN A 72 71.450 4.765 4.607 1.00 0.00 C ATOM 1024 O GLN A 72 70.592 4.454 5.407 1.00 0.00 O ATOM 1025 CB GLN A 72 73.906 4.295 4.835 1.00 0.00 C ATOM 1026 CG GLN A 72 74.750 3.085 5.233 1.00 0.00 C ATOM 1027 CD GLN A 72 76.176 3.541 5.549 1.00 0.00 C ATOM 1028 OE1 GLN A 72 77.124 2.823 5.302 1.00 0.00 O ATOM 1029 NE2 GLN A 72 76.368 4.713 6.089 1.00 0.00 N ATOM 0 H GLN A 72 73.618 4.350 2.449 1.00 0.00 H new ATOM 0 HA GLN A 72 72.328 2.826 4.605 1.00 0.00 H new ATOM 0 HB2 GLN A 72 74.445 4.905 4.111 1.00 0.00 H new ATOM 0 HB3 GLN A 72 73.719 4.924 5.706 1.00 0.00 H new ATOM 0 HG2 GLN A 72 74.313 2.593 6.102 1.00 0.00 H new ATOM 0 HG3 GLN A 72 74.761 2.354 4.425 1.00 0.00 H new ATOM 0 HE21 GLN A 72 75.572 5.316 6.296 1.00 0.00 H new ATOM 0 HE22 GLN A 72 77.314 5.027 6.304 1.00 0.00 H new ATOM 1038 N THR A 73 71.430 5.915 3.995 1.00 0.00 N ATOM 1039 CA THR A 73 70.339 6.882 4.266 1.00 0.00 C ATOM 1040 C THR A 73 69.064 6.355 3.613 1.00 0.00 C ATOM 1041 O THR A 73 67.964 6.645 4.039 1.00 0.00 O ATOM 1042 CB THR A 73 70.791 8.186 3.606 1.00 0.00 C ATOM 1043 OG1 THR A 73 72.211 8.250 3.611 1.00 0.00 O ATOM 1044 CG2 THR A 73 70.224 9.379 4.375 1.00 0.00 C ATOM 0 H THR A 73 72.126 6.225 3.317 1.00 0.00 H new ATOM 0 HA THR A 73 70.139 7.030 5.327 1.00 0.00 H new ATOM 0 HB THR A 73 70.427 8.215 2.579 1.00 0.00 H new ATOM 0 HG1 THR A 73 72.563 7.768 2.833 1.00 0.00 H new ATOM 0 HG21 THR A 73 70.549 10.305 3.901 1.00 0.00 H new ATOM 0 HG22 THR A 73 69.135 9.331 4.370 1.00 0.00 H new ATOM 0 HG23 THR A 73 70.583 9.353 5.404 1.00 0.00 H new ATOM 1052 N LEU A 74 69.216 5.562 2.584 1.00 0.00 N ATOM 1053 CA LEU A 74 68.024 4.986 1.902 1.00 0.00 C ATOM 1054 C LEU A 74 67.401 3.921 2.804 1.00 0.00 C ATOM 1055 O LEU A 74 66.205 3.709 2.803 1.00 0.00 O ATOM 1056 CB LEU A 74 68.558 4.356 0.612 1.00 0.00 C ATOM 1057 CG LEU A 74 68.902 5.455 -0.394 1.00 0.00 C ATOM 1058 CD1 LEU A 74 69.818 4.884 -1.478 1.00 0.00 C ATOM 1059 CD2 LEU A 74 67.614 5.973 -1.039 1.00 0.00 C ATOM 0 H LEU A 74 70.116 5.290 2.188 1.00 0.00 H new ATOM 0 HA LEU A 74 67.258 5.731 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 74 69.443 3.757 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 74 67.812 3.683 0.189 1.00 0.00 H new ATOM 0 HG LEU A 74 69.409 6.273 0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 74 70.064 5.667 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 74 70.734 4.510 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 74 69.310 4.068 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 74 67.856 6.757 -1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 74 67.109 5.154 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 74 66.958 6.377 -0.268 1.00 0.00 H new ATOM 1071 N ALA A 75 68.210 3.260 3.585 1.00 0.00 N ATOM 1072 CA ALA A 75 67.676 2.219 4.504 1.00 0.00 C ATOM 1073 C ALA A 75 66.941 2.889 5.663 1.00 0.00 C ATOM 1074 O ALA A 75 65.791 2.602 5.934 1.00 0.00 O ATOM 1075 CB ALA A 75 68.908 1.466 5.007 1.00 0.00 C ATOM 0 H ALA A 75 69.220 3.397 3.626 1.00 0.00 H new ATOM 0 HA ALA A 75 66.967 1.549 4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 75 68.598 0.678 5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 75 69.435 1.024 4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 75 69.571 2.158 5.526 1.00 0.00 H new ATOM 1081 N LYS A 76 67.591 3.795 6.343 1.00 0.00 N ATOM 1082 CA LYS A 76 66.915 4.490 7.470 1.00 0.00 C ATOM 1083 C LYS A 76 65.754 5.320 6.921 1.00 0.00 C ATOM 1084 O LYS A 76 64.827 5.658 7.630 1.00 0.00 O ATOM 1085 CB LYS A 76 67.986 5.386 8.096 1.00 0.00 C ATOM 1086 CG LYS A 76 68.542 6.344 7.041 1.00 0.00 C ATOM 1087 CD LYS A 76 69.199 7.538 7.738 1.00 0.00 C ATOM 1088 CE LYS A 76 68.115 8.412 8.373 1.00 0.00 C ATOM 1089 NZ LYS A 76 68.853 9.537 9.011 1.00 0.00 N ATOM 0 H LYS A 76 68.554 4.081 6.167 1.00 0.00 H new ATOM 0 HA LYS A 76 66.503 3.801 8.208 1.00 0.00 H new ATOM 0 HB2 LYS A 76 67.561 5.951 8.926 1.00 0.00 H new ATOM 0 HB3 LYS A 76 68.790 4.775 8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 76 69.269 5.829 6.413 1.00 0.00 H new ATOM 0 HG3 LYS A 76 67.741 6.686 6.386 1.00 0.00 H new ATOM 0 HD2 LYS A 76 69.895 7.190 8.501 1.00 0.00 H new ATOM 0 HD3 LYS A 76 69.777 8.120 7.020 1.00 0.00 H new ATOM 0 HE2 LYS A 76 67.412 8.776 7.624 1.00 0.00 H new ATOM 0 HE3 LYS A 76 67.537 7.852 9.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 68.176 10.181 9.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 69.510 9.161 9.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 69.389 10.056 8.286 1.00 0.00 H new ATOM 1103 N TRP A 77 65.791 5.633 5.653 1.00 0.00 N ATOM 1104 CA TRP A 77 64.682 6.421 5.048 1.00 0.00 C ATOM 1105 C TRP A 77 63.431 5.548 4.961 1.00 0.00 C ATOM 1106 O TRP A 77 62.339 5.978 5.275 1.00 0.00 O ATOM 1107 CB TRP A 77 65.173 6.795 3.648 1.00 0.00 C ATOM 1108 CG TRP A 77 64.048 7.401 2.868 1.00 0.00 C ATOM 1109 CD1 TRP A 77 63.482 8.601 3.129 1.00 0.00 C ATOM 1110 CD2 TRP A 77 63.346 6.860 1.710 1.00 0.00 C ATOM 1111 NE1 TRP A 77 62.480 8.832 2.203 1.00 0.00 N ATOM 1112 CE2 TRP A 77 62.357 7.789 1.309 1.00 0.00 C ATOM 1113 CE3 TRP A 77 63.471 5.667 0.974 1.00 0.00 C ATOM 1114 CZ2 TRP A 77 61.521 7.544 0.220 1.00 0.00 C ATOM 1115 CZ3 TRP A 77 62.630 5.417 -0.124 1.00 0.00 C ATOM 1116 CH2 TRP A 77 61.659 6.355 -0.500 1.00 0.00 C ATOM 0 H TRP A 77 66.542 5.376 5.012 1.00 0.00 H new ATOM 0 HA TRP A 77 64.427 7.305 5.632 1.00 0.00 H new ATOM 0 HB2 TRP A 77 66.002 7.500 3.718 1.00 0.00 H new ATOM 0 HB3 TRP A 77 65.550 5.910 3.135 1.00 0.00 H new ATOM 0 HD1 TRP A 77 63.765 9.269 3.929 1.00 0.00 H new ATOM 0 HE1 TRP A 77 61.902 9.672 2.184 1.00 0.00 H new ATOM 0 HE3 TRP A 77 64.218 4.939 1.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 60.772 8.268 -0.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 62.733 4.497 -0.681 1.00 0.00 H new ATOM 0 HH2 TRP A 77 61.017 6.159 -1.346 1.00 0.00 H new ATOM 1127 N ILE A 78 63.587 4.319 4.544 1.00 0.00 N ATOM 1128 CA ILE A 78 62.410 3.411 4.442 1.00 0.00 C ATOM 1129 C ILE A 78 61.799 3.191 5.829 1.00 0.00 C ATOM 1130 O ILE A 78 60.603 3.303 6.018 1.00 0.00 O ATOM 1131 CB ILE A 78 62.965 2.093 3.901 1.00 0.00 C ATOM 1132 CG1 ILE A 78 63.469 2.285 2.467 1.00 0.00 C ATOM 1133 CG2 ILE A 78 61.859 1.037 3.915 1.00 0.00 C ATOM 1134 CD1 ILE A 78 64.683 1.385 2.230 1.00 0.00 C ATOM 0 H ILE A 78 64.479 3.906 4.270 1.00 0.00 H new ATOM 0 HA ILE A 78 61.630 3.821 3.800 1.00 0.00 H new ATOM 0 HB ILE A 78 63.795 1.768 4.529 1.00 0.00 H new ATOM 0 HG12 ILE A 78 62.679 2.043 1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 78 63.738 3.328 2.301 1.00 0.00 H new ATOM 0 HG21 ILE A 78 62.250 0.095 3.530 1.00 0.00 H new ATOM 0 HG22 ILE A 78 61.506 0.893 4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 78 61.031 1.369 3.289 1.00 0.00 H new ATOM 0 HD11 ILE A 78 65.043 1.520 1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.474 1.649 2.932 1.00 0.00 H new ATOM 0 HD13 ILE A 78 64.398 0.343 2.379 1.00 0.00 H new ATOM 1146 N LEU A 79 62.614 2.871 6.799 1.00 0.00 N ATOM 1147 CA LEU A 79 62.086 2.633 8.173 1.00 0.00 C ATOM 1148 C LEU A 79 61.590 3.944 8.791 1.00 0.00 C ATOM 1149 O LEU A 79 60.964 3.949 9.833 1.00 0.00 O ATOM 1150 CB LEU A 79 63.274 2.090 8.967 1.00 0.00 C ATOM 1151 CG LEU A 79 63.425 0.589 8.708 1.00 0.00 C ATOM 1152 CD1 LEU A 79 64.631 0.346 7.799 1.00 0.00 C ATOM 1153 CD2 LEU A 79 63.637 -0.136 10.040 1.00 0.00 C ATOM 0 H LEU A 79 63.623 2.764 6.698 1.00 0.00 H new ATOM 0 HA LEU A 79 61.242 1.943 8.172 1.00 0.00 H new ATOM 0 HB2 LEU A 79 64.186 2.612 8.678 1.00 0.00 H new ATOM 0 HB3 LEU A 79 63.126 2.272 10.031 1.00 0.00 H new ATOM 0 HG LEU A 79 62.525 0.210 8.224 1.00 0.00 H new ATOM 0 HD11 LEU A 79 64.738 -0.723 7.615 1.00 0.00 H new ATOM 0 HD12 LEU A 79 64.483 0.864 6.852 1.00 0.00 H new ATOM 0 HD13 LEU A 79 65.532 0.723 8.282 1.00 0.00 H new ATOM 0 HD21 LEU A 79 63.745 -1.205 9.859 1.00 0.00 H new ATOM 0 HD22 LEU A 79 64.538 0.243 10.521 1.00 0.00 H new ATOM 0 HD23 LEU A 79 62.779 0.037 10.689 1.00 0.00 H new ATOM 1165 N SER A 80 61.864 5.054 8.162 1.00 0.00 N ATOM 1166 CA SER A 80 61.407 6.356 8.729 1.00 0.00 C ATOM 1167 C SER A 80 60.262 6.938 7.894 1.00 0.00 C ATOM 1168 O SER A 80 59.686 7.949 8.241 1.00 0.00 O ATOM 1169 CB SER A 80 62.631 7.268 8.666 1.00 0.00 C ATOM 1170 OG SER A 80 62.369 8.454 9.405 1.00 0.00 O ATOM 0 H SER A 80 62.381 5.117 7.285 1.00 0.00 H new ATOM 0 HA SER A 80 61.028 6.247 9.745 1.00 0.00 H new ATOM 0 HB2 SER A 80 63.502 6.756 9.074 1.00 0.00 H new ATOM 0 HB3 SER A 80 62.863 7.515 7.630 1.00 0.00 H new ATOM 0 HG SER A 80 61.442 8.735 9.255 1.00 0.00 H new