USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=16 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 : no HE2:sc= -2.06 X(o=-3.4,f=-3.2) USER MOD Set 1.2: A 27 TYR OH : rot -137:sc= -1.3 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN :FLIP amide:sc= -1.64 F(o=-4!,f=-1.6) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot -120:sc= -3.44! USER MOD Single : A 13 MET CE :methyl -135:sc= -0.104 (180deg=-1.1) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -2.81! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) 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 K(o=0,f=-3!) USER MOD Single : A 43 TYR OH : rot 180:sc= -2.79! USER MOD Single : A 46 GLN : amide:sc=-0.00249 X(o=-0.0025,f=-0.15) 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 72:sc= 0.721 USER MOD Single : A 53 GLN : amide:sc= -3.07! C(o=-3.1!,f=-7!) USER MOD Single : A 61 MET CE :methyl -132:sc= -3.39! (180deg=-6.88!) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.512 F(o=-2,f=-0.51) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0542 X(o=-0.054,f=-0.35) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.0146) USER MOD Single : A 80 SER OG : rot 92:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 30 N PRO A 3 66.163 12.753 2.533 1.00 0.00 N ATOM 31 CA PRO A 3 66.411 11.428 1.920 1.00 0.00 C ATOM 32 C PRO A 3 65.316 11.098 0.906 1.00 0.00 C ATOM 33 O PRO A 3 65.478 10.241 0.060 1.00 0.00 O ATOM 34 CB PRO A 3 66.360 10.482 3.123 1.00 0.00 C ATOM 35 CG PRO A 3 66.082 11.312 4.392 1.00 0.00 C ATOM 36 CD PRO A 3 65.971 12.792 4.001 1.00 0.00 C ATOM 0 HA PRO A 3 67.350 11.365 1.371 1.00 0.00 H new ATOM 0 HB2 PRO A 3 65.580 9.734 2.983 1.00 0.00 H new ATOM 0 HB3 PRO A 3 67.303 9.945 3.222 1.00 0.00 H new ATOM 0 HG2 PRO A 3 65.160 10.977 4.867 1.00 0.00 H new ATOM 0 HG3 PRO A 3 66.884 11.172 5.117 1.00 0.00 H new ATOM 0 HD2 PRO A 3 65.002 13.211 4.272 1.00 0.00 H new ATOM 0 HD3 PRO A 3 66.730 13.399 4.493 1.00 0.00 H new ATOM 44 N GLU A 4 64.206 11.776 0.975 1.00 0.00 N ATOM 45 CA GLU A 4 63.113 11.505 0.001 1.00 0.00 C ATOM 46 C GLU A 4 63.536 12.011 -1.379 1.00 0.00 C ATOM 47 O GLU A 4 63.306 11.372 -2.389 1.00 0.00 O ATOM 48 CB GLU A 4 61.910 12.295 0.521 1.00 0.00 C ATOM 49 CG GLU A 4 60.746 12.158 -0.463 1.00 0.00 C ATOM 50 CD GLU A 4 59.569 13.005 0.023 1.00 0.00 C ATOM 51 OE1 GLU A 4 59.219 12.887 1.186 1.00 0.00 O ATOM 52 OE2 GLU A 4 59.036 13.756 -0.777 1.00 0.00 O ATOM 0 H GLU A 4 64.008 12.504 1.661 1.00 0.00 H new ATOM 0 HA GLU A 4 62.882 10.444 -0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 4 61.615 11.925 1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 4 62.176 13.345 0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 4 61.055 12.481 -1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 4 60.447 11.113 -0.547 1.00 0.00 H new ATOM 59 N VAL A 5 64.165 13.153 -1.425 1.00 0.00 N ATOM 60 CA VAL A 5 64.617 13.704 -2.730 1.00 0.00 C ATOM 61 C VAL A 5 65.593 12.736 -3.396 1.00 0.00 C ATOM 62 O VAL A 5 65.399 12.320 -4.520 1.00 0.00 O ATOM 63 CB VAL A 5 65.315 15.019 -2.387 1.00 0.00 C ATOM 64 CG1 VAL A 5 65.979 15.586 -3.643 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.287 16.024 -1.859 1.00 0.00 C ATOM 0 H VAL A 5 64.385 13.728 -0.612 1.00 0.00 H new ATOM 0 HA VAL A 5 63.791 13.854 -3.425 1.00 0.00 H new ATOM 0 HB VAL A 5 66.071 14.838 -1.623 1.00 0.00 H new ATOM 0 HG11 VAL A 5 66.477 16.524 -3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 5 66.712 14.873 -4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 5 65.221 15.765 -4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 5 64.787 16.961 -1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 5 63.530 16.205 -2.622 1.00 0.00 H new ATOM 0 HG23 VAL A 5 63.812 15.622 -0.964 1.00 0.00 H new ATOM 75 N LEU A 6 66.638 12.367 -2.708 1.00 0.00 N ATOM 76 CA LEU A 6 67.619 11.420 -3.311 1.00 0.00 C ATOM 77 C LEU A 6 66.938 10.077 -3.583 1.00 0.00 C ATOM 78 O LEU A 6 67.254 9.388 -4.531 1.00 0.00 O ATOM 79 CB LEU A 6 68.741 11.278 -2.271 1.00 0.00 C ATOM 80 CG LEU A 6 68.342 10.263 -1.196 1.00 0.00 C ATOM 81 CD1 LEU A 6 68.657 8.847 -1.685 1.00 0.00 C ATOM 82 CD2 LEU A 6 69.130 10.546 0.086 1.00 0.00 C ATOM 0 H LEU A 6 66.855 12.677 -1.761 1.00 0.00 H new ATOM 0 HA LEU A 6 68.012 11.773 -4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 6 69.661 10.958 -2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 6 68.944 12.245 -1.811 1.00 0.00 H new ATOM 0 HG LEU A 6 67.274 10.347 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 6 68.373 8.126 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 6 68.098 8.645 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 6 69.725 8.761 -1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 6 68.848 9.825 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 6 70.198 10.461 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 6 68.906 11.554 0.436 1.00 0.00 H new ATOM 94 N ALA A 7 65.995 9.710 -2.764 1.00 0.00 N ATOM 95 CA ALA A 7 65.285 8.421 -2.980 1.00 0.00 C ATOM 96 C ALA A 7 64.492 8.487 -4.285 1.00 0.00 C ATOM 97 O ALA A 7 64.171 7.480 -4.881 1.00 0.00 O ATOM 98 CB ALA A 7 64.345 8.280 -1.784 1.00 0.00 C ATOM 0 H ALA A 7 65.685 10.247 -1.954 1.00 0.00 H new ATOM 0 HA ALA A 7 65.966 7.573 -3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 7 63.783 7.350 -1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 7 64.928 8.268 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 7 63.652 9.121 -1.764 1.00 0.00 H new ATOM 104 N LYS A 8 64.178 9.672 -4.733 1.00 0.00 N ATOM 105 CA LYS A 8 63.407 9.810 -6.002 1.00 0.00 C ATOM 106 C LYS A 8 64.345 9.714 -7.211 1.00 0.00 C ATOM 107 O LYS A 8 64.103 8.963 -8.135 1.00 0.00 O ATOM 108 CB LYS A 8 62.768 11.197 -5.930 1.00 0.00 C ATOM 109 CG LYS A 8 61.580 11.259 -6.894 1.00 0.00 C ATOM 110 CD LYS A 8 61.331 12.709 -7.312 1.00 0.00 C ATOM 111 CE LYS A 8 60.083 13.240 -6.601 1.00 0.00 C ATOM 112 NZ LYS A 8 59.062 13.392 -7.675 1.00 0.00 N ATOM 0 H LYS A 8 64.422 10.550 -4.276 1.00 0.00 H new ATOM 0 HA LYS A 8 62.662 9.022 -6.117 1.00 0.00 H new ATOM 0 HB2 LYS A 8 62.436 11.405 -4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 8 63.501 11.961 -6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 8 61.780 10.646 -7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 8 60.690 10.850 -6.416 1.00 0.00 H new ATOM 0 HD2 LYS A 8 62.195 13.324 -7.061 1.00 0.00 H new ATOM 0 HD3 LYS A 8 61.200 12.770 -8.392 1.00 0.00 H new ATOM 0 HE2 LYS A 8 59.744 12.549 -5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 8 60.284 14.192 -6.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 58.177 13.753 -7.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 59.409 14.061 -8.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 58.886 12.469 -8.120 1.00 0.00 H new ATOM 126 N ASN A 9 65.410 10.474 -7.219 1.00 0.00 N ATOM 127 CA ASN A 9 66.351 10.424 -8.379 1.00 0.00 C ATOM 128 C ASN A 9 66.996 9.041 -8.493 1.00 0.00 C ATOM 129 O ASN A 9 67.499 8.667 -9.534 1.00 0.00 O ATOM 130 CB ASN A 9 67.409 11.484 -8.079 1.00 0.00 C ATOM 131 CG ASN A 9 66.719 12.777 -7.650 1.00 0.00 C ATOM 132 OD1 ASN A 9 66.709 13.105 -6.390 1.00 0.00 O flip ATOM 133 ND2 ASN A 9 66.179 13.494 -8.469 1.00 0.00 N flip ATOM 0 H ASN A 9 65.668 11.124 -6.477 1.00 0.00 H new ATOM 0 HA ASN A 9 65.841 10.610 -9.324 1.00 0.00 H new ATOM 0 HB2 ASN A 9 68.076 11.135 -7.291 1.00 0.00 H new ATOM 0 HB3 ASN A 9 68.023 11.661 -8.962 1.00 0.00 H new ATOM 0 HD21 ASN A 9 66.187 13.237 -9.456 1.00 0.00 H new ATOM 0 HD22 ASN A 9 65.718 14.353 -8.169 1.00 0.00 H new ATOM 140 N LYS A 10 66.989 8.275 -7.436 1.00 0.00 N ATOM 141 CA LYS A 10 67.604 6.923 -7.500 1.00 0.00 C ATOM 142 C LYS A 10 66.593 5.917 -8.050 1.00 0.00 C ATOM 143 O LYS A 10 66.944 4.833 -8.472 1.00 0.00 O ATOM 144 CB LYS A 10 67.963 6.590 -6.054 1.00 0.00 C ATOM 145 CG LYS A 10 68.973 7.613 -5.534 1.00 0.00 C ATOM 146 CD LYS A 10 70.353 7.310 -6.116 1.00 0.00 C ATOM 147 CE LYS A 10 71.418 7.510 -5.037 1.00 0.00 C ATOM 148 NZ LYS A 10 72.630 7.959 -5.775 1.00 0.00 N ATOM 0 H LYS A 10 66.585 8.528 -6.534 1.00 0.00 H new ATOM 0 HA LYS A 10 68.475 6.889 -8.154 1.00 0.00 H new ATOM 0 HB2 LYS A 10 67.067 6.599 -5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 10 68.382 5.586 -5.994 1.00 0.00 H new ATOM 0 HG2 LYS A 10 68.663 8.620 -5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 10 69.011 7.581 -4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 10 70.385 6.286 -6.488 1.00 0.00 H new ATOM 0 HD3 LYS A 10 70.553 7.964 -6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 10 71.104 8.253 -4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 10 71.607 6.585 -4.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 73.407 8.118 -5.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 72.909 7.229 -6.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 72.422 8.845 -6.279 1.00 0.00 H new ATOM 162 N GLY A 11 65.337 6.273 -8.053 1.00 0.00 N ATOM 163 CA GLY A 11 64.300 5.345 -8.577 1.00 0.00 C ATOM 164 C GLY A 11 63.690 4.548 -7.423 1.00 0.00 C ATOM 165 O GLY A 11 63.031 3.549 -7.631 1.00 0.00 O ATOM 0 H GLY A 11 64.986 7.169 -7.714 1.00 0.00 H new ATOM 0 HA2 GLY A 11 63.523 5.908 -9.094 1.00 0.00 H new ATOM 0 HA3 GLY A 11 64.741 4.666 -9.307 1.00 0.00 H new ATOM 169 N CYS A 12 63.902 4.977 -6.206 1.00 0.00 N ATOM 170 CA CYS A 12 63.325 4.231 -5.049 1.00 0.00 C ATOM 171 C CYS A 12 61.805 4.412 -4.994 1.00 0.00 C ATOM 172 O CYS A 12 61.063 3.460 -4.859 1.00 0.00 O ATOM 173 CB CYS A 12 63.967 4.838 -3.799 1.00 0.00 C ATOM 174 SG CYS A 12 65.748 5.062 -4.042 1.00 0.00 S ATOM 0 H CYS A 12 64.446 5.806 -5.964 1.00 0.00 H new ATOM 0 HA CYS A 12 63.521 3.162 -5.131 1.00 0.00 H new ATOM 0 HB2 CYS A 12 63.502 5.798 -3.574 1.00 0.00 H new ATOM 0 HB3 CYS A 12 63.790 4.189 -2.941 1.00 0.00 H new ATOM 0 HG CYS A 12 66.398 4.375 -3.150 1.00 0.00 H new ATOM 179 N MET A 13 61.337 5.627 -5.092 1.00 0.00 N ATOM 180 CA MET A 13 59.865 5.868 -5.034 1.00 0.00 C ATOM 181 C MET A 13 59.180 5.395 -6.322 1.00 0.00 C ATOM 182 O MET A 13 57.988 5.561 -6.495 1.00 0.00 O ATOM 183 CB MET A 13 59.722 7.382 -4.881 1.00 0.00 C ATOM 184 CG MET A 13 59.961 7.770 -3.422 1.00 0.00 C ATOM 185 SD MET A 13 58.707 6.989 -2.376 1.00 0.00 S ATOM 186 CE MET A 13 57.297 7.968 -2.948 1.00 0.00 C ATOM 0 H MET A 13 61.909 6.463 -5.210 1.00 0.00 H new ATOM 0 HA MET A 13 59.396 5.321 -4.216 1.00 0.00 H new ATOM 0 HB2 MET A 13 60.437 7.893 -5.526 1.00 0.00 H new ATOM 0 HB3 MET A 13 58.727 7.698 -5.194 1.00 0.00 H new ATOM 0 HG2 MET A 13 60.957 7.456 -3.110 1.00 0.00 H new ATOM 0 HG3 MET A 13 59.919 8.854 -3.311 1.00 0.00 H new ATOM 0 HE1 MET A 13 56.706 8.290 -2.091 1.00 0.00 H new ATOM 0 HE2 MET A 13 57.657 8.843 -3.490 1.00 0.00 H new ATOM 0 HE3 MET A 13 56.677 7.362 -3.609 1.00 0.00 H new ATOM 196 N ALA A 14 59.915 4.811 -7.228 1.00 0.00 N ATOM 197 CA ALA A 14 59.295 4.338 -8.498 1.00 0.00 C ATOM 198 C ALA A 14 58.698 2.940 -8.313 1.00 0.00 C ATOM 199 O ALA A 14 57.711 2.588 -8.928 1.00 0.00 O ATOM 200 CB ALA A 14 60.442 4.303 -9.509 1.00 0.00 C ATOM 0 H ALA A 14 60.917 4.641 -7.144 1.00 0.00 H new ATOM 0 HA ALA A 14 58.482 4.986 -8.825 1.00 0.00 H new ATOM 0 HB1 ALA A 14 60.066 3.963 -10.474 1.00 0.00 H new ATOM 0 HB2 ALA A 14 60.864 5.302 -9.615 1.00 0.00 H new ATOM 0 HB3 ALA A 14 61.215 3.618 -9.159 1.00 0.00 H new ATOM 206 N CYS A 15 59.294 2.140 -7.473 1.00 0.00 N ATOM 207 CA CYS A 15 58.769 0.763 -7.249 1.00 0.00 C ATOM 208 C CYS A 15 58.194 0.628 -5.836 1.00 0.00 C ATOM 209 O CYS A 15 57.459 -0.293 -5.543 1.00 0.00 O ATOM 210 CB CYS A 15 59.988 -0.148 -7.374 1.00 0.00 C ATOM 211 SG CYS A 15 60.448 -0.369 -9.112 1.00 0.00 S ATOM 0 H CYS A 15 60.124 2.381 -6.931 1.00 0.00 H new ATOM 0 HA CYS A 15 57.976 0.518 -7.956 1.00 0.00 H new ATOM 0 HB2 CYS A 15 60.826 0.280 -6.823 1.00 0.00 H new ATOM 0 HB3 CYS A 15 59.772 -1.117 -6.924 1.00 0.00 H new ATOM 0 HG CYS A 15 61.488 -1.145 -9.190 1.00 0.00 H new ATOM 216 N HIS A 16 58.551 1.515 -4.948 1.00 0.00 N ATOM 217 CA HIS A 16 58.052 1.398 -3.546 1.00 0.00 C ATOM 218 C HIS A 16 56.859 2.320 -3.282 1.00 0.00 C ATOM 219 O HIS A 16 56.571 3.230 -4.035 1.00 0.00 O ATOM 220 CB HIS A 16 59.239 1.814 -2.678 1.00 0.00 C ATOM 221 CG HIS A 16 60.085 0.608 -2.374 1.00 0.00 C ATOM 222 ND1 HIS A 16 59.569 -0.521 -1.757 1.00 0.00 N ATOM 223 CD2 HIS A 16 61.412 0.339 -2.599 1.00 0.00 C ATOM 224 CE1 HIS A 16 60.572 -1.409 -1.633 1.00 0.00 C ATOM 225 NE2 HIS A 16 61.717 -0.935 -2.129 1.00 0.00 N ATOM 0 H HIS A 16 59.162 2.311 -5.129 1.00 0.00 H new ATOM 0 HA HIS A 16 57.701 0.388 -3.335 1.00 0.00 H new ATOM 0 HB2 HIS A 16 59.834 2.568 -3.194 1.00 0.00 H new ATOM 0 HB3 HIS A 16 58.885 2.266 -1.751 1.00 0.00 H new ATOM 0 HD1 HIS A 16 58.605 -0.654 -1.453 1.00 0.00 H new ATOM 0 HD2 HIS A 16 62.113 1.013 -3.069 1.00 0.00 H new ATOM 0 HE1 HIS A 16 60.464 -2.386 -1.186 1.00 0.00 H new ATOM 233 N ALA A 17 56.178 2.082 -2.194 1.00 0.00 N ATOM 234 CA ALA A 17 55.005 2.922 -1.821 1.00 0.00 C ATOM 235 C ALA A 17 55.007 3.124 -0.301 1.00 0.00 C ATOM 236 O ALA A 17 54.915 2.180 0.454 1.00 0.00 O ATOM 237 CB ALA A 17 53.784 2.117 -2.265 1.00 0.00 C ATOM 0 H ALA A 17 56.389 1.330 -1.538 1.00 0.00 H new ATOM 0 HA ALA A 17 55.016 3.908 -2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 17 52.876 2.670 -2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 17 53.831 1.948 -3.341 1.00 0.00 H new ATOM 0 HB3 ALA A 17 53.772 1.158 -1.747 1.00 0.00 H new ATOM 243 N ILE A 18 55.134 4.347 0.145 1.00 0.00 N ATOM 244 CA ILE A 18 55.173 4.624 1.616 1.00 0.00 C ATOM 245 C ILE A 18 54.237 3.685 2.376 1.00 0.00 C ATOM 246 O ILE A 18 54.477 3.351 3.518 1.00 0.00 O ATOM 247 CB ILE A 18 54.709 6.073 1.760 1.00 0.00 C ATOM 248 CG1 ILE A 18 55.776 7.011 1.191 1.00 0.00 C ATOM 249 CG2 ILE A 18 54.486 6.393 3.240 1.00 0.00 C ATOM 250 CD1 ILE A 18 57.013 6.983 2.092 1.00 0.00 C ATOM 0 H ILE A 18 55.213 5.172 -0.449 1.00 0.00 H new ATOM 0 HA ILE A 18 56.169 4.467 2.029 1.00 0.00 H new ATOM 0 HB ILE A 18 53.776 6.211 1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 18 56.043 6.705 0.179 1.00 0.00 H new ATOM 0 HG13 ILE A 18 55.385 8.026 1.124 1.00 0.00 H new ATOM 0 HG21 ILE A 18 54.155 7.426 3.343 1.00 0.00 H new ATOM 0 HG22 ILE A 18 53.725 5.726 3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 18 55.419 6.255 3.787 1.00 0.00 H new ATOM 0 HD11 ILE A 18 57.773 7.651 1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 18 56.740 7.310 3.095 1.00 0.00 H new ATOM 0 HD13 ILE A 18 57.408 5.968 2.136 1.00 0.00 H new ATOM 262 N ASP A 19 53.177 3.255 1.758 1.00 0.00 N ATOM 263 CA ASP A 19 52.240 2.335 2.468 1.00 0.00 C ATOM 264 C ASP A 19 51.348 1.587 1.470 1.00 0.00 C ATOM 265 O ASP A 19 50.324 1.042 1.828 1.00 0.00 O ATOM 266 CB ASP A 19 51.398 3.245 3.363 1.00 0.00 C ATOM 267 CG ASP A 19 50.251 2.440 3.979 1.00 0.00 C ATOM 268 OD1 ASP A 19 50.527 1.401 4.554 1.00 0.00 O ATOM 269 OD2 ASP A 19 49.117 2.877 3.867 1.00 0.00 O ATOM 0 H ASP A 19 52.917 3.495 0.801 1.00 0.00 H new ATOM 0 HA ASP A 19 52.772 1.573 3.038 1.00 0.00 H new ATOM 0 HB2 ASP A 19 52.019 3.673 4.150 1.00 0.00 H new ATOM 0 HB3 ASP A 19 51.001 4.077 2.782 1.00 0.00 H new ATOM 274 N THR A 20 51.730 1.548 0.224 1.00 0.00 N ATOM 275 CA THR A 20 50.902 0.827 -0.782 1.00 0.00 C ATOM 276 C THR A 20 51.643 -0.416 -1.278 1.00 0.00 C ATOM 277 O THR A 20 52.725 -0.726 -0.823 1.00 0.00 O ATOM 278 CB THR A 20 50.688 1.821 -1.918 1.00 0.00 C ATOM 279 OG1 THR A 20 51.093 3.118 -1.503 1.00 0.00 O ATOM 280 CG2 THR A 20 49.207 1.846 -2.302 1.00 0.00 C ATOM 0 H THR A 20 52.578 1.983 -0.140 1.00 0.00 H new ATOM 0 HA THR A 20 49.954 0.486 -0.367 1.00 0.00 H new ATOM 0 HB THR A 20 51.282 1.517 -2.780 1.00 0.00 H new ATOM 0 HG1 THR A 20 50.956 3.754 -2.236 1.00 0.00 H new ATOM 0 HG21 THR A 20 49.054 2.557 -3.114 1.00 0.00 H new ATOM 0 HG22 THR A 20 48.898 0.852 -2.626 1.00 0.00 H new ATOM 0 HG23 THR A 20 48.613 2.147 -1.439 1.00 0.00 H new ATOM 288 N LYS A 21 51.067 -1.136 -2.202 1.00 0.00 N ATOM 289 CA LYS A 21 51.739 -2.361 -2.714 1.00 0.00 C ATOM 290 C LYS A 21 51.997 -2.247 -4.221 1.00 0.00 C ATOM 291 O LYS A 21 51.212 -2.698 -5.031 1.00 0.00 O ATOM 292 CB LYS A 21 50.759 -3.497 -2.419 1.00 0.00 C ATOM 293 CG LYS A 21 51.530 -4.809 -2.260 1.00 0.00 C ATOM 294 CD LYS A 21 50.877 -5.656 -1.167 1.00 0.00 C ATOM 295 CE LYS A 21 51.453 -7.072 -1.210 1.00 0.00 C ATOM 296 NZ LYS A 21 51.806 -7.385 0.203 1.00 0.00 N ATOM 0 H LYS A 21 50.161 -0.928 -2.623 1.00 0.00 H new ATOM 0 HA LYS A 21 52.710 -2.523 -2.246 1.00 0.00 H new ATOM 0 HB2 LYS A 21 50.198 -3.280 -1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 21 50.034 -3.585 -3.228 1.00 0.00 H new ATOM 0 HG2 LYS A 21 51.537 -5.356 -3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 21 52.569 -4.603 -2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 21 51.055 -5.208 -0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 21 49.797 -5.686 -1.311 1.00 0.00 H new ATOM 0 HE2 LYS A 21 50.726 -7.783 -1.602 1.00 0.00 H new ATOM 0 HE3 LYS A 21 52.329 -7.123 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 52.209 -8.342 0.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 52.505 -6.696 0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 50.951 -7.335 0.793 1.00 0.00 H new ATOM 310 N MET A 22 53.097 -1.655 -4.599 1.00 0.00 N ATOM 311 CA MET A 22 53.412 -1.520 -6.052 1.00 0.00 C ATOM 312 C MET A 22 54.322 -2.674 -6.493 1.00 0.00 C ATOM 313 O MET A 22 53.916 -3.819 -6.504 1.00 0.00 O ATOM 314 CB MET A 22 54.126 -0.171 -6.179 1.00 0.00 C ATOM 315 CG MET A 22 53.112 0.963 -6.021 1.00 0.00 C ATOM 316 SD MET A 22 53.288 2.125 -7.396 1.00 0.00 S ATOM 317 CE MET A 22 54.670 3.073 -6.711 1.00 0.00 C ATOM 0 H MET A 22 53.792 -1.259 -3.966 1.00 0.00 H new ATOM 0 HA MET A 22 52.524 -1.560 -6.683 1.00 0.00 H new ATOM 0 HB2 MET A 22 54.903 -0.086 -5.419 1.00 0.00 H new ATOM 0 HB3 MET A 22 54.619 -0.099 -7.148 1.00 0.00 H new ATOM 0 HG2 MET A 22 52.100 0.560 -5.999 1.00 0.00 H new ATOM 0 HG3 MET A 22 53.271 1.478 -5.073 1.00 0.00 H new ATOM 0 HE1 MET A 22 54.951 3.862 -7.409 1.00 0.00 H new ATOM 0 HE2 MET A 22 54.371 3.518 -5.762 1.00 0.00 H new ATOM 0 HE3 MET A 22 55.521 2.411 -6.550 1.00 0.00 H new ATOM 327 N VAL A 23 55.550 -2.395 -6.850 1.00 0.00 N ATOM 328 CA VAL A 23 56.464 -3.491 -7.273 1.00 0.00 C ATOM 329 C VAL A 23 57.183 -4.060 -6.049 1.00 0.00 C ATOM 330 O VAL A 23 57.534 -5.223 -6.002 1.00 0.00 O ATOM 331 CB VAL A 23 57.458 -2.832 -8.229 1.00 0.00 C ATOM 332 CG1 VAL A 23 58.587 -3.813 -8.549 1.00 0.00 C ATOM 333 CG2 VAL A 23 56.738 -2.444 -9.523 1.00 0.00 C ATOM 0 H VAL A 23 55.955 -1.459 -6.866 1.00 0.00 H new ATOM 0 HA VAL A 23 55.938 -4.318 -7.750 1.00 0.00 H new ATOM 0 HB VAL A 23 57.875 -1.940 -7.762 1.00 0.00 H new ATOM 0 HG11 VAL A 23 59.295 -3.343 -9.231 1.00 0.00 H new ATOM 0 HG12 VAL A 23 59.100 -4.091 -7.628 1.00 0.00 H new ATOM 0 HG13 VAL A 23 58.172 -4.706 -9.017 1.00 0.00 H new ATOM 0 HG21 VAL A 23 57.445 -1.974 -10.206 1.00 0.00 H new ATOM 0 HG22 VAL A 23 56.322 -3.337 -9.990 1.00 0.00 H new ATOM 0 HG23 VAL A 23 55.933 -1.745 -9.296 1.00 0.00 H new ATOM 343 N GLY A 24 57.392 -3.245 -5.053 1.00 0.00 N ATOM 344 CA GLY A 24 58.073 -3.722 -3.817 1.00 0.00 C ATOM 345 C GLY A 24 57.146 -3.484 -2.621 1.00 0.00 C ATOM 346 O GLY A 24 56.132 -2.828 -2.753 1.00 0.00 O ATOM 0 H GLY A 24 57.118 -2.262 -5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 24 58.314 -4.782 -3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 24 59.015 -3.192 -3.676 1.00 0.00 H new ATOM 350 N PRO A 25 57.514 -4.025 -1.488 1.00 0.00 N ATOM 351 CA PRO A 25 56.690 -3.863 -0.268 1.00 0.00 C ATOM 352 C PRO A 25 56.667 -2.396 0.167 1.00 0.00 C ATOM 353 O PRO A 25 57.686 -1.735 0.196 1.00 0.00 O ATOM 354 CB PRO A 25 57.432 -4.725 0.756 1.00 0.00 C ATOM 355 CG PRO A 25 58.665 -5.350 0.074 1.00 0.00 C ATOM 356 CD PRO A 25 58.758 -4.816 -1.361 1.00 0.00 C ATOM 0 HA PRO A 25 55.648 -4.154 -0.400 1.00 0.00 H new ATOM 0 HB2 PRO A 25 57.738 -4.119 1.609 1.00 0.00 H new ATOM 0 HB3 PRO A 25 56.775 -5.506 1.139 1.00 0.00 H new ATOM 0 HG2 PRO A 25 59.570 -5.102 0.629 1.00 0.00 H new ATOM 0 HG3 PRO A 25 58.583 -6.437 0.068 1.00 0.00 H new ATOM 0 HD2 PRO A 25 59.646 -4.202 -1.509 1.00 0.00 H new ATOM 0 HD3 PRO A 25 58.803 -5.623 -2.092 1.00 0.00 H new ATOM 364 N ALA A 26 55.516 -1.882 0.505 1.00 0.00 N ATOM 365 CA ALA A 26 55.442 -0.458 0.938 1.00 0.00 C ATOM 366 C ALA A 26 56.601 -0.151 1.888 1.00 0.00 C ATOM 367 O ALA A 26 57.036 -1.000 2.637 1.00 0.00 O ATOM 368 CB ALA A 26 54.101 -0.327 1.662 1.00 0.00 C ATOM 0 H ALA A 26 54.628 -2.384 0.500 1.00 0.00 H new ATOM 0 HA ALA A 26 55.514 0.238 0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 26 53.975 0.698 2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.292 -0.579 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.080 -1.006 2.514 1.00 0.00 H new ATOM 374 N TYR A 27 57.114 1.048 1.862 1.00 0.00 N ATOM 375 CA TYR A 27 58.249 1.384 2.763 1.00 0.00 C ATOM 376 C TYR A 27 57.856 1.140 4.222 1.00 0.00 C ATOM 377 O TYR A 27 58.534 0.434 4.944 1.00 0.00 O ATOM 378 CB TYR A 27 58.528 2.864 2.504 1.00 0.00 C ATOM 379 CG TYR A 27 59.412 2.996 1.287 1.00 0.00 C ATOM 380 CD1 TYR A 27 60.512 2.144 1.121 1.00 0.00 C ATOM 381 CD2 TYR A 27 59.130 3.970 0.321 1.00 0.00 C ATOM 382 CE1 TYR A 27 61.328 2.267 -0.009 1.00 0.00 C ATOM 383 CE2 TYR A 27 59.948 4.092 -0.809 1.00 0.00 C ATOM 384 CZ TYR A 27 61.047 3.241 -0.973 1.00 0.00 C ATOM 385 OH TYR A 27 61.850 3.362 -2.087 1.00 0.00 O ATOM 0 H TYR A 27 56.797 1.806 1.258 1.00 0.00 H new ATOM 0 HA TYR A 27 59.130 0.770 2.576 1.00 0.00 H new ATOM 0 HB2 TYR A 27 57.592 3.401 2.349 1.00 0.00 H new ATOM 0 HB3 TYR A 27 59.013 3.312 3.371 1.00 0.00 H new ATOM 0 HD1 TYR A 27 60.730 1.392 1.865 1.00 0.00 H new ATOM 0 HD2 TYR A 27 58.282 4.627 0.448 1.00 0.00 H new ATOM 0 HE1 TYR A 27 62.175 1.610 -0.137 1.00 0.00 H new ATOM 0 HE2 TYR A 27 59.731 4.843 -1.554 1.00 0.00 H new ATOM 0 HH TYR A 27 62.021 4.310 -2.265 1.00 0.00 H new ATOM 395 N LYS A 28 56.764 1.700 4.664 1.00 0.00 N ATOM 396 CA LYS A 28 56.342 1.473 6.074 1.00 0.00 C ATOM 397 C LYS A 28 56.332 -0.026 6.366 1.00 0.00 C ATOM 398 O LYS A 28 56.902 -0.489 7.333 1.00 0.00 O ATOM 399 CB LYS A 28 54.930 2.051 6.169 1.00 0.00 C ATOM 400 CG LYS A 28 54.647 2.464 7.612 1.00 0.00 C ATOM 401 CD LYS A 28 54.062 1.277 8.379 1.00 0.00 C ATOM 402 CE LYS A 28 52.542 1.250 8.201 1.00 0.00 C ATOM 403 NZ LYS A 28 51.992 1.201 9.584 1.00 0.00 N ATOM 0 H LYS A 28 56.150 2.301 4.114 1.00 0.00 H new ATOM 0 HA LYS A 28 57.013 1.941 6.794 1.00 0.00 H new ATOM 0 HB2 LYS A 28 54.832 2.911 5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 28 54.200 1.311 5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 28 55.566 2.803 8.091 1.00 0.00 H new ATOM 0 HG3 LYS A 28 53.950 3.302 7.631 1.00 0.00 H new ATOM 0 HD2 LYS A 28 54.497 0.346 8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 28 54.313 1.355 9.437 1.00 0.00 H new ATOM 0 HE2 LYS A 28 52.191 2.134 7.668 1.00 0.00 H new ATOM 0 HE3 LYS A 28 52.228 0.382 7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 50.953 1.180 9.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 52.337 0.346 10.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 52.301 2.043 10.111 1.00 0.00 H new ATOM 417 N ASP A 29 55.691 -0.786 5.525 1.00 0.00 N ATOM 418 CA ASP A 29 55.643 -2.261 5.737 1.00 0.00 C ATOM 419 C ASP A 29 57.065 -2.830 5.824 1.00 0.00 C ATOM 420 O ASP A 29 57.327 -3.768 6.552 1.00 0.00 O ATOM 421 CB ASP A 29 54.921 -2.813 4.507 1.00 0.00 C ATOM 422 CG ASP A 29 53.409 -2.750 4.729 1.00 0.00 C ATOM 423 OD1 ASP A 29 53.006 -2.415 5.830 1.00 0.00 O ATOM 424 OD2 ASP A 29 52.681 -3.038 3.793 1.00 0.00 O ATOM 0 H ASP A 29 55.197 -0.451 4.698 1.00 0.00 H new ATOM 0 HA ASP A 29 55.136 -2.529 6.664 1.00 0.00 H new ATOM 0 HB2 ASP A 29 55.193 -2.236 3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 29 55.229 -3.842 4.323 1.00 0.00 H new ATOM 429 N VAL A 30 57.983 -2.267 5.086 1.00 0.00 N ATOM 430 CA VAL A 30 59.385 -2.774 5.124 1.00 0.00 C ATOM 431 C VAL A 30 59.968 -2.602 6.526 1.00 0.00 C ATOM 432 O VAL A 30 60.709 -3.436 7.008 1.00 0.00 O ATOM 433 CB VAL A 30 60.146 -1.915 4.111 1.00 0.00 C ATOM 434 CG1 VAL A 30 61.601 -2.379 4.036 1.00 0.00 C ATOM 435 CG2 VAL A 30 59.495 -2.059 2.734 1.00 0.00 C ATOM 0 H VAL A 30 57.823 -1.479 4.459 1.00 0.00 H new ATOM 0 HA VAL A 30 59.449 -3.835 4.883 1.00 0.00 H new ATOM 0 HB VAL A 30 60.115 -0.871 4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 30 62.141 -1.766 3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 30 62.066 -2.279 5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 30 61.634 -3.423 3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 30 60.035 -1.448 2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 30 59.528 -3.103 2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 30 58.458 -1.728 2.786 1.00 0.00 H new ATOM 445 N ALA A 31 59.633 -1.532 7.188 1.00 0.00 N ATOM 446 CA ALA A 31 60.161 -1.312 8.562 1.00 0.00 C ATOM 447 C ALA A 31 59.386 -2.171 9.562 1.00 0.00 C ATOM 448 O ALA A 31 59.874 -2.500 10.624 1.00 0.00 O ATOM 449 CB ALA A 31 59.931 0.172 8.845 1.00 0.00 C ATOM 0 H ALA A 31 59.016 -0.799 6.837 1.00 0.00 H new ATOM 0 HA ALA A 31 61.213 -1.584 8.649 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.296 0.413 9.844 1.00 0.00 H new ATOM 0 HB2 ALA A 31 60.468 0.770 8.109 1.00 0.00 H new ATOM 0 HB3 ALA A 31 58.865 0.393 8.785 1.00 0.00 H new ATOM 455 N ALA A 32 58.176 -2.532 9.231 1.00 0.00 N ATOM 456 CA ALA A 32 57.361 -3.366 10.162 1.00 0.00 C ATOM 457 C ALA A 32 57.910 -4.795 10.221 1.00 0.00 C ATOM 458 O ALA A 32 57.857 -5.449 11.243 1.00 0.00 O ATOM 459 CB ALA A 32 55.949 -3.354 9.576 1.00 0.00 C ATOM 0 H ALA A 32 57.715 -2.285 8.355 1.00 0.00 H new ATOM 0 HA ALA A 32 57.381 -2.981 11.181 1.00 0.00 H new ATOM 0 HB1 ALA A 32 55.288 -3.948 10.207 1.00 0.00 H new ATOM 0 HB2 ALA A 32 55.582 -2.328 9.531 1.00 0.00 H new ATOM 0 HB3 ALA A 32 55.968 -3.777 8.572 1.00 0.00 H new ATOM 465 N LYS A 33 58.440 -5.280 9.134 1.00 0.00 N ATOM 466 CA LYS A 33 58.998 -6.663 9.129 1.00 0.00 C ATOM 467 C LYS A 33 60.430 -6.637 9.666 1.00 0.00 C ATOM 468 O LYS A 33 60.867 -7.542 10.348 1.00 0.00 O ATOM 469 CB LYS A 33 58.971 -7.104 7.664 1.00 0.00 C ATOM 470 CG LYS A 33 59.759 -8.408 7.499 1.00 0.00 C ATOM 471 CD LYS A 33 58.868 -9.597 7.864 1.00 0.00 C ATOM 472 CE LYS A 33 59.481 -10.885 7.309 1.00 0.00 C ATOM 473 NZ LYS A 33 59.698 -11.753 8.499 1.00 0.00 N ATOM 0 H LYS A 33 58.512 -4.780 8.248 1.00 0.00 H new ATOM 0 HA LYS A 33 58.430 -7.348 9.758 1.00 0.00 H new ATOM 0 HB2 LYS A 33 57.941 -7.247 7.337 1.00 0.00 H new ATOM 0 HB3 LYS A 33 59.401 -6.326 7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 33 60.109 -8.505 6.471 1.00 0.00 H new ATOM 0 HG3 LYS A 33 60.643 -8.394 8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 33 58.764 -9.668 8.947 1.00 0.00 H new ATOM 0 HD3 LYS A 33 57.867 -9.453 7.457 1.00 0.00 H new ATOM 0 HE2 LYS A 33 58.815 -11.361 6.590 1.00 0.00 H new ATOM 0 HE3 LYS A 33 60.419 -10.684 6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 60.117 -12.656 8.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 60.342 -11.277 9.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 58.787 -11.933 8.968 1.00 0.00 H new ATOM 487 N TYR A 34 61.158 -5.595 9.370 1.00 0.00 N ATOM 488 CA TYR A 34 62.558 -5.494 9.869 1.00 0.00 C ATOM 489 C TYR A 34 62.575 -4.776 11.222 1.00 0.00 C ATOM 490 O TYR A 34 63.605 -4.640 11.851 1.00 0.00 O ATOM 491 CB TYR A 34 63.298 -4.671 8.812 1.00 0.00 C ATOM 492 CG TYR A 34 63.788 -5.583 7.713 1.00 0.00 C ATOM 493 CD1 TYR A 34 62.868 -6.278 6.919 1.00 0.00 C ATOM 494 CD2 TYR A 34 65.162 -5.730 7.487 1.00 0.00 C ATOM 495 CE1 TYR A 34 63.323 -7.120 5.897 1.00 0.00 C ATOM 496 CE2 TYR A 34 65.616 -6.571 6.465 1.00 0.00 C ATOM 497 CZ TYR A 34 64.698 -7.267 5.670 1.00 0.00 C ATOM 498 OH TYR A 34 65.145 -8.096 4.663 1.00 0.00 O ATOM 0 H TYR A 34 60.843 -4.808 8.803 1.00 0.00 H new ATOM 0 HA TYR A 34 63.021 -6.470 10.017 1.00 0.00 H new ATOM 0 HB2 TYR A 34 62.635 -3.910 8.399 1.00 0.00 H new ATOM 0 HB3 TYR A 34 64.139 -4.148 9.267 1.00 0.00 H new ATOM 0 HD1 TYR A 34 61.808 -6.165 7.095 1.00 0.00 H new ATOM 0 HD2 TYR A 34 65.871 -5.195 8.101 1.00 0.00 H new ATOM 0 HE1 TYR A 34 62.614 -7.656 5.284 1.00 0.00 H new ATOM 0 HE2 TYR A 34 66.676 -6.683 6.289 1.00 0.00 H new ATOM 0 HH TYR A 34 66.125 -8.083 4.640 1.00 0.00 H new ATOM 508 N ALA A 35 61.439 -4.311 11.672 1.00 0.00 N ATOM 509 CA ALA A 35 61.389 -3.600 12.983 1.00 0.00 C ATOM 510 C ALA A 35 62.006 -4.465 14.086 1.00 0.00 C ATOM 511 O ALA A 35 61.651 -5.613 14.261 1.00 0.00 O ATOM 512 CB ALA A 35 59.901 -3.372 13.253 1.00 0.00 C ATOM 0 H ALA A 35 60.545 -4.393 11.189 1.00 0.00 H new ATOM 0 HA ALA A 35 61.951 -2.666 12.964 1.00 0.00 H new ATOM 0 HB1 ALA A 35 59.779 -2.852 14.203 1.00 0.00 H new ATOM 0 HB2 ALA A 35 59.474 -2.769 12.452 1.00 0.00 H new ATOM 0 HB3 ALA A 35 59.388 -4.333 13.297 1.00 0.00 H new ATOM 518 N GLY A 36 62.926 -3.920 14.837 1.00 0.00 N ATOM 519 CA GLY A 36 63.561 -4.710 15.930 1.00 0.00 C ATOM 520 C GLY A 36 64.778 -5.460 15.386 1.00 0.00 C ATOM 521 O GLY A 36 64.758 -6.665 15.232 1.00 0.00 O ATOM 0 H GLY A 36 63.264 -2.963 14.740 1.00 0.00 H new ATOM 0 HA2 GLY A 36 63.863 -4.048 16.742 1.00 0.00 H new ATOM 0 HA3 GLY A 36 62.842 -5.417 16.345 1.00 0.00 H new ATOM 525 N GLN A 37 65.839 -4.759 15.093 1.00 0.00 N ATOM 526 CA GLN A 37 67.055 -5.437 14.560 1.00 0.00 C ATOM 527 C GLN A 37 68.319 -4.732 15.064 1.00 0.00 C ATOM 528 O GLN A 37 68.351 -3.526 15.212 1.00 0.00 O ATOM 529 CB GLN A 37 66.940 -5.319 13.040 1.00 0.00 C ATOM 530 CG GLN A 37 66.418 -6.638 12.466 1.00 0.00 C ATOM 531 CD GLN A 37 67.468 -7.240 11.533 1.00 0.00 C ATOM 532 OE1 GLN A 37 67.849 -6.631 10.553 1.00 0.00 O ATOM 533 NE2 GLN A 37 67.953 -8.422 11.797 1.00 0.00 N ATOM 0 H GLN A 37 65.917 -3.748 15.199 1.00 0.00 H new ATOM 0 HA GLN A 37 67.124 -6.476 14.882 1.00 0.00 H new ATOM 0 HB2 GLN A 37 66.266 -4.503 12.777 1.00 0.00 H new ATOM 0 HB3 GLN A 37 67.912 -5.081 12.608 1.00 0.00 H new ATOM 0 HG2 GLN A 37 66.192 -7.334 13.274 1.00 0.00 H new ATOM 0 HG3 GLN A 37 65.488 -6.468 11.923 1.00 0.00 H new ATOM 0 HE21 GLN A 37 67.633 -8.933 12.620 1.00 0.00 H new ATOM 0 HE22 GLN A 37 68.653 -8.836 11.181 1.00 0.00 H new ATOM 542 N ALA A 38 69.357 -5.476 15.334 1.00 0.00 N ATOM 543 CA ALA A 38 70.614 -4.849 15.834 1.00 0.00 C ATOM 544 C ALA A 38 71.472 -4.353 14.665 1.00 0.00 C ATOM 545 O ALA A 38 72.664 -4.584 14.616 1.00 0.00 O ATOM 546 CB ALA A 38 71.338 -5.963 16.592 1.00 0.00 C ATOM 0 H ALA A 38 69.389 -6.490 15.230 1.00 0.00 H new ATOM 0 HA ALA A 38 70.415 -3.984 16.466 1.00 0.00 H new ATOM 0 HB1 ALA A 38 72.277 -5.580 16.992 1.00 0.00 H new ATOM 0 HB2 ALA A 38 70.710 -6.313 17.411 1.00 0.00 H new ATOM 0 HB3 ALA A 38 71.544 -6.791 15.913 1.00 0.00 H new ATOM 552 N GLY A 39 70.878 -3.669 13.725 1.00 0.00 N ATOM 553 CA GLY A 39 71.666 -3.159 12.569 1.00 0.00 C ATOM 554 C GLY A 39 70.935 -3.477 11.263 1.00 0.00 C ATOM 555 O GLY A 39 71.535 -3.881 10.288 1.00 0.00 O ATOM 0 H GLY A 39 69.884 -3.442 13.708 1.00 0.00 H new ATOM 0 HA2 GLY A 39 71.811 -2.083 12.662 1.00 0.00 H new ATOM 0 HA3 GLY A 39 72.656 -3.615 12.563 1.00 0.00 H new ATOM 559 N ALA A 40 69.644 -3.294 11.236 1.00 0.00 N ATOM 560 CA ALA A 40 68.881 -3.584 9.989 1.00 0.00 C ATOM 561 C ALA A 40 69.215 -2.544 8.918 1.00 0.00 C ATOM 562 O ALA A 40 69.031 -2.772 7.740 1.00 0.00 O ATOM 563 CB ALA A 40 67.408 -3.493 10.389 1.00 0.00 C ATOM 0 H ALA A 40 69.086 -2.957 12.020 1.00 0.00 H new ATOM 0 HA ALA A 40 69.125 -4.561 9.572 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.782 -3.695 9.520 1.00 0.00 H new ATOM 0 HB2 ALA A 40 67.196 -4.226 11.167 1.00 0.00 H new ATOM 0 HB3 ALA A 40 67.194 -2.493 10.765 1.00 0.00 H new ATOM 569 N GLU A 41 69.710 -1.404 9.318 1.00 0.00 N ATOM 570 CA GLU A 41 70.063 -0.357 8.319 1.00 0.00 C ATOM 571 C GLU A 41 71.343 -0.758 7.589 1.00 0.00 C ATOM 572 O GLU A 41 71.495 -0.528 6.406 1.00 0.00 O ATOM 573 CB GLU A 41 70.288 0.918 9.133 1.00 0.00 C ATOM 574 CG GLU A 41 68.967 1.368 9.756 1.00 0.00 C ATOM 575 CD GLU A 41 68.810 0.727 11.136 1.00 0.00 C ATOM 576 OE1 GLU A 41 69.818 0.534 11.795 1.00 0.00 O ATOM 577 OE2 GLU A 41 67.684 0.439 11.509 1.00 0.00 O ATOM 0 H GLU A 41 69.885 -1.153 10.291 1.00 0.00 H new ATOM 0 HA GLU A 41 69.286 -0.220 7.567 1.00 0.00 H new ATOM 0 HB2 GLU A 41 71.027 0.738 9.914 1.00 0.00 H new ATOM 0 HB3 GLU A 41 70.686 1.705 8.493 1.00 0.00 H new ATOM 0 HG2 GLU A 41 68.945 2.454 9.843 1.00 0.00 H new ATOM 0 HG3 GLU A 41 68.134 1.083 9.114 1.00 0.00 H new ATOM 584 N ALA A 42 72.265 -1.365 8.287 1.00 0.00 N ATOM 585 CA ALA A 42 73.532 -1.788 7.632 1.00 0.00 C ATOM 586 C ALA A 42 73.234 -2.845 6.569 1.00 0.00 C ATOM 587 O ALA A 42 73.707 -2.765 5.453 1.00 0.00 O ATOM 588 CB ALA A 42 74.387 -2.374 8.757 1.00 0.00 C ATOM 0 H ALA A 42 72.194 -1.585 9.280 1.00 0.00 H new ATOM 0 HA ALA A 42 74.040 -0.964 7.131 1.00 0.00 H new ATOM 0 HB1 ALA A 42 75.342 -2.710 8.352 1.00 0.00 H new ATOM 0 HB2 ALA A 42 74.563 -1.611 9.515 1.00 0.00 H new ATOM 0 HB3 ALA A 42 73.867 -3.219 9.207 1.00 0.00 H new ATOM 594 N TYR A 43 72.441 -3.828 6.899 1.00 0.00 N ATOM 595 CA TYR A 43 72.109 -4.874 5.893 1.00 0.00 C ATOM 596 C TYR A 43 71.137 -4.298 4.871 1.00 0.00 C ATOM 597 O TYR A 43 71.111 -4.703 3.726 1.00 0.00 O ATOM 598 CB TYR A 43 71.464 -6.009 6.691 1.00 0.00 C ATOM 599 CG TYR A 43 71.277 -7.213 5.799 1.00 0.00 C ATOM 600 CD1 TYR A 43 72.288 -8.176 5.699 1.00 0.00 C ATOM 601 CD2 TYR A 43 70.089 -7.367 5.074 1.00 0.00 C ATOM 602 CE1 TYR A 43 72.111 -9.294 4.874 1.00 0.00 C ATOM 603 CE2 TYR A 43 69.913 -8.483 4.248 1.00 0.00 C ATOM 604 CZ TYR A 43 70.924 -9.447 4.148 1.00 0.00 C ATOM 605 OH TYR A 43 70.749 -10.548 3.334 1.00 0.00 O ATOM 0 H TYR A 43 72.012 -3.951 7.816 1.00 0.00 H new ATOM 0 HA TYR A 43 72.982 -5.228 5.344 1.00 0.00 H new ATOM 0 HB2 TYR A 43 72.091 -6.269 7.544 1.00 0.00 H new ATOM 0 HB3 TYR A 43 70.502 -5.686 7.089 1.00 0.00 H new ATOM 0 HD1 TYR A 43 73.204 -8.057 6.258 1.00 0.00 H new ATOM 0 HD2 TYR A 43 69.309 -6.625 5.152 1.00 0.00 H new ATOM 0 HE1 TYR A 43 72.890 -10.038 4.798 1.00 0.00 H new ATOM 0 HE2 TYR A 43 68.997 -8.601 3.688 1.00 0.00 H new ATOM 0 HH TYR A 43 69.870 -10.500 2.903 1.00 0.00 H new ATOM 615 N LEU A 44 70.357 -3.332 5.266 1.00 0.00 N ATOM 616 CA LEU A 44 69.416 -2.703 4.302 1.00 0.00 C ATOM 617 C LEU A 44 70.232 -1.866 3.323 1.00 0.00 C ATOM 618 O LEU A 44 69.838 -1.631 2.200 1.00 0.00 O ATOM 619 CB LEU A 44 68.500 -1.820 5.152 1.00 0.00 C ATOM 620 CG LEU A 44 67.280 -2.628 5.592 1.00 0.00 C ATOM 621 CD1 LEU A 44 66.512 -1.853 6.665 1.00 0.00 C ATOM 622 CD2 LEU A 44 66.366 -2.867 4.389 1.00 0.00 C ATOM 0 H LEU A 44 70.331 -2.952 6.212 1.00 0.00 H new ATOM 0 HA LEU A 44 68.833 -3.423 3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 44 69.039 -1.451 6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 44 68.185 -0.947 4.580 1.00 0.00 H new ATOM 0 HG LEU A 44 67.608 -3.585 5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 44 65.642 -2.430 6.978 1.00 0.00 H new ATOM 0 HD12 LEU A 44 67.161 -1.680 7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 44 66.185 -0.896 6.259 1.00 0.00 H new ATOM 0 HD21 LEU A 44 65.496 -3.443 4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 44 66.040 -1.909 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 44 66.910 -3.419 3.623 1.00 0.00 H new ATOM 634 N ALA A 45 71.390 -1.437 3.744 1.00 0.00 N ATOM 635 CA ALA A 45 72.260 -0.638 2.846 1.00 0.00 C ATOM 636 C ALA A 45 72.990 -1.580 1.891 1.00 0.00 C ATOM 637 O ALA A 45 73.263 -1.244 0.756 1.00 0.00 O ATOM 638 CB ALA A 45 73.248 0.070 3.773 1.00 0.00 C ATOM 0 H ALA A 45 71.769 -1.608 4.675 1.00 0.00 H new ATOM 0 HA ALA A 45 71.704 0.077 2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 45 73.927 0.683 3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 45 72.702 0.705 4.471 1.00 0.00 H new ATOM 0 HB3 ALA A 45 73.820 -0.672 4.330 1.00 0.00 H new ATOM 644 N GLN A 46 73.296 -2.769 2.343 1.00 0.00 N ATOM 645 CA GLN A 46 73.992 -3.740 1.461 1.00 0.00 C ATOM 646 C GLN A 46 72.970 -4.395 0.529 1.00 0.00 C ATOM 647 O GLN A 46 73.298 -4.859 -0.544 1.00 0.00 O ATOM 648 CB GLN A 46 74.611 -4.758 2.428 1.00 0.00 C ATOM 649 CG GLN A 46 74.761 -6.117 1.743 1.00 0.00 C ATOM 650 CD GLN A 46 75.236 -7.152 2.763 1.00 0.00 C ATOM 651 OE1 GLN A 46 74.612 -8.180 2.940 1.00 0.00 O ATOM 652 NE2 GLN A 46 76.323 -6.923 3.449 1.00 0.00 N ATOM 0 H GLN A 46 73.092 -3.105 3.284 1.00 0.00 H new ATOM 0 HA GLN A 46 74.751 -3.287 0.824 1.00 0.00 H new ATOM 0 HB2 GLN A 46 75.585 -4.404 2.765 1.00 0.00 H new ATOM 0 HB3 GLN A 46 73.983 -4.857 3.314 1.00 0.00 H new ATOM 0 HG2 GLN A 46 73.809 -6.426 1.312 1.00 0.00 H new ATOM 0 HG3 GLN A 46 75.474 -6.046 0.922 1.00 0.00 H new ATOM 0 HE21 GLN A 46 76.847 -6.061 3.301 1.00 0.00 H new ATOM 0 HE22 GLN A 46 76.648 -7.606 4.133 1.00 0.00 H new ATOM 661 N ARG A 47 71.730 -4.420 0.930 1.00 0.00 N ATOM 662 CA ARG A 47 70.679 -5.024 0.068 1.00 0.00 C ATOM 663 C ARG A 47 70.099 -3.945 -0.842 1.00 0.00 C ATOM 664 O ARG A 47 69.458 -4.228 -1.836 1.00 0.00 O ATOM 665 CB ARG A 47 69.616 -5.543 1.036 1.00 0.00 C ATOM 666 CG ARG A 47 69.936 -6.989 1.421 1.00 0.00 C ATOM 667 CD ARG A 47 69.737 -7.896 0.206 1.00 0.00 C ATOM 668 NE ARG A 47 70.172 -9.248 0.656 1.00 0.00 N ATOM 669 CZ ARG A 47 71.444 -9.529 0.757 1.00 0.00 C ATOM 670 NH1 ARG A 47 72.341 -8.625 0.465 1.00 0.00 N ATOM 671 NH2 ARG A 47 71.821 -10.717 1.144 1.00 0.00 N ATOM 0 H ARG A 47 71.399 -4.047 1.820 1.00 0.00 H new ATOM 0 HA ARG A 47 71.060 -5.823 -0.568 1.00 0.00 H new ATOM 0 HB2 ARG A 47 69.585 -4.917 1.928 1.00 0.00 H new ATOM 0 HB3 ARG A 47 68.631 -5.489 0.573 1.00 0.00 H new ATOM 0 HG2 ARG A 47 70.963 -7.063 1.779 1.00 0.00 H new ATOM 0 HG3 ARG A 47 69.290 -7.311 2.238 1.00 0.00 H new ATOM 0 HD2 ARG A 47 68.695 -7.903 -0.114 1.00 0.00 H new ATOM 0 HD3 ARG A 47 70.329 -7.554 -0.643 1.00 0.00 H new ATOM 0 HE ARG A 47 69.475 -9.956 0.886 1.00 0.00 H new ATOM 0 HH11 ARG A 47 72.049 -7.697 0.157 1.00 0.00 H new ATOM 0 HH12 ARG A 47 73.333 -8.847 0.545 1.00 0.00 H new ATOM 0 HH21 ARG A 47 71.123 -11.426 1.368 1.00 0.00 H new ATOM 0 HH22 ARG A 47 72.814 -10.936 1.223 1.00 0.00 H new ATOM 685 N ILE A 48 70.325 -2.705 -0.506 1.00 0.00 N ATOM 686 CA ILE A 48 69.798 -1.596 -1.345 1.00 0.00 C ATOM 687 C ILE A 48 70.811 -1.243 -2.438 1.00 0.00 C ATOM 688 O ILE A 48 70.450 -0.810 -3.514 1.00 0.00 O ATOM 689 CB ILE A 48 69.596 -0.431 -0.375 1.00 0.00 C ATOM 690 CG1 ILE A 48 68.285 -0.636 0.390 1.00 0.00 C ATOM 691 CG2 ILE A 48 69.529 0.886 -1.153 1.00 0.00 C ATOM 692 CD1 ILE A 48 68.167 0.417 1.493 1.00 0.00 C ATOM 0 H ILE A 48 70.854 -2.413 0.316 1.00 0.00 H new ATOM 0 HA ILE A 48 68.870 -1.855 -1.854 1.00 0.00 H new ATOM 0 HB ILE A 48 70.431 -0.392 0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 48 67.438 -0.560 -0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 48 68.257 -1.636 0.823 1.00 0.00 H new ATOM 0 HG21 ILE A 48 69.385 1.713 -0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 48 70.459 1.032 -1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 48 68.695 0.852 -1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 48 67.234 0.271 2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 48 69.007 0.319 2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 48 68.176 1.412 1.048 1.00 0.00 H new ATOM 704 N LYS A 49 72.078 -1.431 -2.176 1.00 0.00 N ATOM 705 CA LYS A 49 73.100 -1.113 -3.211 1.00 0.00 C ATOM 706 C LYS A 49 73.316 -2.330 -4.115 1.00 0.00 C ATOM 707 O LYS A 49 73.857 -2.224 -5.198 1.00 0.00 O ATOM 708 CB LYS A 49 74.377 -0.786 -2.431 1.00 0.00 C ATOM 709 CG LYS A 49 75.523 -0.527 -3.411 1.00 0.00 C ATOM 710 CD LYS A 49 76.860 -0.810 -2.721 1.00 0.00 C ATOM 711 CE LYS A 49 77.628 -1.874 -3.511 1.00 0.00 C ATOM 712 NZ LYS A 49 78.655 -1.116 -4.280 1.00 0.00 N ATOM 0 H LYS A 49 72.446 -1.789 -1.295 1.00 0.00 H new ATOM 0 HA LYS A 49 72.799 -0.284 -3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 49 74.217 0.090 -1.802 1.00 0.00 H new ATOM 0 HB3 LYS A 49 74.632 -1.612 -1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 49 75.414 -1.162 -4.290 1.00 0.00 H new ATOM 0 HG3 LYS A 49 75.492 0.506 -3.758 1.00 0.00 H new ATOM 0 HD2 LYS A 49 77.449 0.105 -2.656 1.00 0.00 H new ATOM 0 HD3 LYS A 49 76.689 -1.152 -1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 49 78.091 -2.602 -2.845 1.00 0.00 H new ATOM 0 HE3 LYS A 49 76.965 -2.427 -4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 79.222 -1.778 -4.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 78.185 -0.435 -4.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 79.276 -0.605 -3.620 1.00 0.00 H new ATOM 726 N ASN A 50 72.891 -3.485 -3.678 1.00 0.00 N ATOM 727 CA ASN A 50 73.067 -4.708 -4.513 1.00 0.00 C ATOM 728 C ASN A 50 71.704 -5.333 -4.832 1.00 0.00 C ATOM 729 O ASN A 50 71.590 -6.189 -5.687 1.00 0.00 O ATOM 730 CB ASN A 50 73.898 -5.661 -3.651 1.00 0.00 C ATOM 731 CG ASN A 50 75.170 -6.054 -4.406 1.00 0.00 C ATOM 732 OD1 ASN A 50 76.224 -5.497 -4.172 1.00 0.00 O ATOM 733 ND2 ASN A 50 75.115 -6.995 -5.309 1.00 0.00 N ATOM 0 H ASN A 50 72.430 -3.634 -2.780 1.00 0.00 H new ATOM 0 HA ASN A 50 73.550 -4.489 -5.465 1.00 0.00 H new ATOM 0 HB2 ASN A 50 74.156 -5.182 -2.706 1.00 0.00 H new ATOM 0 HB3 ASN A 50 73.316 -6.551 -3.409 1.00 0.00 H new ATOM 0 HD21 ASN A 50 75.957 -7.263 -5.818 1.00 0.00 H new ATOM 0 HD22 ASN A 50 74.230 -7.462 -5.505 1.00 0.00 H new ATOM 740 N GLY A 51 70.670 -4.913 -4.149 1.00 0.00 N ATOM 741 CA GLY A 51 69.314 -5.488 -4.403 1.00 0.00 C ATOM 742 C GLY A 51 69.406 -7.016 -4.345 1.00 0.00 C ATOM 743 O GLY A 51 70.480 -7.568 -4.206 1.00 0.00 O ATOM 0 H GLY A 51 70.706 -4.195 -3.425 1.00 0.00 H new ATOM 0 HA2 GLY A 51 68.605 -5.124 -3.660 1.00 0.00 H new ATOM 0 HA3 GLY A 51 68.946 -5.169 -5.378 1.00 0.00 H new ATOM 747 N SER A 52 68.299 -7.715 -4.445 1.00 0.00 N ATOM 748 CA SER A 52 68.371 -9.218 -4.387 1.00 0.00 C ATOM 749 C SER A 52 66.981 -9.837 -4.203 1.00 0.00 C ATOM 750 O SER A 52 66.012 -9.147 -3.966 1.00 0.00 O ATOM 751 CB SER A 52 69.245 -9.537 -3.173 1.00 0.00 C ATOM 752 OG SER A 52 70.477 -10.091 -3.615 1.00 0.00 O ATOM 0 H SER A 52 67.365 -7.323 -4.562 1.00 0.00 H new ATOM 0 HA SER A 52 68.776 -9.626 -5.313 1.00 0.00 H new ATOM 0 HB2 SER A 52 69.427 -8.632 -2.593 1.00 0.00 H new ATOM 0 HB3 SER A 52 68.732 -10.239 -2.515 1.00 0.00 H new ATOM 0 HG SER A 52 71.020 -9.390 -4.033 1.00 0.00 H new ATOM 758 N GLN A 53 66.885 -11.143 -4.304 1.00 0.00 N ATOM 759 CA GLN A 53 65.560 -11.813 -4.134 1.00 0.00 C ATOM 760 C GLN A 53 65.517 -12.559 -2.792 1.00 0.00 C ATOM 761 O GLN A 53 66.405 -12.427 -1.972 1.00 0.00 O ATOM 762 CB GLN A 53 65.433 -12.767 -5.348 1.00 0.00 C ATOM 763 CG GLN A 53 65.628 -14.238 -4.951 1.00 0.00 C ATOM 764 CD GLN A 53 66.992 -14.413 -4.282 1.00 0.00 C ATOM 765 OE1 GLN A 53 67.073 -14.688 -3.102 1.00 0.00 O ATOM 766 NE2 GLN A 53 68.075 -14.263 -4.995 1.00 0.00 N ATOM 0 H GLN A 53 67.666 -11.770 -4.496 1.00 0.00 H new ATOM 0 HA GLN A 53 64.726 -11.112 -4.109 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.451 -12.643 -5.805 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.172 -12.494 -6.101 1.00 0.00 H new ATOM 0 HG2 GLN A 53 64.835 -14.550 -4.271 1.00 0.00 H new ATOM 0 HG3 GLN A 53 65.560 -14.875 -5.833 1.00 0.00 H new ATOM 0 HE21 GLN A 53 68.005 -14.032 -5.986 1.00 0.00 H new ATOM 0 HE22 GLN A 53 68.991 -14.377 -4.561 1.00 0.00 H new ATOM 775 N GLY A 54 64.492 -13.330 -2.558 1.00 0.00 N ATOM 776 CA GLY A 54 64.400 -14.067 -1.267 1.00 0.00 C ATOM 777 C GLY A 54 64.206 -13.058 -0.136 1.00 0.00 C ATOM 778 O GLY A 54 64.328 -13.379 1.029 1.00 0.00 O ATOM 0 H GLY A 54 63.716 -13.481 -3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.567 -14.770 -1.292 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.305 -14.651 -1.101 1.00 0.00 H new ATOM 782 N VAL A 55 63.904 -11.837 -0.479 1.00 0.00 N ATOM 783 CA VAL A 55 63.698 -10.793 0.561 1.00 0.00 C ATOM 784 C VAL A 55 62.212 -10.698 0.901 1.00 0.00 C ATOM 785 O VAL A 55 61.806 -10.892 2.030 1.00 0.00 O ATOM 786 CB VAL A 55 64.187 -9.502 -0.094 1.00 0.00 C ATOM 787 CG1 VAL A 55 64.188 -8.371 0.934 1.00 0.00 C ATOM 788 CG2 VAL A 55 65.606 -9.706 -0.626 1.00 0.00 C ATOM 0 H VAL A 55 63.791 -11.516 -1.441 1.00 0.00 H new ATOM 0 HA VAL A 55 64.226 -11.004 1.491 1.00 0.00 H new ATOM 0 HB VAL A 55 63.522 -9.242 -0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 55 64.537 -7.452 0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 55 63.177 -8.223 1.313 1.00 0.00 H new ATOM 0 HG13 VAL A 55 64.851 -8.630 1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 55 65.955 -8.785 -1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 55 66.269 -9.969 0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 55 65.606 -10.510 -1.363 1.00 0.00 H new ATOM 798 N TRP A 56 61.401 -10.405 -0.075 1.00 0.00 N ATOM 799 CA TRP A 56 59.942 -10.298 0.164 1.00 0.00 C ATOM 800 C TRP A 56 59.204 -11.305 -0.720 1.00 0.00 C ATOM 801 O TRP A 56 58.238 -11.920 -0.314 1.00 0.00 O ATOM 802 CB TRP A 56 59.600 -8.874 -0.250 1.00 0.00 C ATOM 803 CG TRP A 56 60.239 -7.911 0.699 1.00 0.00 C ATOM 804 CD1 TRP A 56 61.445 -7.328 0.514 1.00 0.00 C ATOM 805 CD2 TRP A 56 59.735 -7.408 1.972 1.00 0.00 C ATOM 806 NE1 TRP A 56 61.713 -6.499 1.587 1.00 0.00 N ATOM 807 CE2 TRP A 56 60.689 -6.515 2.512 1.00 0.00 C ATOM 808 CE3 TRP A 56 58.554 -7.637 2.704 1.00 0.00 C ATOM 809 CZ2 TRP A 56 60.481 -5.870 3.733 1.00 0.00 C ATOM 810 CZ3 TRP A 56 58.343 -6.990 3.934 1.00 0.00 C ATOM 811 CH2 TRP A 56 59.304 -6.109 4.444 1.00 0.00 C ATOM 0 H TRP A 56 61.693 -10.234 -1.037 1.00 0.00 H new ATOM 0 HA TRP A 56 59.659 -10.507 1.196 1.00 0.00 H new ATOM 0 HB2 TRP A 56 59.949 -8.686 -1.265 1.00 0.00 H new ATOM 0 HB3 TRP A 56 58.519 -8.735 -0.253 1.00 0.00 H new ATOM 0 HD1 TRP A 56 62.094 -7.485 -0.335 1.00 0.00 H new ATOM 0 HE1 TRP A 56 62.563 -5.944 1.683 1.00 0.00 H new ATOM 0 HE3 TRP A 56 57.806 -8.314 2.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 61.225 -5.192 4.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 57.435 -7.174 4.489 1.00 0.00 H new ATOM 0 HH2 TRP A 56 59.134 -5.614 5.389 1.00 0.00 H new ATOM 822 N GLY A 57 59.660 -11.473 -1.932 1.00 0.00 N ATOM 823 CA GLY A 57 59.000 -12.437 -2.857 1.00 0.00 C ATOM 824 C GLY A 57 59.927 -12.721 -4.046 1.00 0.00 C ATOM 825 O GLY A 57 61.104 -12.423 -3.997 1.00 0.00 O ATOM 0 H GLY A 57 60.464 -10.982 -2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 57 58.771 -13.364 -2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 57 58.053 -12.029 -3.210 1.00 0.00 H new ATOM 829 N PRO A 58 59.364 -13.294 -5.085 1.00 0.00 N ATOM 830 CA PRO A 58 60.146 -13.629 -6.306 1.00 0.00 C ATOM 831 C PRO A 58 60.571 -12.366 -7.074 1.00 0.00 C ATOM 832 O PRO A 58 61.089 -12.453 -8.170 1.00 0.00 O ATOM 833 CB PRO A 58 59.138 -14.430 -7.136 1.00 0.00 C ATOM 834 CG PRO A 58 57.809 -14.510 -6.361 1.00 0.00 C ATOM 835 CD PRO A 58 57.926 -13.653 -5.095 1.00 0.00 C ATOM 0 HA PRO A 58 61.070 -14.162 -6.081 1.00 0.00 H new ATOM 0 HB2 PRO A 58 58.982 -13.953 -8.104 1.00 0.00 H new ATOM 0 HB3 PRO A 58 59.521 -15.431 -7.332 1.00 0.00 H new ATOM 0 HG2 PRO A 58 56.987 -14.155 -6.983 1.00 0.00 H new ATOM 0 HG3 PRO A 58 57.587 -15.544 -6.098 1.00 0.00 H new ATOM 0 HD2 PRO A 58 57.287 -12.771 -5.141 1.00 0.00 H new ATOM 0 HD3 PRO A 58 57.640 -14.207 -4.201 1.00 0.00 H new ATOM 843 N ILE A 59 60.352 -11.199 -6.529 1.00 0.00 N ATOM 844 CA ILE A 59 60.746 -9.959 -7.257 1.00 0.00 C ATOM 845 C ILE A 59 61.966 -9.308 -6.591 1.00 0.00 C ATOM 846 O ILE A 59 61.831 -8.335 -5.877 1.00 0.00 O ATOM 847 CB ILE A 59 59.530 -9.040 -7.154 1.00 0.00 C ATOM 848 CG1 ILE A 59 58.287 -9.788 -7.640 1.00 0.00 C ATOM 849 CG2 ILE A 59 59.750 -7.800 -8.023 1.00 0.00 C ATOM 850 CD1 ILE A 59 57.111 -8.814 -7.732 1.00 0.00 C ATOM 0 H ILE A 59 59.920 -11.051 -5.617 1.00 0.00 H new ATOM 0 HA ILE A 59 61.023 -10.162 -8.291 1.00 0.00 H new ATOM 0 HB ILE A 59 59.391 -8.735 -6.117 1.00 0.00 H new ATOM 0 HG12 ILE A 59 58.478 -10.238 -8.614 1.00 0.00 H new ATOM 0 HG13 ILE A 59 58.047 -10.601 -6.955 1.00 0.00 H new ATOM 0 HG21 ILE A 59 58.882 -7.145 -7.949 1.00 0.00 H new ATOM 0 HG22 ILE A 59 60.637 -7.267 -7.679 1.00 0.00 H new ATOM 0 HG23 ILE A 59 59.888 -8.103 -9.061 1.00 0.00 H new ATOM 0 HD11 ILE A 59 56.225 -9.346 -8.078 1.00 0.00 H new ATOM 0 HD12 ILE A 59 56.916 -8.385 -6.749 1.00 0.00 H new ATOM 0 HD13 ILE A 59 57.353 -8.016 -8.434 1.00 0.00 H new ATOM 862 N PRO A 60 63.124 -9.863 -6.852 1.00 0.00 N ATOM 863 CA PRO A 60 64.376 -9.321 -6.276 1.00 0.00 C ATOM 864 C PRO A 60 64.556 -7.851 -6.644 1.00 0.00 C ATOM 865 O PRO A 60 64.286 -7.445 -7.756 1.00 0.00 O ATOM 866 CB PRO A 60 65.453 -10.168 -6.957 1.00 0.00 C ATOM 867 CG PRO A 60 64.769 -11.178 -7.896 1.00 0.00 C ATOM 868 CD PRO A 60 63.250 -11.052 -7.726 1.00 0.00 C ATOM 0 HA PRO A 60 64.400 -9.365 -5.187 1.00 0.00 H new ATOM 0 HB2 PRO A 60 66.134 -9.530 -7.520 1.00 0.00 H new ATOM 0 HB3 PRO A 60 66.050 -10.691 -6.210 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.051 -10.984 -8.931 1.00 0.00 H new ATOM 0 HG3 PRO A 60 65.093 -12.192 -7.662 1.00 0.00 H new ATOM 0 HD2 PRO A 60 62.745 -10.909 -8.681 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.818 -11.941 -7.267 1.00 0.00 H new ATOM 876 N MET A 61 65.022 -7.052 -5.727 1.00 0.00 N ATOM 877 CA MET A 61 65.229 -5.620 -6.049 1.00 0.00 C ATOM 878 C MET A 61 66.474 -5.459 -6.923 1.00 0.00 C ATOM 879 O MET A 61 67.517 -5.989 -6.595 1.00 0.00 O ATOM 880 CB MET A 61 65.455 -4.945 -4.706 1.00 0.00 C ATOM 881 CG MET A 61 65.760 -3.467 -4.937 1.00 0.00 C ATOM 882 SD MET A 61 67.395 -3.067 -4.282 1.00 0.00 S ATOM 883 CE MET A 61 66.822 -2.072 -2.885 1.00 0.00 C ATOM 0 H MET A 61 65.266 -7.328 -4.776 1.00 0.00 H new ATOM 0 HA MET A 61 64.386 -5.193 -6.592 1.00 0.00 H new ATOM 0 HB2 MET A 61 64.571 -5.053 -4.077 1.00 0.00 H new ATOM 0 HB3 MET A 61 66.282 -5.422 -4.179 1.00 0.00 H new ATOM 0 HG2 MET A 61 65.720 -3.241 -6.003 1.00 0.00 H new ATOM 0 HG3 MET A 61 65.003 -2.850 -4.452 1.00 0.00 H new ATOM 0 HE1 MET A 61 67.380 -1.136 -2.851 1.00 0.00 H new ATOM 0 HE2 MET A 61 65.760 -1.857 -3.003 1.00 0.00 H new ATOM 0 HE3 MET A 61 66.980 -2.622 -1.957 1.00 0.00 H new ATOM 893 N PRO A 62 66.339 -4.726 -8.004 1.00 0.00 N ATOM 894 CA PRO A 62 67.489 -4.493 -8.906 1.00 0.00 C ATOM 895 C PRO A 62 68.543 -3.638 -8.187 1.00 0.00 C ATOM 896 O PRO A 62 68.218 -2.599 -7.646 1.00 0.00 O ATOM 897 CB PRO A 62 66.855 -3.715 -10.063 1.00 0.00 C ATOM 898 CG PRO A 62 65.354 -3.524 -9.770 1.00 0.00 C ATOM 899 CD PRO A 62 65.048 -4.107 -8.385 1.00 0.00 C ATOM 0 HA PRO A 62 67.995 -5.403 -9.229 1.00 0.00 H new ATOM 0 HB2 PRO A 62 67.343 -2.747 -10.179 1.00 0.00 H new ATOM 0 HB3 PRO A 62 66.991 -4.255 -11.000 1.00 0.00 H new ATOM 0 HG2 PRO A 62 65.094 -2.466 -9.801 1.00 0.00 H new ATOM 0 HG3 PRO A 62 64.754 -4.022 -10.531 1.00 0.00 H new ATOM 0 HD2 PRO A 62 64.744 -3.335 -7.678 1.00 0.00 H new ATOM 0 HD3 PRO A 62 64.242 -4.840 -8.422 1.00 0.00 H new ATOM 907 N PRO A 63 69.771 -4.094 -8.193 1.00 0.00 N ATOM 908 CA PRO A 63 70.856 -3.342 -7.520 1.00 0.00 C ATOM 909 C PRO A 63 70.975 -1.936 -8.116 1.00 0.00 C ATOM 910 O PRO A 63 70.923 -1.753 -9.316 1.00 0.00 O ATOM 911 CB PRO A 63 72.092 -4.191 -7.823 1.00 0.00 C ATOM 912 CG PRO A 63 71.664 -5.405 -8.671 1.00 0.00 C ATOM 913 CD PRO A 63 70.143 -5.359 -8.864 1.00 0.00 C ATOM 0 HA PRO A 63 70.699 -3.194 -6.452 1.00 0.00 H new ATOM 0 HB2 PRO A 63 72.834 -3.599 -8.359 1.00 0.00 H new ATOM 0 HB3 PRO A 63 72.558 -4.524 -6.896 1.00 0.00 H new ATOM 0 HG2 PRO A 63 72.168 -5.387 -9.637 1.00 0.00 H new ATOM 0 HG3 PRO A 63 71.954 -6.332 -8.177 1.00 0.00 H new ATOM 0 HD2 PRO A 63 69.868 -5.354 -9.919 1.00 0.00 H new ATOM 0 HD3 PRO A 63 69.651 -6.219 -8.410 1.00 0.00 H new ATOM 921 N ASN A 64 71.119 -0.940 -7.285 1.00 0.00 N ATOM 922 CA ASN A 64 71.225 0.454 -7.803 1.00 0.00 C ATOM 923 C ASN A 64 72.657 0.977 -7.672 1.00 0.00 C ATOM 924 O ASN A 64 73.496 0.372 -7.036 1.00 0.00 O ATOM 925 CB ASN A 64 70.281 1.268 -6.917 1.00 0.00 C ATOM 926 CG ASN A 64 68.900 0.611 -6.905 1.00 0.00 C ATOM 927 OD1 ASN A 64 68.699 -0.443 -6.162 1.00 0.00 O flip ATOM 928 ND2 ASN A 64 67.995 1.061 -7.579 1.00 0.00 N flip ATOM 0 H ASN A 64 71.168 -1.031 -6.270 1.00 0.00 H new ATOM 0 HA ASN A 64 70.967 0.518 -8.860 1.00 0.00 H new ATOM 0 HB2 ASN A 64 70.677 1.326 -5.903 1.00 0.00 H new ATOM 0 HB3 ASN A 64 70.206 2.290 -7.289 1.00 0.00 H new ATOM 0 HD21 ASN A 64 68.152 1.885 -8.160 1.00 0.00 H new ATOM 0 HD22 ASN A 64 67.078 0.615 -7.564 1.00 0.00 H new ATOM 935 N ALA A 65 72.936 2.108 -8.263 1.00 0.00 N ATOM 936 CA ALA A 65 74.307 2.684 -8.168 1.00 0.00 C ATOM 937 C ALA A 65 74.401 3.587 -6.938 1.00 0.00 C ATOM 938 O ALA A 65 75.073 4.600 -6.944 1.00 0.00 O ATOM 939 CB ALA A 65 74.486 3.499 -9.449 1.00 0.00 C ATOM 0 H ALA A 65 72.272 2.658 -8.808 1.00 0.00 H new ATOM 0 HA ALA A 65 75.077 1.919 -8.067 1.00 0.00 H new ATOM 0 HB1 ALA A 65 75.475 3.957 -9.454 1.00 0.00 H new ATOM 0 HB2 ALA A 65 74.385 2.844 -10.314 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.725 4.279 -9.494 1.00 0.00 H new ATOM 945 N VAL A 66 73.725 3.224 -5.884 1.00 0.00 N ATOM 946 CA VAL A 66 73.762 4.053 -4.645 1.00 0.00 C ATOM 947 C VAL A 66 74.960 3.658 -3.783 1.00 0.00 C ATOM 948 O VAL A 66 74.949 2.631 -3.134 1.00 0.00 O ATOM 949 CB VAL A 66 72.454 3.736 -3.916 1.00 0.00 C ATOM 950 CG1 VAL A 66 71.267 4.145 -4.788 1.00 0.00 C ATOM 951 CG2 VAL A 66 72.380 2.233 -3.633 1.00 0.00 C ATOM 0 H VAL A 66 73.146 2.386 -5.826 1.00 0.00 H new ATOM 0 HA VAL A 66 73.861 5.116 -4.863 1.00 0.00 H new ATOM 0 HB VAL A 66 72.422 4.288 -2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 66 70.337 3.918 -4.266 1.00 0.00 H new ATOM 0 HG12 VAL A 66 71.317 5.215 -4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 66 71.299 3.594 -5.728 1.00 0.00 H new ATOM 0 HG21 VAL A 66 71.449 2.006 -3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 66 72.414 1.684 -4.574 1.00 0.00 H new ATOM 0 HG23 VAL A 66 73.224 1.938 -3.010 1.00 0.00 H new ATOM 961 N SER A 67 75.987 4.464 -3.763 1.00 0.00 N ATOM 962 CA SER A 67 77.176 4.127 -2.929 1.00 0.00 C ATOM 963 C SER A 67 76.707 3.597 -1.573 1.00 0.00 C ATOM 964 O SER A 67 75.626 3.907 -1.125 1.00 0.00 O ATOM 965 CB SER A 67 77.934 5.444 -2.765 1.00 0.00 C ATOM 966 OG SER A 67 79.331 5.182 -2.748 1.00 0.00 O ATOM 0 H SER A 67 76.054 5.337 -4.286 1.00 0.00 H new ATOM 0 HA SER A 67 77.806 3.359 -3.379 1.00 0.00 H new ATOM 0 HB2 SER A 67 77.689 6.122 -3.583 1.00 0.00 H new ATOM 0 HB3 SER A 67 77.633 5.937 -1.841 1.00 0.00 H new ATOM 0 HG SER A 67 79.821 6.025 -2.645 1.00 0.00 H new ATOM 972 N ASP A 68 77.495 2.790 -0.923 1.00 0.00 N ATOM 973 CA ASP A 68 77.063 2.241 0.395 1.00 0.00 C ATOM 974 C ASP A 68 76.447 3.341 1.264 1.00 0.00 C ATOM 975 O ASP A 68 75.496 3.112 1.985 1.00 0.00 O ATOM 976 CB ASP A 68 78.339 1.696 1.038 1.00 0.00 C ATOM 977 CG ASP A 68 78.394 0.179 0.856 1.00 0.00 C ATOM 978 OD1 ASP A 68 77.646 -0.326 0.034 1.00 0.00 O ATOM 979 OD2 ASP A 68 79.183 -0.451 1.539 1.00 0.00 O ATOM 0 H ASP A 68 78.415 2.487 -1.243 1.00 0.00 H new ATOM 0 HA ASP A 68 76.301 1.470 0.285 1.00 0.00 H new ATOM 0 HB2 ASP A 68 79.215 2.159 0.583 1.00 0.00 H new ATOM 0 HB3 ASP A 68 78.360 1.947 2.099 1.00 0.00 H new ATOM 984 N ASP A 69 76.979 4.530 1.211 1.00 0.00 N ATOM 985 CA ASP A 69 76.417 5.631 2.043 1.00 0.00 C ATOM 986 C ASP A 69 75.002 5.988 1.578 1.00 0.00 C ATOM 987 O ASP A 69 74.119 6.227 2.377 1.00 0.00 O ATOM 988 CB ASP A 69 77.365 6.811 1.835 1.00 0.00 C ATOM 989 CG ASP A 69 78.152 7.068 3.121 1.00 0.00 C ATOM 990 OD1 ASP A 69 77.525 7.346 4.131 1.00 0.00 O ATOM 991 OD2 ASP A 69 79.368 6.981 3.075 1.00 0.00 O ATOM 0 H ASP A 69 77.777 4.787 0.629 1.00 0.00 H new ATOM 0 HA ASP A 69 76.339 5.351 3.093 1.00 0.00 H new ATOM 0 HB2 ASP A 69 78.050 6.600 1.013 1.00 0.00 H new ATOM 0 HB3 ASP A 69 76.799 7.701 1.559 1.00 0.00 H new ATOM 996 N GLU A 70 74.780 6.033 0.292 1.00 0.00 N ATOM 997 CA GLU A 70 73.422 6.381 -0.216 1.00 0.00 C ATOM 998 C GLU A 70 72.427 5.260 0.091 1.00 0.00 C ATOM 999 O GLU A 70 71.281 5.506 0.409 1.00 0.00 O ATOM 1000 CB GLU A 70 73.593 6.552 -1.726 1.00 0.00 C ATOM 1001 CG GLU A 70 74.511 7.745 -2.003 1.00 0.00 C ATOM 1002 CD GLU A 70 73.683 8.918 -2.532 1.00 0.00 C ATOM 1003 OE1 GLU A 70 72.538 9.039 -2.130 1.00 0.00 O ATOM 1004 OE2 GLU A 70 74.210 9.676 -3.329 1.00 0.00 O ATOM 0 H GLU A 70 75.478 5.844 -0.427 1.00 0.00 H new ATOM 0 HA GLU A 70 73.029 7.282 0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 70 74.016 5.646 -2.160 1.00 0.00 H new ATOM 0 HB3 GLU A 70 72.623 6.709 -2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 70 75.031 8.036 -1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 70 75.274 7.468 -2.730 1.00 0.00 H new ATOM 1011 N ALA A 71 72.855 4.031 0.010 1.00 0.00 N ATOM 1012 CA ALA A 71 71.928 2.904 0.311 1.00 0.00 C ATOM 1013 C ALA A 71 71.697 2.837 1.820 1.00 0.00 C ATOM 1014 O ALA A 71 70.725 2.281 2.289 1.00 0.00 O ATOM 1015 CB ALA A 71 72.649 1.651 -0.184 1.00 0.00 C ATOM 0 H ALA A 71 73.803 3.759 -0.251 1.00 0.00 H new ATOM 0 HA ALA A 71 70.954 3.015 -0.166 1.00 0.00 H new ATOM 0 HB1 ALA A 71 72.027 0.776 0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 71 72.839 1.739 -1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 71 73.596 1.543 0.345 1.00 0.00 H new ATOM 1021 N GLN A 72 72.584 3.419 2.582 1.00 0.00 N ATOM 1022 CA GLN A 72 72.420 3.414 4.058 1.00 0.00 C ATOM 1023 C GLN A 72 71.353 4.437 4.437 1.00 0.00 C ATOM 1024 O GLN A 72 70.428 4.150 5.172 1.00 0.00 O ATOM 1025 CB GLN A 72 73.790 3.815 4.605 1.00 0.00 C ATOM 1026 CG GLN A 72 73.642 4.351 6.030 1.00 0.00 C ATOM 1027 CD GLN A 72 74.895 4.005 6.837 1.00 0.00 C ATOM 1028 OE1 GLN A 72 75.297 2.860 6.895 1.00 0.00 O ATOM 1029 NE2 GLN A 72 75.533 4.953 7.465 1.00 0.00 N ATOM 0 H GLN A 72 73.417 3.899 2.241 1.00 0.00 H new ATOM 0 HA GLN A 72 72.104 2.450 4.457 1.00 0.00 H new ATOM 0 HB2 GLN A 72 74.460 2.956 4.598 1.00 0.00 H new ATOM 0 HB3 GLN A 72 74.239 4.575 3.966 1.00 0.00 H new ATOM 0 HG2 GLN A 72 73.496 5.431 6.011 1.00 0.00 H new ATOM 0 HG3 GLN A 72 72.761 3.918 6.503 1.00 0.00 H new ATOM 0 HE21 GLN A 72 75.195 5.914 7.416 1.00 0.00 H new ATOM 0 HE22 GLN A 72 76.370 4.733 8.005 1.00 0.00 H new ATOM 1038 N THR A 73 71.464 5.626 3.915 1.00 0.00 N ATOM 1039 CA THR A 73 70.444 6.664 4.217 1.00 0.00 C ATOM 1040 C THR A 73 69.118 6.230 3.600 1.00 0.00 C ATOM 1041 O THR A 73 68.052 6.591 4.058 1.00 0.00 O ATOM 1042 CB THR A 73 70.964 7.941 3.556 1.00 0.00 C ATOM 1043 OG1 THR A 73 72.001 8.494 4.354 1.00 0.00 O ATOM 1044 CG2 THR A 73 69.826 8.953 3.421 1.00 0.00 C ATOM 0 H THR A 73 72.216 5.922 3.293 1.00 0.00 H new ATOM 0 HA THR A 73 70.283 6.816 5.284 1.00 0.00 H new ATOM 0 HB THR A 73 71.352 7.705 2.565 1.00 0.00 H new ATOM 0 HG1 THR A 73 72.338 9.312 3.932 1.00 0.00 H new ATOM 0 HG21 THR A 73 70.201 9.861 2.950 1.00 0.00 H new ATOM 0 HG22 THR A 73 69.031 8.527 2.808 1.00 0.00 H new ATOM 0 HG23 THR A 73 69.433 9.193 4.409 1.00 0.00 H new ATOM 1052 N LEU A 74 69.187 5.433 2.567 1.00 0.00 N ATOM 1053 CA LEU A 74 67.944 4.937 1.915 1.00 0.00 C ATOM 1054 C LEU A 74 67.270 3.928 2.845 1.00 0.00 C ATOM 1055 O LEU A 74 66.062 3.882 2.961 1.00 0.00 O ATOM 1056 CB LEU A 74 68.415 4.260 0.624 1.00 0.00 C ATOM 1057 CG LEU A 74 68.595 5.317 -0.468 1.00 0.00 C ATOM 1058 CD1 LEU A 74 69.168 4.662 -1.726 1.00 0.00 C ATOM 1059 CD2 LEU A 74 67.238 5.948 -0.795 1.00 0.00 C ATOM 0 H LEU A 74 70.056 5.104 2.146 1.00 0.00 H new ATOM 0 HA LEU A 74 67.223 5.727 1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 74 69.355 3.736 0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 74 67.688 3.513 0.306 1.00 0.00 H new ATOM 0 HG LEU A 74 69.281 6.088 -0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 74 69.296 5.416 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 74 70.134 4.212 -1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 74 68.484 3.890 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 74 67.365 6.701 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 74 66.553 5.176 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 74 66.829 6.416 0.100 1.00 0.00 H new ATOM 1071 N ALA A 75 68.052 3.131 3.523 1.00 0.00 N ATOM 1072 CA ALA A 75 67.468 2.135 4.464 1.00 0.00 C ATOM 1073 C ALA A 75 66.814 2.865 5.635 1.00 0.00 C ATOM 1074 O ALA A 75 65.656 2.658 5.940 1.00 0.00 O ATOM 1075 CB ALA A 75 68.652 1.293 4.943 1.00 0.00 C ATOM 0 H ALA A 75 69.070 3.128 3.465 1.00 0.00 H new ATOM 0 HA ALA A 75 66.702 1.515 3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 75 68.300 0.535 5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 75 69.123 0.808 4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 75 69.378 1.936 5.441 1.00 0.00 H new ATOM 1081 N LYS A 76 67.538 3.735 6.286 1.00 0.00 N ATOM 1082 CA LYS A 76 66.936 4.487 7.422 1.00 0.00 C ATOM 1083 C LYS A 76 65.799 5.359 6.892 1.00 0.00 C ATOM 1084 O LYS A 76 64.864 5.681 7.596 1.00 0.00 O ATOM 1085 CB LYS A 76 68.069 5.345 7.986 1.00 0.00 C ATOM 1086 CG LYS A 76 68.486 4.798 9.354 1.00 0.00 C ATOM 1087 CD LYS A 76 68.525 5.936 10.376 1.00 0.00 C ATOM 1088 CE LYS A 76 69.898 5.967 11.050 1.00 0.00 C ATOM 1089 NZ LYS A 76 69.860 4.863 12.049 1.00 0.00 N ATOM 0 H LYS A 76 68.513 3.956 6.082 1.00 0.00 H new ATOM 0 HA LYS A 76 66.520 3.836 8.191 1.00 0.00 H new ATOM 0 HB2 LYS A 76 68.920 5.338 7.304 1.00 0.00 H new ATOM 0 HB3 LYS A 76 67.744 6.381 8.080 1.00 0.00 H new ATOM 0 HG2 LYS A 76 67.784 4.030 9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 76 69.466 4.326 9.284 1.00 0.00 H new ATOM 0 HD2 LYS A 76 68.328 6.888 9.884 1.00 0.00 H new ATOM 0 HD3 LYS A 76 67.744 5.795 11.123 1.00 0.00 H new ATOM 0 HE2 LYS A 76 70.698 5.816 10.325 1.00 0.00 H new ATOM 0 HE3 LYS A 76 70.081 6.928 11.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 70.011 5.252 13.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 68.934 4.391 12.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 70.609 4.174 11.834 1.00 0.00 H new ATOM 1103 N TRP A 77 65.871 5.730 5.641 1.00 0.00 N ATOM 1104 CA TRP A 77 64.791 6.563 5.043 1.00 0.00 C ATOM 1105 C TRP A 77 63.490 5.762 5.017 1.00 0.00 C ATOM 1106 O TRP A 77 62.417 6.290 5.226 1.00 0.00 O ATOM 1107 CB TRP A 77 65.271 6.868 3.624 1.00 0.00 C ATOM 1108 CG TRP A 77 64.138 7.412 2.816 1.00 0.00 C ATOM 1109 CD1 TRP A 77 63.504 8.583 3.053 1.00 0.00 C ATOM 1110 CD2 TRP A 77 63.498 6.831 1.644 1.00 0.00 C ATOM 1111 NE1 TRP A 77 62.513 8.756 2.101 1.00 0.00 N ATOM 1112 CE2 TRP A 77 62.471 7.701 1.211 1.00 0.00 C ATOM 1113 CE3 TRP A 77 63.706 5.641 0.924 1.00 0.00 C ATOM 1114 CZ2 TRP A 77 61.679 7.404 0.101 1.00 0.00 C ATOM 1115 CZ3 TRP A 77 62.911 5.339 -0.195 1.00 0.00 C ATOM 1116 CH2 TRP A 77 61.899 6.219 -0.604 1.00 0.00 C ATOM 0 H TRP A 77 66.634 5.491 5.007 1.00 0.00 H new ATOM 0 HA TRP A 77 64.597 7.477 5.605 1.00 0.00 H new ATOM 0 HB2 TRP A 77 66.089 7.588 3.653 1.00 0.00 H new ATOM 0 HB3 TRP A 77 65.660 5.962 3.159 1.00 0.00 H new ATOM 0 HD1 TRP A 77 63.733 9.271 3.854 1.00 0.00 H new ATOM 0 HE1 TRP A 77 61.891 9.563 2.062 1.00 0.00 H new ATOM 0 HE3 TRP A 77 64.481 4.955 1.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 60.902 8.086 -0.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 63.081 4.424 -0.743 1.00 0.00 H new ATOM 0 HH2 TRP A 77 61.290 5.980 -1.464 1.00 0.00 H new ATOM 1127 N ILE A 78 63.584 4.483 4.772 1.00 0.00 N ATOM 1128 CA ILE A 78 62.360 3.634 4.742 1.00 0.00 C ATOM 1129 C ILE A 78 61.825 3.452 6.166 1.00 0.00 C ATOM 1130 O ILE A 78 60.646 3.592 6.422 1.00 0.00 O ATOM 1131 CB ILE A 78 62.819 2.290 4.166 1.00 0.00 C ATOM 1132 CG1 ILE A 78 63.416 2.499 2.768 1.00 0.00 C ATOM 1133 CG2 ILE A 78 61.624 1.342 4.069 1.00 0.00 C ATOM 1134 CD1 ILE A 78 64.545 1.492 2.541 1.00 0.00 C ATOM 0 H ILE A 78 64.458 3.989 4.591 1.00 0.00 H new ATOM 0 HA ILE A 78 61.560 4.075 4.147 1.00 0.00 H new ATOM 0 HB ILE A 78 63.577 1.860 4.821 1.00 0.00 H new ATOM 0 HG12 ILE A 78 62.644 2.374 2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 78 63.796 3.516 2.671 1.00 0.00 H new ATOM 0 HG21 ILE A 78 61.950 0.386 3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 78 61.202 1.186 5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 78 60.867 1.777 3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 78 64.970 1.639 1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.320 1.639 3.293 1.00 0.00 H new ATOM 0 HD13 ILE A 78 64.150 0.479 2.620 1.00 0.00 H new ATOM 1146 N LEU A 79 62.689 3.142 7.094 1.00 0.00 N ATOM 1147 CA LEU A 79 62.238 2.954 8.502 1.00 0.00 C ATOM 1148 C LEU A 79 61.794 4.292 9.100 1.00 0.00 C ATOM 1149 O LEU A 79 61.205 4.344 10.161 1.00 0.00 O ATOM 1150 CB LEU A 79 63.468 2.421 9.239 1.00 0.00 C ATOM 1151 CG LEU A 79 63.715 0.970 8.831 1.00 0.00 C ATOM 1152 CD1 LEU A 79 64.931 0.897 7.907 1.00 0.00 C ATOM 1153 CD2 LEU A 79 63.977 0.128 10.081 1.00 0.00 C ATOM 0 H LEU A 79 63.688 3.011 6.938 1.00 0.00 H new ATOM 0 HA LEU A 79 61.388 2.276 8.577 1.00 0.00 H new ATOM 0 HB2 LEU A 79 64.340 3.030 9.002 1.00 0.00 H new ATOM 0 HB3 LEU A 79 63.317 2.487 10.316 1.00 0.00 H new ATOM 0 HG LEU A 79 62.839 0.587 8.308 1.00 0.00 H new ATOM 0 HD11 LEU A 79 65.106 -0.139 7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 79 64.747 1.497 7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 79 65.808 1.281 8.429 1.00 0.00 H new ATOM 0 HD21 LEU A 79 64.153 -0.908 9.791 1.00 0.00 H new ATOM 0 HD22 LEU A 79 64.853 0.513 10.602 1.00 0.00 H new ATOM 0 HD23 LEU A 79 63.111 0.178 10.741 1.00 0.00 H new ATOM 1165 N SER A 80 62.077 5.374 8.428 1.00 0.00 N ATOM 1166 CA SER A 80 61.677 6.707 8.960 1.00 0.00 C ATOM 1167 C SER A 80 60.338 7.144 8.356 1.00 0.00 C ATOM 1168 O SER A 80 59.721 8.085 8.813 1.00 0.00 O ATOM 1169 CB SER A 80 62.796 7.655 8.532 1.00 0.00 C ATOM 1170 OG SER A 80 63.918 7.476 9.387 1.00 0.00 O ATOM 0 H SER A 80 62.568 5.393 7.534 1.00 0.00 H new ATOM 0 HA SER A 80 61.544 6.695 10.042 1.00 0.00 H new ATOM 0 HB2 SER A 80 63.078 7.459 7.497 1.00 0.00 H new ATOM 0 HB3 SER A 80 62.451 8.688 8.578 1.00 0.00 H new ATOM 0 HG SER A 80 64.519 6.804 9.002 1.00 0.00 H new