USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 921 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 107 ASN : amide:sc= -0.665 X(o=-2.6,f=-2.2) USER MOD Set 1.2: A 108 THR OG1 : rot 86:sc= -1.98! USER MOD Set 2.1: A 82 MET CE :methyl -178:sc= -10.8! (180deg=-8!) USER MOD Set 2.2: A 84 THR OG1 : rot -150:sc= -2.28! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0834 (180deg=-0.0351) USER MOD Single : A 11 CYS SG : rot -38:sc= -5.62! USER MOD Single : A 12 HIS : no HD1:sc= -0.62 X(o=-0.62,f=-0.32) USER MOD Single : A 13 ASN : amide:sc= -5.81! C(o=-5.8!,f=-6.4!) USER MOD Single : A 14 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.715) USER MOD Single : A 20 GLN : amide:sc= -4.17! C(o=-4.2!,f=-5.2!) USER MOD Single : A 21 MET CE :methyl -153:sc= -7.02! (180deg=-11.5!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -137:sc= 0.468 (180deg=-1.96!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 65:sc= 0.482 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.107 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= -0.0317 (180deg=-0.0317) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.505) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.442 USER MOD Single : A 78 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.084) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -13.4! C(o=-13!,f=-15!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS :FLIP no HE2:sc= -8.86! F(o=-10,f=-8.9!) USER MOD Single : A 116 THR OG1 : rot 93:sc= -0.315 USER MOD Single : A 119 SER OG : rot 67:sc= 1.25 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.623 -2.294 -2.772 1.00 61.31 N ATOM 2 CA MET A 1 1.429 -1.499 -3.034 1.00 32.44 C ATOM 3 C MET A 1 1.790 -0.035 -3.262 1.00 74.15 C ATOM 4 O MET A 1 2.874 0.412 -2.891 1.00 64.20 O ATOM 5 CB MET A 1 0.446 -1.618 -1.867 1.00 73.24 C ATOM 6 CG MET A 1 -0.243 -2.971 -1.789 1.00 20.14 C ATOM 7 SD MET A 1 -1.368 -3.097 -0.385 1.00 51.02 S ATOM 8 CE MET A 1 -2.898 -3.521 -1.215 1.00 0.42 C ATOM 0 H1 MET A 1 2.769 -2.968 -3.550 1.00 61.31 H new ATOM 0 H2 MET A 1 3.449 -1.666 -2.698 1.00 61.31 H new ATOM 0 H3 MET A 1 2.504 -2.816 -1.880 1.00 61.31 H new ATOM 0 HA MET A 1 0.958 -1.884 -3.938 1.00 32.44 H new ATOM 0 HB2 MET A 1 0.979 -1.436 -0.934 1.00 73.24 H new ATOM 0 HB3 MET A 1 -0.311 -0.839 -1.959 1.00 73.24 H new ATOM 0 HG2 MET A 1 -0.798 -3.146 -2.711 1.00 20.14 H new ATOM 0 HG3 MET A 1 0.511 -3.755 -1.717 1.00 20.14 H new ATOM 0 HE1 MET A 1 -3.693 -3.634 -0.478 1.00 0.42 H new ATOM 0 HE2 MET A 1 -3.163 -2.730 -1.916 1.00 0.42 H new ATOM 0 HE3 MET A 1 -2.770 -4.458 -1.757 1.00 0.42 H new ATOM 18 N ALA A 2 0.873 0.707 -3.876 1.00 65.54 N ATOM 19 CA ALA A 2 1.095 2.120 -4.153 1.00 1.41 C ATOM 20 C ALA A 2 2.421 2.338 -4.873 1.00 65.53 C ATOM 21 O ALA A 2 2.519 2.146 -6.085 1.00 10.30 O ATOM 22 CB ALA A 2 1.056 2.923 -2.861 1.00 4.20 C ATOM 0 H ALA A 2 -0.030 0.352 -4.191 1.00 65.54 H new ATOM 0 HA ALA A 2 0.295 2.466 -4.808 1.00 1.41 H new ATOM 0 HB1 ALA A 2 1.223 3.977 -3.083 1.00 4.20 H new ATOM 0 HB2 ALA A 2 0.082 2.802 -2.387 1.00 4.20 H new ATOM 0 HB3 ALA A 2 1.835 2.566 -2.187 1.00 4.20 H new ATOM 28 N ALA A 3 3.440 2.739 -4.120 1.00 20.22 N ATOM 29 CA ALA A 3 4.761 2.981 -4.687 1.00 31.43 C ATOM 30 C ALA A 3 4.773 4.253 -5.528 1.00 31.34 C ATOM 31 O ALA A 3 4.882 4.197 -6.752 1.00 34.50 O ATOM 32 CB ALA A 3 5.203 1.789 -5.523 1.00 34.31 C ATOM 0 H ALA A 3 3.376 2.903 -3.115 1.00 20.22 H new ATOM 0 HA ALA A 3 5.463 3.114 -3.864 1.00 31.43 H new ATOM 0 HB1 ALA A 3 6.191 1.984 -5.940 1.00 34.31 H new ATOM 0 HB2 ALA A 3 5.243 0.899 -4.895 1.00 34.31 H new ATOM 0 HB3 ALA A 3 4.492 1.629 -6.334 1.00 34.31 H new ATOM 38 N GLU A 4 4.660 5.398 -4.862 1.00 34.21 N ATOM 39 CA GLU A 4 4.656 6.683 -5.550 1.00 10.40 C ATOM 40 C GLU A 4 3.649 6.684 -6.696 1.00 53.14 C ATOM 41 O GLU A 4 3.936 6.196 -7.788 1.00 64.35 O ATOM 42 CB GLU A 4 6.053 7.005 -6.084 1.00 43.11 C ATOM 43 CG GLU A 4 6.119 8.301 -6.874 1.00 5.51 C ATOM 44 CD GLU A 4 7.531 8.650 -7.306 1.00 75.33 C ATOM 45 OE1 GLU A 4 8.475 8.343 -6.549 1.00 61.11 O ATOM 46 OE2 GLU A 4 7.690 9.229 -8.401 1.00 23.11 O ATOM 0 H GLU A 4 4.570 5.462 -3.848 1.00 34.21 H new ATOM 0 HA GLU A 4 4.364 7.449 -4.832 1.00 10.40 H new ATOM 0 HB2 GLU A 4 6.748 7.064 -5.247 1.00 43.11 H new ATOM 0 HB3 GLU A 4 6.388 6.185 -6.719 1.00 43.11 H new ATOM 0 HG2 GLU A 4 5.484 8.217 -7.756 1.00 5.51 H new ATOM 0 HG3 GLU A 4 5.718 9.113 -6.267 1.00 5.51 H new ATOM 53 N GLU A 5 2.467 7.236 -6.438 1.00 21.21 N ATOM 54 CA GLU A 5 1.417 7.299 -7.448 1.00 31.45 C ATOM 55 C GLU A 5 1.303 8.706 -8.027 1.00 34.32 C ATOM 56 O GLU A 5 2.272 9.464 -8.041 1.00 35.41 O ATOM 57 CB GLU A 5 0.076 6.872 -6.847 1.00 73.35 C ATOM 58 CG GLU A 5 0.190 5.731 -5.850 1.00 45.12 C ATOM 59 CD GLU A 5 0.459 4.397 -6.518 1.00 60.35 C ATOM 60 OE1 GLU A 5 1.607 4.172 -6.956 1.00 33.22 O ATOM 61 OE2 GLU A 5 -0.480 3.577 -6.604 1.00 5.13 O ATOM 0 H GLU A 5 2.213 7.646 -5.539 1.00 21.21 H new ATOM 0 HA GLU A 5 1.681 6.614 -8.254 1.00 31.45 H new ATOM 0 HB2 GLU A 5 -0.381 7.730 -6.354 1.00 73.35 H new ATOM 0 HB3 GLU A 5 -0.595 6.573 -7.653 1.00 73.35 H new ATOM 0 HG2 GLU A 5 0.992 5.948 -5.145 1.00 45.12 H new ATOM 0 HG3 GLU A 5 -0.732 5.665 -5.273 1.00 45.12 H new ATOM 68 N GLY A 6 0.110 9.048 -8.505 1.00 71.51 N ATOM 69 CA GLY A 6 -0.110 10.362 -9.080 1.00 20.22 C ATOM 70 C GLY A 6 -0.411 11.411 -8.028 1.00 54.34 C ATOM 71 O GLY A 6 -1.092 12.400 -8.304 1.00 62.53 O ATOM 0 H GLY A 6 -0.708 8.438 -8.504 1.00 71.51 H new ATOM 0 HA2 GLY A 6 0.773 10.661 -9.645 1.00 20.22 H new ATOM 0 HA3 GLY A 6 -0.938 10.312 -9.787 1.00 20.22 H new ATOM 75 N VAL A 7 0.095 11.197 -6.818 1.00 72.21 N ATOM 76 CA VAL A 7 -0.124 12.132 -5.721 1.00 75.21 C ATOM 77 C VAL A 7 1.147 12.910 -5.400 1.00 55.11 C ATOM 78 O VAL A 7 2.189 12.701 -6.020 1.00 62.42 O ATOM 79 CB VAL A 7 -0.602 11.404 -4.450 1.00 54.15 C ATOM 80 CG1 VAL A 7 -1.517 10.243 -4.812 1.00 3.43 C ATOM 81 CG2 VAL A 7 0.587 10.922 -3.634 1.00 0.54 C ATOM 0 H VAL A 7 0.660 10.384 -6.572 1.00 72.21 H new ATOM 0 HA VAL A 7 -0.899 12.826 -6.047 1.00 75.21 H new ATOM 0 HB VAL A 7 -1.170 12.107 -3.841 1.00 54.15 H new ATOM 0 HG11 VAL A 7 -1.845 9.741 -3.902 1.00 3.43 H new ATOM 0 HG12 VAL A 7 -2.386 10.619 -5.352 1.00 3.43 H new ATOM 0 HG13 VAL A 7 -0.976 9.536 -5.442 1.00 3.43 H new ATOM 0 HG21 VAL A 7 0.231 10.410 -2.740 1.00 0.54 H new ATOM 0 HG22 VAL A 7 1.184 10.234 -4.233 1.00 0.54 H new ATOM 0 HG23 VAL A 7 1.199 11.776 -3.344 1.00 0.54 H new ATOM 91 N VAL A 8 1.053 13.810 -4.426 1.00 72.10 N ATOM 92 CA VAL A 8 2.196 14.619 -4.021 1.00 13.44 C ATOM 93 C VAL A 8 3.417 13.748 -3.748 1.00 11.53 C ATOM 94 O VAL A 8 3.585 13.226 -2.646 1.00 20.34 O ATOM 95 CB VAL A 8 1.878 15.448 -2.762 1.00 1.03 C ATOM 96 CG1 VAL A 8 0.701 16.377 -3.016 1.00 73.35 C ATOM 97 CG2 VAL A 8 1.600 14.533 -1.578 1.00 50.44 C ATOM 0 H VAL A 8 0.197 13.997 -3.903 1.00 72.10 H new ATOM 0 HA VAL A 8 2.414 15.296 -4.847 1.00 13.44 H new ATOM 0 HB VAL A 8 2.747 16.060 -2.523 1.00 1.03 H new ATOM 0 HG11 VAL A 8 0.492 16.954 -2.115 1.00 73.35 H new ATOM 0 HG12 VAL A 8 0.943 17.056 -3.834 1.00 73.35 H new ATOM 0 HG13 VAL A 8 -0.177 15.788 -3.282 1.00 73.35 H new ATOM 0 HG21 VAL A 8 1.377 15.135 -0.697 1.00 50.44 H new ATOM 0 HG22 VAL A 8 0.747 13.893 -1.805 1.00 50.44 H new ATOM 0 HG23 VAL A 8 2.476 13.915 -1.383 1.00 50.44 H new ATOM 107 N ILE A 9 4.267 13.597 -4.758 1.00 15.30 N ATOM 108 CA ILE A 9 5.474 12.791 -4.626 1.00 75.12 C ATOM 109 C ILE A 9 6.160 13.043 -3.288 1.00 51.21 C ATOM 110 O ILE A 9 5.834 13.996 -2.582 1.00 15.54 O ATOM 111 CB ILE A 9 6.470 13.079 -5.764 1.00 44.42 C ATOM 112 CG1 ILE A 9 5.762 13.020 -7.119 1.00 63.43 C ATOM 113 CG2 ILE A 9 7.626 12.090 -5.720 1.00 15.41 C ATOM 114 CD1 ILE A 9 4.956 11.757 -7.324 1.00 74.52 C ATOM 0 H ILE A 9 4.142 14.022 -5.677 1.00 15.30 H new ATOM 0 HA ILE A 9 5.164 11.747 -4.681 1.00 75.12 H new ATOM 0 HB ILE A 9 6.872 14.083 -5.629 1.00 44.42 H new ATOM 0 HG12 ILE A 9 5.102 13.882 -7.213 1.00 63.43 H new ATOM 0 HG13 ILE A 9 6.505 13.100 -7.912 1.00 63.43 H new ATOM 0 HG21 ILE A 9 8.321 12.307 -6.531 1.00 15.41 H new ATOM 0 HG22 ILE A 9 8.144 12.178 -4.765 1.00 15.41 H new ATOM 0 HG23 ILE A 9 7.242 11.076 -5.833 1.00 15.41 H new ATOM 0 HD11 ILE A 9 4.482 11.783 -8.305 1.00 74.52 H new ATOM 0 HD12 ILE A 9 5.615 10.891 -7.262 1.00 74.52 H new ATOM 0 HD13 ILE A 9 4.190 11.685 -6.552 1.00 74.52 H new ATOM 126 N ALA A 10 7.114 12.183 -2.947 1.00 51.12 N ATOM 127 CA ALA A 10 7.850 12.315 -1.696 1.00 34.22 C ATOM 128 C ALA A 10 9.325 11.981 -1.889 1.00 10.04 C ATOM 129 O ALA A 10 9.772 10.884 -1.552 1.00 61.11 O ATOM 130 CB ALA A 10 7.239 11.419 -0.628 1.00 1.21 C ATOM 0 H ALA A 10 7.395 11.387 -3.520 1.00 51.12 H new ATOM 0 HA ALA A 10 7.780 13.352 -1.369 1.00 34.22 H new ATOM 0 HB1 ALA A 10 7.798 11.527 0.301 1.00 1.21 H new ATOM 0 HB2 ALA A 10 6.201 11.706 -0.462 1.00 1.21 H new ATOM 0 HB3 ALA A 10 7.280 10.381 -0.957 1.00 1.21 H new ATOM 136 N CYS A 11 10.076 12.933 -2.432 1.00 73.40 N ATOM 137 CA CYS A 11 11.501 12.739 -2.671 1.00 65.41 C ATOM 138 C CYS A 11 12.267 12.657 -1.355 1.00 23.44 C ATOM 139 O CYS A 11 11.688 12.797 -0.277 1.00 74.32 O ATOM 140 CB CYS A 11 12.056 13.878 -3.528 1.00 31.05 C ATOM 141 SG CYS A 11 11.836 15.520 -2.803 1.00 50.14 S ATOM 0 H CYS A 11 9.721 13.847 -2.715 1.00 73.40 H new ATOM 0 HA CYS A 11 11.629 11.797 -3.204 1.00 65.41 H new ATOM 0 HB2 CYS A 11 13.119 13.707 -3.697 1.00 31.05 H new ATOM 0 HB3 CYS A 11 11.570 13.855 -4.503 1.00 31.05 H new ATOM 0 HG CYS A 11 10.676 15.585 -2.220 1.00 50.14 H new ATOM 147 N HIS A 12 13.573 12.427 -1.449 1.00 2.11 N ATOM 148 CA HIS A 12 14.419 12.325 -0.265 1.00 10.10 C ATOM 149 C HIS A 12 15.884 12.160 -0.657 1.00 3.24 C ATOM 150 O HIS A 12 16.674 11.582 0.088 1.00 22.51 O ATOM 151 CB HIS A 12 13.976 11.148 0.604 1.00 13.14 C ATOM 152 CG HIS A 12 13.448 9.988 -0.182 1.00 72.10 C ATOM 153 ND1 HIS A 12 12.363 9.238 0.219 1.00 15.04 N ATOM 154 CD2 HIS A 12 13.861 9.451 -1.354 1.00 4.22 C ATOM 155 CE1 HIS A 12 12.132 8.289 -0.670 1.00 44.14 C ATOM 156 NE2 HIS A 12 13.028 8.397 -1.635 1.00 72.14 N ATOM 0 H HIS A 12 14.068 12.308 -2.333 1.00 2.11 H new ATOM 0 HA HIS A 12 14.316 13.248 0.306 1.00 10.10 H new ATOM 0 HB2 HIS A 12 14.821 10.814 1.206 1.00 13.14 H new ATOM 0 HB3 HIS A 12 13.206 11.488 1.296 1.00 13.14 H new ATOM 0 HD2 HIS A 12 14.692 9.789 -1.956 1.00 4.22 H new ATOM 0 HE1 HIS A 12 11.345 7.551 -0.617 1.00 44.14 H new ATOM 0 HE2 HIS A 12 13.091 7.795 -2.456 1.00 72.14 H new ATOM 164 N ASN A 13 16.239 12.672 -1.831 1.00 3.24 N ATOM 165 CA ASN A 13 17.609 12.580 -2.322 1.00 5.24 C ATOM 166 C ASN A 13 17.773 13.355 -3.626 1.00 21.12 C ATOM 167 O ASN A 13 18.634 13.036 -4.447 1.00 14.13 O ATOM 168 CB ASN A 13 18.001 11.116 -2.533 1.00 15.15 C ATOM 169 CG ASN A 13 17.857 10.682 -3.978 1.00 74.34 C ATOM 170 OD1 ASN A 13 18.844 10.565 -4.704 1.00 70.13 O ATOM 171 ND2 ASN A 13 16.622 10.440 -4.403 1.00 52.53 N ATOM 0 H ASN A 13 15.597 13.155 -2.460 1.00 3.24 H new ATOM 0 HA ASN A 13 18.267 13.021 -1.573 1.00 5.24 H new ATOM 0 HB2 ASN A 13 19.033 10.969 -2.213 1.00 15.15 H new ATOM 0 HB3 ASN A 13 17.379 10.481 -1.902 1.00 15.15 H new ATOM 0 HD21 ASN A 13 16.463 10.144 -5.366 1.00 52.53 H new ATOM 0 HD22 ASN A 13 15.833 10.550 -3.766 1.00 52.53 H new ATOM 178 N LYS A 14 16.942 14.375 -3.810 1.00 33.21 N ATOM 179 CA LYS A 14 16.994 15.198 -5.013 1.00 31.44 C ATOM 180 C LYS A 14 16.589 14.391 -6.242 1.00 32.51 C ATOM 181 O LYS A 14 15.547 14.644 -6.847 1.00 32.23 O ATOM 182 CB LYS A 14 18.401 15.768 -5.205 1.00 21.34 C ATOM 183 CG LYS A 14 18.647 16.323 -6.597 1.00 4.34 C ATOM 184 CD LYS A 14 19.524 17.564 -6.555 1.00 14.02 C ATOM 185 CE LYS A 14 18.737 18.787 -6.107 1.00 64.22 C ATOM 186 NZ LYS A 14 19.634 19.906 -5.706 1.00 12.20 N ATOM 0 H LYS A 14 16.224 14.652 -3.141 1.00 33.21 H new ATOM 0 HA LYS A 14 16.289 16.020 -4.891 1.00 31.44 H new ATOM 0 HB2 LYS A 14 18.567 16.559 -4.473 1.00 21.34 H new ATOM 0 HB3 LYS A 14 19.132 14.986 -5.000 1.00 21.34 H new ATOM 0 HG2 LYS A 14 19.122 15.561 -7.215 1.00 4.34 H new ATOM 0 HG3 LYS A 14 17.694 16.566 -7.067 1.00 4.34 H new ATOM 0 HD2 LYS A 14 20.359 17.398 -5.875 1.00 14.02 H new ATOM 0 HD3 LYS A 14 19.948 17.745 -7.543 1.00 14.02 H new ATOM 0 HE2 LYS A 14 18.085 19.116 -6.916 1.00 64.22 H new ATOM 0 HE3 LYS A 14 18.094 18.518 -5.269 1.00 64.22 H new ATOM 0 HZ1 LYS A 14 19.221 20.408 -4.894 1.00 12.20 H new ATOM 0 HZ2 LYS A 14 20.565 19.527 -5.441 1.00 12.20 H new ATOM 0 HZ3 LYS A 14 19.743 20.566 -6.502 1.00 12.20 H new ATOM 200 N ASP A 15 17.418 13.418 -6.605 1.00 12.10 N ATOM 201 CA ASP A 15 17.144 12.572 -7.761 1.00 3.02 C ATOM 202 C ASP A 15 15.644 12.474 -8.020 1.00 21.03 C ATOM 203 O ASP A 15 15.196 12.553 -9.163 1.00 30.20 O ATOM 204 CB ASP A 15 17.730 11.175 -7.547 1.00 51.33 C ATOM 205 CG ASP A 15 18.394 10.629 -8.796 1.00 3.12 C ATOM 206 OD1 ASP A 15 19.194 11.364 -9.412 1.00 11.13 O ATOM 207 OD2 ASP A 15 18.114 9.467 -9.157 1.00 61.24 O ATOM 0 H ASP A 15 18.285 13.196 -6.116 1.00 12.10 H new ATOM 0 HA ASP A 15 17.615 13.026 -8.633 1.00 3.02 H new ATOM 0 HB2 ASP A 15 18.459 11.210 -6.737 1.00 51.33 H new ATOM 0 HB3 ASP A 15 16.937 10.496 -7.234 1.00 51.33 H new ATOM 212 N GLU A 16 14.874 12.301 -6.950 1.00 21.40 N ATOM 213 CA GLU A 16 13.425 12.190 -7.063 1.00 35.11 C ATOM 214 C GLU A 16 12.780 13.569 -7.167 1.00 51.12 C ATOM 215 O GLU A 16 11.888 13.789 -7.986 1.00 54.35 O ATOM 216 CB GLU A 16 12.853 11.437 -5.859 1.00 50.53 C ATOM 217 CG GLU A 16 13.804 10.404 -5.280 1.00 3.23 C ATOM 218 CD GLU A 16 13.188 9.021 -5.205 1.00 60.32 C ATOM 219 OE1 GLU A 16 12.103 8.886 -4.602 1.00 22.50 O ATOM 220 OE2 GLU A 16 13.791 8.073 -5.751 1.00 3.01 O ATOM 0 H GLU A 16 15.229 12.235 -5.996 1.00 21.40 H new ATOM 0 HA GLU A 16 13.199 11.633 -7.972 1.00 35.11 H new ATOM 0 HB2 GLU A 16 12.593 12.156 -5.082 1.00 50.53 H new ATOM 0 HB3 GLU A 16 11.929 10.941 -6.157 1.00 50.53 H new ATOM 0 HG2 GLU A 16 14.706 10.363 -5.891 1.00 3.23 H new ATOM 0 HG3 GLU A 16 14.109 10.716 -4.281 1.00 3.23 H new ATOM 227 N PHE A 17 13.238 14.495 -6.331 1.00 21.41 N ATOM 228 CA PHE A 17 12.706 15.852 -6.327 1.00 51.30 C ATOM 229 C PHE A 17 12.723 16.447 -7.732 1.00 42.21 C ATOM 230 O PHE A 17 11.825 17.199 -8.111 1.00 34.33 O ATOM 231 CB PHE A 17 13.515 16.737 -5.376 1.00 51.13 C ATOM 232 CG PHE A 17 14.117 17.941 -6.044 1.00 34.32 C ATOM 233 CD1 PHE A 17 15.150 17.799 -6.956 1.00 54.32 C ATOM 234 CD2 PHE A 17 13.649 19.214 -5.758 1.00 64.52 C ATOM 235 CE1 PHE A 17 15.705 18.905 -7.572 1.00 64.35 C ATOM 236 CE2 PHE A 17 14.201 20.322 -6.372 1.00 11.54 C ATOM 237 CZ PHE A 17 15.231 20.168 -7.279 1.00 11.01 C ATOM 0 H PHE A 17 13.977 14.330 -5.647 1.00 21.41 H new ATOM 0 HA PHE A 17 11.673 15.810 -5.982 1.00 51.30 H new ATOM 0 HB2 PHE A 17 12.869 17.068 -4.562 1.00 51.13 H new ATOM 0 HB3 PHE A 17 14.312 16.143 -4.929 1.00 51.13 H new ATOM 0 HD1 PHE A 17 15.526 16.813 -7.188 1.00 54.32 H new ATOM 0 HD2 PHE A 17 12.845 19.341 -5.048 1.00 64.52 H new ATOM 0 HE1 PHE A 17 16.509 18.781 -8.282 1.00 64.35 H new ATOM 0 HE2 PHE A 17 13.827 21.309 -6.143 1.00 11.54 H new ATOM 0 HZ PHE A 17 15.665 21.034 -7.758 1.00 11.01 H new ATOM 247 N ASP A 18 13.752 16.106 -8.500 1.00 22.22 N ATOM 248 CA ASP A 18 13.888 16.605 -9.863 1.00 74.03 C ATOM 249 C ASP A 18 12.823 15.999 -10.772 1.00 71.31 C ATOM 250 O ASP A 18 12.191 16.702 -11.559 1.00 52.43 O ATOM 251 CB ASP A 18 15.281 16.289 -10.409 1.00 3.44 C ATOM 252 CG ASP A 18 16.135 17.532 -10.571 1.00 34.05 C ATOM 253 OD1 ASP A 18 15.562 18.622 -10.778 1.00 73.35 O ATOM 254 OD2 ASP A 18 17.376 17.415 -10.490 1.00 75.42 O ATOM 0 H ASP A 18 14.505 15.486 -8.201 1.00 22.22 H new ATOM 0 HA ASP A 18 13.751 17.686 -9.843 1.00 74.03 H new ATOM 0 HB2 ASP A 18 15.782 15.592 -9.737 1.00 3.44 H new ATOM 0 HB3 ASP A 18 15.186 15.789 -11.373 1.00 3.44 H new ATOM 259 N ALA A 19 12.631 14.689 -10.658 1.00 60.51 N ATOM 260 CA ALA A 19 11.643 13.988 -11.469 1.00 33.25 C ATOM 261 C ALA A 19 10.351 14.791 -11.575 1.00 50.23 C ATOM 262 O ALA A 19 9.578 14.617 -12.516 1.00 75.44 O ATOM 263 CB ALA A 19 11.363 12.610 -10.886 1.00 2.41 C ATOM 0 H ALA A 19 13.147 14.092 -10.012 1.00 60.51 H new ATOM 0 HA ALA A 19 12.051 13.870 -12.473 1.00 33.25 H new ATOM 0 HB1 ALA A 19 10.624 12.098 -11.502 1.00 2.41 H new ATOM 0 HB2 ALA A 19 12.285 12.029 -10.867 1.00 2.41 H new ATOM 0 HB3 ALA A 19 10.980 12.715 -9.871 1.00 2.41 H new ATOM 269 N GLN A 20 10.125 15.671 -10.605 1.00 35.53 N ATOM 270 CA GLN A 20 8.925 16.499 -10.590 1.00 50.40 C ATOM 271 C GLN A 20 9.249 17.933 -10.999 1.00 33.35 C ATOM 272 O GLN A 20 8.601 18.499 -11.878 1.00 74.23 O ATOM 273 CB GLN A 20 8.286 16.484 -9.200 1.00 41.53 C ATOM 274 CG GLN A 20 7.198 15.435 -9.042 1.00 53.02 C ATOM 275 CD GLN A 20 7.458 14.194 -9.873 1.00 44.11 C ATOM 276 OE1 GLN A 20 6.943 14.056 -10.983 1.00 15.24 O ATOM 277 NE2 GLN A 20 8.263 13.282 -9.340 1.00 1.43 N ATOM 0 H GLN A 20 10.757 15.829 -9.820 1.00 35.53 H new ATOM 0 HA GLN A 20 8.219 16.085 -11.310 1.00 50.40 H new ATOM 0 HB2 GLN A 20 9.061 16.306 -8.455 1.00 41.53 H new ATOM 0 HB3 GLN A 20 7.864 17.467 -8.993 1.00 41.53 H new ATOM 0 HG2 GLN A 20 7.119 15.154 -7.992 1.00 53.02 H new ATOM 0 HG3 GLN A 20 6.239 15.866 -9.330 1.00 53.02 H new ATOM 0 HE21 GLN A 20 8.669 13.437 -8.417 1.00 1.43 H new ATOM 0 HE22 GLN A 20 8.476 12.427 -9.854 1.00 1.43 H new ATOM 286 N MET A 21 10.255 18.514 -10.353 1.00 72.33 N ATOM 287 CA MET A 21 10.665 19.881 -10.651 1.00 13.33 C ATOM 288 C MET A 21 10.836 20.083 -12.153 1.00 25.21 C ATOM 289 O MET A 21 10.619 21.178 -12.672 1.00 50.22 O ATOM 290 CB MET A 21 11.971 20.214 -9.927 1.00 71.20 C ATOM 291 CG MET A 21 11.840 21.353 -8.929 1.00 32.20 C ATOM 292 SD MET A 21 11.386 20.782 -7.280 1.00 12.42 S ATOM 293 CE MET A 21 9.739 20.148 -7.583 1.00 34.34 C ATOM 0 H MET A 21 10.801 18.060 -9.621 1.00 72.33 H new ATOM 0 HA MET A 21 9.882 20.553 -10.300 1.00 13.33 H new ATOM 0 HB2 MET A 21 12.325 19.324 -9.406 1.00 71.20 H new ATOM 0 HB3 MET A 21 12.730 20.474 -10.665 1.00 71.20 H new ATOM 0 HG2 MET A 21 12.785 21.894 -8.875 1.00 32.20 H new ATOM 0 HG3 MET A 21 11.089 22.058 -9.285 1.00 32.20 H new ATOM 0 HE1 MET A 21 9.152 20.206 -6.666 1.00 34.34 H new ATOM 0 HE2 MET A 21 9.258 20.742 -8.360 1.00 34.34 H new ATOM 0 HE3 MET A 21 9.803 19.109 -7.907 1.00 34.34 H new ATOM 303 N THR A 22 11.229 19.019 -12.847 1.00 53.14 N ATOM 304 CA THR A 22 11.431 19.080 -14.289 1.00 61.14 C ATOM 305 C THR A 22 10.164 18.685 -15.040 1.00 23.44 C ATOM 306 O THR A 22 10.000 19.009 -16.216 1.00 30.31 O ATOM 307 CB THR A 22 12.585 18.162 -14.734 1.00 21.51 C ATOM 308 OG1 THR A 22 13.776 18.931 -14.930 1.00 4.54 O ATOM 309 CG2 THR A 22 12.230 17.431 -16.020 1.00 64.12 C ATOM 0 H THR A 22 11.414 18.105 -12.433 1.00 53.14 H new ATOM 0 HA THR A 22 11.685 20.113 -14.529 1.00 61.14 H new ATOM 0 HB THR A 22 12.755 17.424 -13.950 1.00 21.51 H new ATOM 0 HG1 THR A 22 14.505 18.339 -15.211 1.00 4.54 H new ATOM 0 HG21 THR A 22 13.060 16.789 -16.315 1.00 64.12 H new ATOM 0 HG22 THR A 22 11.340 16.823 -15.859 1.00 64.12 H new ATOM 0 HG23 THR A 22 12.035 18.157 -16.809 1.00 64.12 H new ATOM 317 N LYS A 23 9.270 17.983 -14.352 1.00 32.20 N ATOM 318 CA LYS A 23 8.015 17.544 -14.952 1.00 44.21 C ATOM 319 C LYS A 23 6.974 18.657 -14.910 1.00 15.42 C ATOM 320 O LYS A 23 5.772 18.397 -14.953 1.00 15.30 O ATOM 321 CB LYS A 23 7.484 16.306 -14.226 1.00 2.20 C ATOM 322 CG LYS A 23 7.642 15.021 -15.020 1.00 54.00 C ATOM 323 CD LYS A 23 7.480 13.796 -14.136 1.00 23.12 C ATOM 324 CE LYS A 23 8.572 12.770 -14.400 1.00 74.04 C ATOM 325 NZ LYS A 23 8.008 11.422 -14.689 1.00 12.14 N ATOM 0 H LYS A 23 9.391 17.706 -13.378 1.00 32.20 H new ATOM 0 HA LYS A 23 8.208 17.291 -15.994 1.00 44.21 H new ATOM 0 HB2 LYS A 23 8.005 16.202 -13.274 1.00 2.20 H new ATOM 0 HB3 LYS A 23 6.429 16.454 -13.997 1.00 2.20 H new ATOM 0 HG2 LYS A 23 6.903 14.994 -15.820 1.00 54.00 H new ATOM 0 HG3 LYS A 23 8.624 15.003 -15.492 1.00 54.00 H new ATOM 0 HD2 LYS A 23 7.507 14.096 -13.088 1.00 23.12 H new ATOM 0 HD3 LYS A 23 6.504 13.344 -14.314 1.00 23.12 H new ATOM 0 HE2 LYS A 23 9.182 13.097 -15.242 1.00 74.04 H new ATOM 0 HE3 LYS A 23 9.231 12.710 -13.534 1.00 74.04 H new ATOM 0 HZ1 LYS A 23 8.783 10.751 -14.863 1.00 12.14 H new ATOM 0 HZ2 LYS A 23 7.447 11.099 -13.875 1.00 12.14 H new ATOM 0 HZ3 LYS A 23 7.399 11.474 -15.531 1.00 12.14 H new ATOM 339 N ALA A 24 7.443 19.898 -14.827 1.00 12.05 N ATOM 340 CA ALA A 24 6.551 21.051 -14.782 1.00 65.52 C ATOM 341 C ALA A 24 6.866 22.031 -15.907 1.00 1.44 C ATOM 342 O ALA A 24 5.977 22.444 -16.652 1.00 0.03 O ATOM 343 CB ALA A 24 6.652 21.743 -13.431 1.00 54.54 C ATOM 0 H ALA A 24 8.435 20.131 -14.790 1.00 12.05 H new ATOM 0 HA ALA A 24 5.530 20.696 -14.920 1.00 65.52 H new ATOM 0 HB1 ALA A 24 5.981 22.602 -13.411 1.00 54.54 H new ATOM 0 HB2 ALA A 24 6.371 21.045 -12.643 1.00 54.54 H new ATOM 0 HB3 ALA A 24 7.676 22.079 -13.270 1.00 54.54 H new ATOM 349 N LYS A 25 8.137 22.402 -16.024 1.00 14.22 N ATOM 350 CA LYS A 25 8.570 23.335 -17.058 1.00 31.53 C ATOM 351 C LYS A 25 8.267 22.784 -18.448 1.00 3.52 C ATOM 352 O LYS A 25 7.666 23.466 -19.277 1.00 41.30 O ATOM 353 CB LYS A 25 10.068 23.616 -16.924 1.00 41.20 C ATOM 354 CG LYS A 25 10.915 22.361 -16.806 1.00 71.33 C ATOM 355 CD LYS A 25 12.089 22.566 -15.863 1.00 55.04 C ATOM 356 CE LYS A 25 11.626 23.025 -14.489 1.00 33.40 C ATOM 357 NZ LYS A 25 12.545 22.564 -13.412 1.00 0.12 N ATOM 0 H LYS A 25 8.885 22.071 -15.415 1.00 14.22 H new ATOM 0 HA LYS A 25 8.019 24.266 -16.927 1.00 31.53 H new ATOM 0 HB2 LYS A 25 10.400 24.188 -17.790 1.00 41.20 H new ATOM 0 HB3 LYS A 25 10.235 24.240 -16.046 1.00 41.20 H new ATOM 0 HG2 LYS A 25 10.298 21.537 -16.447 1.00 71.33 H new ATOM 0 HG3 LYS A 25 11.284 22.076 -17.791 1.00 71.33 H new ATOM 0 HD2 LYS A 25 12.648 21.635 -15.768 1.00 55.04 H new ATOM 0 HD3 LYS A 25 12.771 23.305 -16.284 1.00 55.04 H new ATOM 0 HE2 LYS A 25 11.563 24.113 -14.472 1.00 33.40 H new ATOM 0 HE3 LYS A 25 10.623 22.644 -14.298 1.00 33.40 H new ATOM 0 HZ1 LYS A 25 11.988 22.218 -12.605 1.00 0.12 H new ATOM 0 HZ2 LYS A 25 13.145 21.795 -13.773 1.00 0.12 H new ATOM 0 HZ3 LYS A 25 13.145 23.356 -13.105 1.00 0.12 H new ATOM 371 N GLU A 26 8.687 21.547 -18.694 1.00 51.31 N ATOM 372 CA GLU A 26 8.459 20.907 -19.984 1.00 63.22 C ATOM 373 C GLU A 26 6.976 20.613 -20.192 1.00 23.25 C ATOM 374 O GLU A 26 6.427 20.864 -21.264 1.00 12.25 O ATOM 375 CB GLU A 26 9.266 19.611 -20.085 1.00 24.23 C ATOM 376 CG GLU A 26 9.463 18.911 -18.750 1.00 42.32 C ATOM 377 CD GLU A 26 9.416 17.401 -18.871 1.00 21.51 C ATOM 378 OE1 GLU A 26 8.710 16.898 -19.770 1.00 43.32 O ATOM 379 OE2 GLU A 26 10.086 16.721 -18.065 1.00 70.44 O ATOM 0 H GLU A 26 9.186 20.969 -18.018 1.00 51.31 H new ATOM 0 HA GLU A 26 8.788 21.594 -20.764 1.00 63.22 H new ATOM 0 HB2 GLU A 26 8.761 18.931 -20.771 1.00 24.23 H new ATOM 0 HB3 GLU A 26 10.242 19.833 -20.517 1.00 24.23 H new ATOM 0 HG2 GLU A 26 10.422 19.208 -18.326 1.00 42.32 H new ATOM 0 HG3 GLU A 26 8.691 19.240 -18.054 1.00 42.32 H new ATOM 386 N ALA A 27 6.335 20.078 -19.158 1.00 30.04 N ATOM 387 CA ALA A 27 4.916 19.751 -19.225 1.00 62.30 C ATOM 388 C ALA A 27 4.067 21.012 -19.345 1.00 20.43 C ATOM 389 O ALA A 27 2.961 20.978 -19.883 1.00 44.41 O ATOM 390 CB ALA A 27 4.501 18.947 -18.002 1.00 23.23 C ATOM 0 H ALA A 27 6.776 19.862 -18.264 1.00 30.04 H new ATOM 0 HA ALA A 27 4.750 19.147 -20.117 1.00 62.30 H new ATOM 0 HB1 ALA A 27 3.439 18.710 -18.066 1.00 23.23 H new ATOM 0 HB2 ALA A 27 5.077 18.023 -17.961 1.00 23.23 H new ATOM 0 HB3 ALA A 27 4.689 19.532 -17.101 1.00 23.23 H new ATOM 396 N GLY A 28 4.592 22.123 -18.838 1.00 13.40 N ATOM 397 CA GLY A 28 3.867 23.380 -18.898 1.00 24.44 C ATOM 398 C GLY A 28 2.888 23.539 -17.752 1.00 33.00 C ATOM 399 O GLY A 28 1.818 24.125 -17.917 1.00 13.33 O ATOM 0 H GLY A 28 5.505 22.176 -18.387 1.00 13.40 H new ATOM 0 HA2 GLY A 28 4.577 24.207 -18.883 1.00 24.44 H new ATOM 0 HA3 GLY A 28 3.328 23.440 -19.843 1.00 24.44 H new ATOM 403 N LYS A 29 3.252 23.014 -16.587 1.00 1.52 N ATOM 404 CA LYS A 29 2.398 23.100 -15.408 1.00 41.31 C ATOM 405 C LYS A 29 3.163 23.681 -14.223 1.00 50.52 C ATOM 406 O LYS A 29 4.394 23.689 -14.210 1.00 10.24 O ATOM 407 CB LYS A 29 1.852 21.717 -15.047 1.00 53.21 C ATOM 408 CG LYS A 29 2.828 20.865 -14.255 1.00 2.10 C ATOM 409 CD LYS A 29 2.969 19.476 -14.854 1.00 62.20 C ATOM 410 CE LYS A 29 1.636 18.951 -15.364 1.00 71.21 C ATOM 411 NZ LYS A 29 1.459 17.503 -15.065 1.00 60.33 N ATOM 0 H LYS A 29 4.133 22.524 -16.434 1.00 1.52 H new ATOM 0 HA LYS A 29 1.565 23.764 -15.641 1.00 41.31 H new ATOM 0 HB2 LYS A 29 0.936 21.837 -14.469 1.00 53.21 H new ATOM 0 HB3 LYS A 29 1.584 21.191 -15.963 1.00 53.21 H new ATOM 0 HG2 LYS A 29 3.802 21.353 -14.232 1.00 2.10 H new ATOM 0 HG3 LYS A 29 2.487 20.784 -13.223 1.00 2.10 H new ATOM 0 HD2 LYS A 29 3.688 19.503 -15.673 1.00 62.20 H new ATOM 0 HD3 LYS A 29 3.367 18.793 -14.103 1.00 62.20 H new ATOM 0 HE2 LYS A 29 0.824 19.518 -14.908 1.00 71.21 H new ATOM 0 HE3 LYS A 29 1.571 19.110 -16.440 1.00 71.21 H new ATOM 0 HZ1 LYS A 29 0.539 17.183 -15.429 1.00 60.33 H new ATOM 0 HZ2 LYS A 29 2.219 16.959 -15.521 1.00 60.33 H new ATOM 0 HZ3 LYS A 29 1.496 17.354 -14.036 1.00 60.33 H new ATOM 425 N VAL A 30 2.426 24.166 -13.229 1.00 53.41 N ATOM 426 CA VAL A 30 3.035 24.747 -12.038 1.00 52.14 C ATOM 427 C VAL A 30 3.620 23.666 -11.137 1.00 61.44 C ATOM 428 O VAL A 30 3.268 22.491 -11.250 1.00 3.22 O ATOM 429 CB VAL A 30 2.015 25.575 -11.233 1.00 63.42 C ATOM 430 CG1 VAL A 30 2.090 25.223 -9.755 1.00 61.43 C ATOM 431 CG2 VAL A 30 2.249 27.062 -11.448 1.00 10.31 C ATOM 0 H VAL A 30 1.406 24.168 -13.225 1.00 53.41 H new ATOM 0 HA VAL A 30 3.835 25.403 -12.380 1.00 52.14 H new ATOM 0 HB VAL A 30 1.014 25.333 -11.589 1.00 63.42 H new ATOM 0 HG11 VAL A 30 1.363 25.817 -9.202 1.00 61.43 H new ATOM 0 HG12 VAL A 30 1.870 24.164 -9.622 1.00 61.43 H new ATOM 0 HG13 VAL A 30 3.092 25.435 -9.381 1.00 61.43 H new ATOM 0 HG21 VAL A 30 1.520 27.632 -10.872 1.00 10.31 H new ATOM 0 HG22 VAL A 30 3.255 27.323 -11.120 1.00 10.31 H new ATOM 0 HG23 VAL A 30 2.140 27.298 -12.507 1.00 10.31 H new ATOM 441 N VAL A 31 4.516 24.070 -10.242 1.00 73.30 N ATOM 442 CA VAL A 31 5.150 23.135 -9.319 1.00 55.44 C ATOM 443 C VAL A 31 4.788 23.460 -7.874 1.00 73.53 C ATOM 444 O VAL A 31 4.546 24.617 -7.529 1.00 21.40 O ATOM 445 CB VAL A 31 6.682 23.151 -9.469 1.00 44.42 C ATOM 446 CG1 VAL A 31 7.337 22.355 -8.350 1.00 52.54 C ATOM 447 CG2 VAL A 31 7.090 22.608 -10.830 1.00 71.23 C ATOM 0 H VAL A 31 4.819 25.038 -10.136 1.00 73.30 H new ATOM 0 HA VAL A 31 4.779 22.141 -9.569 1.00 55.44 H new ATOM 0 HB VAL A 31 7.026 24.183 -9.397 1.00 44.42 H new ATOM 0 HG11 VAL A 31 8.420 22.378 -8.473 1.00 52.54 H new ATOM 0 HG12 VAL A 31 7.072 22.794 -7.388 1.00 52.54 H new ATOM 0 HG13 VAL A 31 6.989 21.323 -8.386 1.00 52.54 H new ATOM 0 HG21 VAL A 31 8.176 22.627 -10.918 1.00 71.23 H new ATOM 0 HG22 VAL A 31 6.735 21.583 -10.934 1.00 71.23 H new ATOM 0 HG23 VAL A 31 6.651 23.225 -11.614 1.00 71.23 H new ATOM 457 N ILE A 32 4.753 22.431 -7.034 1.00 73.10 N ATOM 458 CA ILE A 32 4.422 22.607 -5.625 1.00 70.34 C ATOM 459 C ILE A 32 5.242 21.668 -4.747 1.00 33.31 C ATOM 460 O ILE A 32 4.867 20.514 -4.537 1.00 25.52 O ATOM 461 CB ILE A 32 2.924 22.360 -5.364 1.00 25.14 C ATOM 462 CG1 ILE A 32 2.073 23.187 -6.329 1.00 34.03 C ATOM 463 CG2 ILE A 32 2.577 22.695 -3.921 1.00 13.10 C ATOM 464 CD1 ILE A 32 1.668 22.433 -7.576 1.00 62.20 C ATOM 0 H ILE A 32 4.950 21.467 -7.304 1.00 73.10 H new ATOM 0 HA ILE A 32 4.661 23.640 -5.370 1.00 70.34 H new ATOM 0 HB ILE A 32 2.709 21.305 -5.534 1.00 25.14 H new ATOM 0 HG12 ILE A 32 1.175 23.525 -5.811 1.00 34.03 H new ATOM 0 HG13 ILE A 32 2.629 24.079 -6.618 1.00 34.03 H new ATOM 0 HG21 ILE A 32 1.515 22.516 -3.751 1.00 13.10 H new ATOM 0 HG22 ILE A 32 3.163 22.066 -3.251 1.00 13.10 H new ATOM 0 HG23 ILE A 32 2.804 23.743 -3.726 1.00 13.10 H new ATOM 0 HD11 ILE A 32 1.067 23.081 -8.214 1.00 62.20 H new ATOM 0 HD12 ILE A 32 2.560 22.118 -8.117 1.00 62.20 H new ATOM 0 HD13 ILE A 32 1.084 21.556 -7.297 1.00 62.20 H new ATOM 476 N ILE A 33 6.360 22.171 -4.235 1.00 71.21 N ATOM 477 CA ILE A 33 7.231 21.378 -3.377 1.00 32.34 C ATOM 478 C ILE A 33 6.927 21.629 -1.903 1.00 64.24 C ATOM 479 O ILE A 33 6.909 22.773 -1.449 1.00 23.21 O ATOM 480 CB ILE A 33 8.716 21.686 -3.643 1.00 21.11 C ATOM 481 CG1 ILE A 33 8.914 22.136 -5.092 1.00 3.13 C ATOM 482 CG2 ILE A 33 9.573 20.466 -3.340 1.00 32.22 C ATOM 483 CD1 ILE A 33 8.847 23.636 -5.273 1.00 14.41 C ATOM 0 H ILE A 33 6.684 23.124 -4.400 1.00 71.21 H new ATOM 0 HA ILE A 33 7.038 20.331 -3.613 1.00 32.34 H new ATOM 0 HB ILE A 33 9.027 22.497 -2.984 1.00 21.11 H new ATOM 0 HG12 ILE A 33 9.881 21.778 -5.446 1.00 3.13 H new ATOM 0 HG13 ILE A 33 8.153 21.668 -5.716 1.00 3.13 H new ATOM 0 HG21 ILE A 33 10.620 20.700 -3.533 1.00 32.22 H new ATOM 0 HG22 ILE A 33 9.451 20.186 -2.294 1.00 32.22 H new ATOM 0 HG23 ILE A 33 9.263 19.637 -3.976 1.00 32.22 H new ATOM 0 HD11 ILE A 33 8.996 23.883 -6.324 1.00 14.41 H new ATOM 0 HD12 ILE A 33 7.871 23.998 -4.950 1.00 14.41 H new ATOM 0 HD13 ILE A 33 9.626 24.110 -4.675 1.00 14.41 H new ATOM 495 N ASP A 34 6.691 20.552 -1.162 1.00 42.10 N ATOM 496 CA ASP A 34 6.391 20.655 0.261 1.00 24.34 C ATOM 497 C ASP A 34 7.624 20.332 1.101 1.00 75.10 C ATOM 498 O ASP A 34 7.892 19.170 1.407 1.00 12.04 O ATOM 499 CB ASP A 34 5.245 19.712 0.632 1.00 2.32 C ATOM 500 CG ASP A 34 5.380 19.162 2.038 1.00 13.25 C ATOM 501 OD1 ASP A 34 5.846 19.908 2.925 1.00 24.34 O ATOM 502 OD2 ASP A 34 5.018 17.987 2.252 1.00 35.44 O ATOM 0 H ASP A 34 6.702 19.598 -1.523 1.00 42.10 H new ATOM 0 HA ASP A 34 6.089 21.681 0.470 1.00 24.34 H new ATOM 0 HB2 ASP A 34 4.298 20.243 0.542 1.00 2.32 H new ATOM 0 HB3 ASP A 34 5.215 18.885 -0.077 1.00 2.32 H new ATOM 507 N PHE A 35 8.370 21.368 1.469 1.00 23.30 N ATOM 508 CA PHE A 35 9.576 21.194 2.271 1.00 14.44 C ATOM 509 C PHE A 35 9.234 20.646 3.654 1.00 64.01 C ATOM 510 O PHE A 35 8.113 20.199 3.899 1.00 63.14 O ATOM 511 CB PHE A 35 10.319 22.525 2.407 1.00 21.23 C ATOM 512 CG PHE A 35 11.160 22.866 1.211 1.00 45.22 C ATOM 513 CD1 PHE A 35 12.256 22.088 0.873 1.00 2.12 C ATOM 514 CD2 PHE A 35 10.856 23.965 0.423 1.00 35.35 C ATOM 515 CE1 PHE A 35 13.032 22.401 -0.227 1.00 25.43 C ATOM 516 CE2 PHE A 35 11.628 24.282 -0.678 1.00 30.10 C ATOM 517 CZ PHE A 35 12.717 23.498 -1.004 1.00 3.00 C ATOM 0 H PHE A 35 8.161 22.336 1.225 1.00 23.30 H new ATOM 0 HA PHE A 35 10.220 20.476 1.764 1.00 14.44 H new ATOM 0 HB2 PHE A 35 9.594 23.322 2.570 1.00 21.23 H new ATOM 0 HB3 PHE A 35 10.956 22.488 3.291 1.00 21.23 H new ATOM 0 HD1 PHE A 35 12.506 21.228 1.476 1.00 2.12 H new ATOM 0 HD2 PHE A 35 10.005 24.581 0.673 1.00 35.35 H new ATOM 0 HE1 PHE A 35 13.885 21.788 -0.479 1.00 25.43 H new ATOM 0 HE2 PHE A 35 11.380 25.142 -1.283 1.00 30.10 H new ATOM 0 HZ PHE A 35 13.321 23.742 -1.865 1.00 3.00 H new ATOM 527 N THR A 36 10.210 20.683 4.556 1.00 23.10 N ATOM 528 CA THR A 36 10.016 20.189 5.913 1.00 34.22 C ATOM 529 C THR A 36 11.351 19.948 6.608 1.00 61.15 C ATOM 530 O THR A 36 12.297 19.451 5.998 1.00 64.50 O ATOM 531 CB THR A 36 9.201 18.881 5.924 1.00 43.34 C ATOM 532 OG1 THR A 36 9.399 18.191 7.162 1.00 22.33 O ATOM 533 CG2 THR A 36 9.607 17.982 4.765 1.00 14.24 C ATOM 0 H THR A 36 11.143 21.050 4.371 1.00 23.10 H new ATOM 0 HA THR A 36 9.463 20.958 6.452 1.00 34.22 H new ATOM 0 HB THR A 36 8.146 19.134 5.815 1.00 43.34 H new ATOM 0 HG1 THR A 36 8.877 17.362 7.162 1.00 22.33 H new ATOM 0 HG21 THR A 36 9.019 17.065 4.793 1.00 14.24 H new ATOM 0 HG22 THR A 36 9.428 18.500 3.823 1.00 14.24 H new ATOM 0 HG23 THR A 36 10.666 17.737 4.848 1.00 14.24 H new ATOM 541 N ALA A 37 11.421 20.303 7.886 1.00 15.13 N ATOM 542 CA ALA A 37 12.640 20.123 8.664 1.00 31.41 C ATOM 543 C ALA A 37 12.740 18.701 9.206 1.00 31.23 C ATOM 544 O ALA A 37 13.650 17.953 8.849 1.00 32.32 O ATOM 545 CB ALA A 37 12.693 21.129 9.804 1.00 53.10 C ATOM 0 H ALA A 37 10.647 20.717 8.405 1.00 15.13 H new ATOM 0 HA ALA A 37 13.491 20.294 8.004 1.00 31.41 H new ATOM 0 HB1 ALA A 37 13.609 20.982 10.376 1.00 53.10 H new ATOM 0 HB2 ALA A 37 12.677 22.140 9.398 1.00 53.10 H new ATOM 0 HB3 ALA A 37 11.831 20.986 10.456 1.00 53.10 H new ATOM 551 N SER A 38 11.799 18.335 10.071 1.00 62.40 N ATOM 552 CA SER A 38 11.784 17.003 10.666 1.00 3.41 C ATOM 553 C SER A 38 10.713 16.904 11.748 1.00 61.11 C ATOM 554 O SER A 38 10.070 15.866 11.906 1.00 53.42 O ATOM 555 CB SER A 38 13.155 16.671 11.258 1.00 63.11 C ATOM 556 OG SER A 38 13.840 15.723 10.457 1.00 2.31 O ATOM 0 H SER A 38 11.038 18.942 10.375 1.00 62.40 H new ATOM 0 HA SER A 38 11.551 16.283 9.881 1.00 3.41 H new ATOM 0 HB2 SER A 38 13.750 17.581 11.339 1.00 63.11 H new ATOM 0 HB3 SER A 38 13.033 16.279 12.268 1.00 63.11 H new ATOM 0 HG SER A 38 14.044 16.119 9.584 1.00 2.31 H new ATOM 562 N TRP A 39 10.528 17.990 12.490 1.00 62.14 N ATOM 563 CA TRP A 39 9.535 18.026 13.557 1.00 21.13 C ATOM 564 C TRP A 39 8.325 18.857 13.147 1.00 54.21 C ATOM 565 O TRP A 39 7.183 18.415 13.280 1.00 52.13 O ATOM 566 CB TRP A 39 10.151 18.596 14.836 1.00 42.32 C ATOM 567 CG TRP A 39 10.319 20.085 14.801 1.00 3.22 C ATOM 568 CD1 TRP A 39 9.417 21.022 15.219 1.00 25.34 C ATOM 569 CD2 TRP A 39 11.458 20.808 14.321 1.00 52.23 C ATOM 570 NE1 TRP A 39 9.927 22.283 15.028 1.00 51.42 N ATOM 571 CE2 TRP A 39 11.177 22.180 14.479 1.00 65.44 C ATOM 572 CE3 TRP A 39 12.687 20.431 13.775 1.00 65.24 C ATOM 573 CZ2 TRP A 39 12.082 23.171 14.108 1.00 11.44 C ATOM 574 CZ3 TRP A 39 13.584 21.416 13.407 1.00 12.34 C ATOM 575 CH2 TRP A 39 13.278 22.773 13.576 1.00 0.32 C ATOM 0 H TRP A 39 11.052 18.857 12.372 1.00 62.14 H new ATOM 0 HA TRP A 39 9.204 17.005 13.745 1.00 21.13 H new ATOM 0 HB2 TRP A 39 9.522 18.328 15.685 1.00 42.32 H new ATOM 0 HB3 TRP A 39 11.123 18.131 15.001 1.00 42.32 H new ATOM 0 HD1 TRP A 39 8.446 20.803 15.638 1.00 25.34 H new ATOM 0 HE1 TRP A 39 9.451 23.155 15.258 1.00 51.42 H new ATOM 0 HE3 TRP A 39 12.932 19.388 13.643 1.00 65.24 H new ATOM 0 HZ2 TRP A 39 11.848 24.218 14.236 1.00 11.44 H new ATOM 0 HZ3 TRP A 39 14.536 21.135 12.982 1.00 12.34 H new ATOM 0 HH2 TRP A 39 14.000 23.519 13.280 1.00 0.32 H new ATOM 586 N CYS A 40 8.581 20.061 12.648 1.00 10.43 N ATOM 587 CA CYS A 40 7.511 20.955 12.219 1.00 71.21 C ATOM 588 C CYS A 40 6.756 20.367 11.031 1.00 35.14 C ATOM 589 O CYS A 40 7.245 20.381 9.903 1.00 72.12 O ATOM 590 CB CYS A 40 8.080 22.325 11.849 1.00 41.20 C ATOM 591 SG CYS A 40 6.849 23.649 11.809 1.00 44.34 S ATOM 0 H CYS A 40 9.520 20.441 12.530 1.00 10.43 H new ATOM 0 HA CYS A 40 6.814 21.072 13.049 1.00 71.21 H new ATOM 0 HB2 CYS A 40 8.858 22.589 12.565 1.00 41.20 H new ATOM 0 HB3 CYS A 40 8.556 22.257 10.871 1.00 41.20 H new ATOM 0 HG CYS A 40 7.426 24.769 11.489 1.00 44.34 H new ATOM 597 N GLY A 41 5.560 19.849 11.295 1.00 74.30 N ATOM 598 CA GLY A 41 4.757 19.261 10.239 1.00 54.24 C ATOM 599 C GLY A 41 3.848 18.159 10.746 1.00 63.23 C ATOM 600 O GLY A 41 4.299 17.175 11.332 1.00 32.44 O ATOM 0 H GLY A 41 5.133 19.826 12.221 1.00 74.30 H new ATOM 0 HA2 GLY A 41 4.154 20.038 9.770 1.00 54.24 H new ATOM 0 HA3 GLY A 41 5.414 18.859 9.468 1.00 54.24 H new ATOM 604 N PRO A 42 2.536 18.318 10.521 1.00 55.00 N ATOM 605 CA PRO A 42 1.534 17.338 10.952 1.00 10.45 C ATOM 606 C PRO A 42 1.612 16.040 10.157 1.00 45.13 C ATOM 607 O PRO A 42 1.671 14.952 10.730 1.00 31.15 O ATOM 608 CB PRO A 42 0.205 18.049 10.686 1.00 12.32 C ATOM 609 CG PRO A 42 0.508 19.026 9.603 1.00 71.12 C ATOM 610 CD PRO A 42 1.928 19.466 9.828 1.00 50.43 C ATOM 0 HA PRO A 42 1.675 17.042 11.992 1.00 10.45 H new ATOM 0 HB2 PRO A 42 -0.567 17.343 10.378 1.00 12.32 H new ATOM 0 HB3 PRO A 42 -0.161 18.551 11.581 1.00 12.32 H new ATOM 0 HG2 PRO A 42 0.392 18.568 8.621 1.00 71.12 H new ATOM 0 HG3 PRO A 42 -0.174 19.875 9.641 1.00 71.12 H new ATOM 0 HD2 PRO A 42 2.435 19.682 8.888 1.00 50.43 H new ATOM 0 HD3 PRO A 42 1.977 20.372 10.432 1.00 50.43 H new ATOM 618 N CYS A 43 1.614 16.162 8.834 1.00 71.31 N ATOM 619 CA CYS A 43 1.685 14.997 7.959 1.00 21.21 C ATOM 620 C CYS A 43 0.639 13.958 8.350 1.00 11.25 C ATOM 621 O CYS A 43 0.761 12.781 8.012 1.00 64.04 O ATOM 622 CB CYS A 43 3.082 14.377 8.013 1.00 21.24 C ATOM 623 SG CYS A 43 3.523 13.421 6.543 1.00 22.13 S ATOM 0 H CYS A 43 1.567 17.055 8.344 1.00 71.31 H new ATOM 0 HA CYS A 43 1.480 15.326 6.940 1.00 21.21 H new ATOM 0 HB2 CYS A 43 3.815 15.172 8.150 1.00 21.24 H new ATOM 0 HB3 CYS A 43 3.147 13.729 8.887 1.00 21.24 H new ATOM 0 HG CYS A 43 4.722 12.939 6.683 1.00 22.13 H new ATOM 629 N ARG A 44 -0.389 14.402 9.067 1.00 25.12 N ATOM 630 CA ARG A 44 -1.455 13.510 9.508 1.00 44.35 C ATOM 631 C ARG A 44 -2.821 14.161 9.315 1.00 35.33 C ATOM 632 O ARG A 44 -3.704 13.596 8.668 1.00 1.25 O ATOM 633 CB ARG A 44 -1.259 13.134 10.977 1.00 32.14 C ATOM 634 CG ARG A 44 -0.363 11.923 11.182 1.00 12.32 C ATOM 635 CD ARG A 44 -0.973 10.939 12.168 1.00 52.11 C ATOM 636 NE ARG A 44 -1.486 9.745 11.502 1.00 34.23 N ATOM 637 CZ ARG A 44 -2.251 8.840 12.103 1.00 55.21 C ATOM 638 NH1 ARG A 44 -2.590 8.994 13.376 1.00 74.55 N ATOM 639 NH2 ARG A 44 -2.680 7.780 11.430 1.00 24.42 N ATOM 0 H ARG A 44 -0.506 15.374 9.355 1.00 25.12 H new ATOM 0 HA ARG A 44 -1.414 12.606 8.901 1.00 44.35 H new ATOM 0 HB2 ARG A 44 -0.832 13.985 11.507 1.00 32.14 H new ATOM 0 HB3 ARG A 44 -2.232 12.935 11.425 1.00 32.14 H new ATOM 0 HG2 ARG A 44 -0.197 11.426 10.226 1.00 12.32 H new ATOM 0 HG3 ARG A 44 0.612 12.248 11.546 1.00 12.32 H new ATOM 0 HD2 ARG A 44 -0.222 10.650 12.903 1.00 52.11 H new ATOM 0 HD3 ARG A 44 -1.782 11.426 12.713 1.00 52.11 H new ATOM 0 HE ARG A 44 -1.244 9.598 10.522 1.00 34.23 H new ATOM 0 HH11 ARG A 44 -2.263 9.809 13.896 1.00 74.55 H new ATOM 0 HH12 ARG A 44 -3.177 8.298 13.835 1.00 74.55 H new ATOM 0 HH21 ARG A 44 -2.423 7.659 10.450 1.00 24.42 H new ATOM 0 HH22 ARG A 44 -3.267 7.086 11.892 1.00 24.42 H new ATOM 653 N PHE A 45 -2.990 15.351 9.882 1.00 65.00 N ATOM 654 CA PHE A 45 -4.249 16.078 9.774 1.00 31.15 C ATOM 655 C PHE A 45 -4.488 16.544 8.341 1.00 24.22 C ATOM 656 O PHE A 45 -5.602 16.453 7.825 1.00 10.53 O ATOM 657 CB PHE A 45 -4.251 17.280 10.721 1.00 42.44 C ATOM 658 CG PHE A 45 -5.422 18.199 10.520 1.00 32.15 C ATOM 659 CD1 PHE A 45 -5.406 19.155 9.518 1.00 13.31 C ATOM 660 CD2 PHE A 45 -6.539 18.106 11.335 1.00 11.33 C ATOM 661 CE1 PHE A 45 -6.483 20.002 9.331 1.00 63.10 C ATOM 662 CE2 PHE A 45 -7.619 18.950 11.153 1.00 65.23 C ATOM 663 CZ PHE A 45 -7.590 19.900 10.150 1.00 21.42 C ATOM 0 H PHE A 45 -2.270 15.832 10.421 1.00 65.00 H new ATOM 0 HA PHE A 45 -5.056 15.401 10.056 1.00 31.15 H new ATOM 0 HB2 PHE A 45 -4.253 16.922 11.750 1.00 42.44 H new ATOM 0 HB3 PHE A 45 -3.329 17.844 10.582 1.00 42.44 H new ATOM 0 HD1 PHE A 45 -4.542 19.240 8.875 1.00 13.31 H new ATOM 0 HD2 PHE A 45 -6.566 17.366 12.121 1.00 11.33 H new ATOM 0 HE1 PHE A 45 -6.458 20.742 8.545 1.00 63.10 H new ATOM 0 HE2 PHE A 45 -8.484 18.867 11.794 1.00 65.23 H new ATOM 0 HZ PHE A 45 -8.432 20.562 10.007 1.00 21.42 H new ATOM 673 N ILE A 46 -3.433 17.042 7.704 1.00 13.55 N ATOM 674 CA ILE A 46 -3.527 17.522 6.331 1.00 14.13 C ATOM 675 C ILE A 46 -2.912 16.524 5.357 1.00 71.52 C ATOM 676 O ILE A 46 -2.727 16.825 4.178 1.00 21.41 O ATOM 677 CB ILE A 46 -2.829 18.884 6.162 1.00 54.52 C ATOM 678 CG1 ILE A 46 -3.455 19.662 5.002 1.00 14.12 C ATOM 679 CG2 ILE A 46 -1.338 18.691 5.933 1.00 61.55 C ATOM 680 CD1 ILE A 46 -3.360 21.163 5.160 1.00 11.43 C ATOM 0 H ILE A 46 -2.504 17.123 8.117 1.00 13.55 H new ATOM 0 HA ILE A 46 -4.588 17.637 6.109 1.00 14.13 H new ATOM 0 HB ILE A 46 -2.964 19.461 7.077 1.00 54.52 H new ATOM 0 HG12 ILE A 46 -2.964 19.371 4.073 1.00 14.12 H new ATOM 0 HG13 ILE A 46 -4.504 19.380 4.910 1.00 14.12 H new ATOM 0 HG21 ILE A 46 -0.859 19.663 5.815 1.00 61.55 H new ATOM 0 HG22 ILE A 46 -0.903 18.173 6.788 1.00 61.55 H new ATOM 0 HG23 ILE A 46 -1.182 18.098 5.032 1.00 61.55 H new ATOM 0 HD11 ILE A 46 -3.824 21.649 4.302 1.00 11.43 H new ATOM 0 HD12 ILE A 46 -3.876 21.466 6.071 1.00 11.43 H new ATOM 0 HD13 ILE A 46 -2.312 21.457 5.221 1.00 11.43 H new ATOM 692 N ALA A 47 -2.599 15.333 5.857 1.00 23.14 N ATOM 693 CA ALA A 47 -2.008 14.288 5.030 1.00 0.04 C ATOM 694 C ALA A 47 -2.890 13.976 3.827 1.00 55.14 C ATOM 695 O ALA A 47 -2.453 14.023 2.677 1.00 42.12 O ATOM 696 CB ALA A 47 -1.774 13.031 5.855 1.00 2.35 C ATOM 0 H ALA A 47 -2.745 15.068 6.831 1.00 23.14 H new ATOM 0 HA ALA A 47 -1.049 14.651 4.660 1.00 0.04 H new ATOM 0 HB1 ALA A 47 -1.332 12.259 5.225 1.00 2.35 H new ATOM 0 HB2 ALA A 47 -1.098 13.257 6.679 1.00 2.35 H new ATOM 0 HB3 ALA A 47 -2.724 12.675 6.253 1.00 2.35 H new ATOM 702 N PRO A 48 -4.163 13.649 4.094 1.00 74.20 N ATOM 703 CA PRO A 48 -5.134 13.322 3.045 1.00 41.30 C ATOM 704 C PRO A 48 -5.519 14.540 2.212 1.00 12.22 C ATOM 705 O PRO A 48 -6.374 14.457 1.330 1.00 32.34 O ATOM 706 CB PRO A 48 -6.343 12.806 3.829 1.00 53.23 C ATOM 707 CG PRO A 48 -6.227 13.446 5.169 1.00 20.22 C ATOM 708 CD PRO A 48 -4.754 13.573 5.441 1.00 65.20 C ATOM 0 HA PRO A 48 -4.735 12.603 2.329 1.00 41.30 H new ATOM 0 HB2 PRO A 48 -7.278 13.079 3.340 1.00 53.23 H new ATOM 0 HB3 PRO A 48 -6.330 11.719 3.907 1.00 53.23 H new ATOM 0 HG2 PRO A 48 -6.711 14.423 5.178 1.00 20.22 H new ATOM 0 HG3 PRO A 48 -6.714 12.841 5.934 1.00 20.22 H new ATOM 0 HD2 PRO A 48 -4.529 14.463 6.029 1.00 65.20 H new ATOM 0 HD3 PRO A 48 -4.373 12.718 5.999 1.00 65.20 H new ATOM 716 N VAL A 49 -4.883 15.672 2.497 1.00 25.23 N ATOM 717 CA VAL A 49 -5.158 16.907 1.773 1.00 4.13 C ATOM 718 C VAL A 49 -4.124 17.144 0.678 1.00 72.22 C ATOM 719 O VAL A 49 -4.472 17.441 -0.465 1.00 52.31 O ATOM 720 CB VAL A 49 -5.173 18.121 2.721 1.00 43.43 C ATOM 721 CG1 VAL A 49 -4.931 19.407 1.945 1.00 52.22 C ATOM 722 CG2 VAL A 49 -6.489 18.187 3.481 1.00 5.01 C ATOM 0 H VAL A 49 -4.173 15.759 3.225 1.00 25.23 H new ATOM 0 HA VAL A 49 -6.143 16.796 1.320 1.00 4.13 H new ATOM 0 HB VAL A 49 -4.367 18.005 3.445 1.00 43.43 H new ATOM 0 HG11 VAL A 49 -4.945 20.254 2.631 1.00 52.22 H new ATOM 0 HG12 VAL A 49 -3.961 19.357 1.451 1.00 52.22 H new ATOM 0 HG13 VAL A 49 -5.713 19.533 1.197 1.00 52.22 H new ATOM 0 HG21 VAL A 49 -6.482 19.051 4.146 1.00 5.01 H new ATOM 0 HG22 VAL A 49 -7.313 18.280 2.774 1.00 5.01 H new ATOM 0 HG23 VAL A 49 -6.616 17.278 4.069 1.00 5.01 H new ATOM 732 N PHE A 50 -2.851 17.009 1.034 1.00 0.20 N ATOM 733 CA PHE A 50 -1.765 17.209 0.081 1.00 33.12 C ATOM 734 C PHE A 50 -1.822 16.169 -1.034 1.00 20.43 C ATOM 735 O PHE A 50 -2.178 16.480 -2.170 1.00 23.31 O ATOM 736 CB PHE A 50 -0.413 17.136 0.794 1.00 52.23 C ATOM 737 CG PHE A 50 -0.254 18.157 1.884 1.00 53.44 C ATOM 738 CD1 PHE A 50 -1.161 19.197 2.015 1.00 32.40 C ATOM 739 CD2 PHE A 50 0.802 18.078 2.776 1.00 4.34 C ATOM 740 CE1 PHE A 50 -1.018 20.138 3.017 1.00 31.21 C ATOM 741 CE2 PHE A 50 0.950 19.016 3.781 1.00 43.34 C ATOM 742 CZ PHE A 50 0.040 20.048 3.900 1.00 33.14 C ATOM 0 H PHE A 50 -2.546 16.762 1.975 1.00 0.20 H new ATOM 0 HA PHE A 50 -1.881 18.198 -0.362 1.00 33.12 H new ATOM 0 HB2 PHE A 50 -0.289 16.140 1.219 1.00 52.23 H new ATOM 0 HB3 PHE A 50 0.383 17.271 0.062 1.00 52.23 H new ATOM 0 HD1 PHE A 50 -1.989 19.273 1.326 1.00 32.40 H new ATOM 0 HD2 PHE A 50 1.518 17.275 2.686 1.00 4.34 H new ATOM 0 HE1 PHE A 50 -1.733 20.943 3.109 1.00 31.21 H new ATOM 0 HE2 PHE A 50 1.776 18.942 4.472 1.00 43.34 H new ATOM 0 HZ PHE A 50 0.156 20.783 4.682 1.00 33.14 H new ATOM 752 N ALA A 51 -1.468 14.932 -0.699 1.00 61.05 N ATOM 753 CA ALA A 51 -1.479 13.845 -1.671 1.00 14.23 C ATOM 754 C ALA A 51 -2.744 13.883 -2.522 1.00 34.35 C ATOM 755 O ALA A 51 -2.680 13.811 -3.748 1.00 61.02 O ATOM 756 CB ALA A 51 -1.357 12.504 -0.963 1.00 65.22 C ATOM 0 H ALA A 51 -1.170 14.658 0.237 1.00 61.05 H new ATOM 0 HA ALA A 51 -0.623 13.973 -2.333 1.00 14.23 H new ATOM 0 HB1 ALA A 51 -1.367 11.701 -1.700 1.00 65.22 H new ATOM 0 HB2 ALA A 51 -0.422 12.472 -0.403 1.00 65.22 H new ATOM 0 HB3 ALA A 51 -2.195 12.377 -0.277 1.00 65.22 H new ATOM 762 N GLU A 52 -3.893 13.995 -1.862 1.00 21.24 N ATOM 763 CA GLU A 52 -5.173 14.040 -2.559 1.00 63.01 C ATOM 764 C GLU A 52 -5.257 15.267 -3.462 1.00 41.04 C ATOM 765 O GLU A 52 -5.874 15.226 -4.527 1.00 43.32 O ATOM 766 CB GLU A 52 -6.326 14.053 -1.554 1.00 73.10 C ATOM 767 CG GLU A 52 -6.852 15.445 -1.248 1.00 42.43 C ATOM 768 CD GLU A 52 -8.094 15.422 -0.378 1.00 45.43 C ATOM 769 OE1 GLU A 52 -9.045 14.690 -0.720 1.00 61.54 O ATOM 770 OE2 GLU A 52 -8.113 16.138 0.645 1.00 33.22 O ATOM 0 H GLU A 52 -3.963 14.056 -0.846 1.00 21.24 H new ATOM 0 HA GLU A 52 -5.252 13.147 -3.179 1.00 63.01 H new ATOM 0 HB2 GLU A 52 -7.142 13.443 -1.942 1.00 73.10 H new ATOM 0 HB3 GLU A 52 -5.993 13.588 -0.626 1.00 73.10 H new ATOM 0 HG2 GLU A 52 -6.074 16.022 -0.748 1.00 42.43 H new ATOM 0 HG3 GLU A 52 -7.078 15.958 -2.183 1.00 42.43 H new ATOM 777 N TYR A 53 -4.633 16.357 -3.029 1.00 73.12 N ATOM 778 CA TYR A 53 -4.640 17.597 -3.796 1.00 64.12 C ATOM 779 C TYR A 53 -3.815 17.453 -5.072 1.00 21.14 C ATOM 780 O TYR A 53 -4.238 17.872 -6.148 1.00 72.04 O ATOM 781 CB TYR A 53 -4.093 18.748 -2.949 1.00 72.35 C ATOM 782 CG TYR A 53 -5.125 19.370 -2.036 1.00 2.20 C ATOM 783 CD1 TYR A 53 -6.361 18.767 -1.839 1.00 21.12 C ATOM 784 CD2 TYR A 53 -4.864 20.562 -1.371 1.00 31.21 C ATOM 785 CE1 TYR A 53 -7.307 19.332 -1.006 1.00 1.24 C ATOM 786 CE2 TYR A 53 -5.803 21.134 -0.535 1.00 34.52 C ATOM 787 CZ TYR A 53 -7.023 20.515 -0.356 1.00 12.24 C ATOM 788 OH TYR A 53 -7.962 21.082 0.475 1.00 11.24 O ATOM 0 H TYR A 53 -4.116 16.407 -2.151 1.00 73.12 H new ATOM 0 HA TYR A 53 -5.671 17.817 -4.074 1.00 64.12 H new ATOM 0 HB2 TYR A 53 -3.261 18.382 -2.347 1.00 72.35 H new ATOM 0 HB3 TYR A 53 -3.694 19.517 -3.610 1.00 72.35 H new ATOM 0 HD1 TYR A 53 -6.586 17.840 -2.346 1.00 21.12 H new ATOM 0 HD2 TYR A 53 -3.910 21.050 -1.510 1.00 31.21 H new ATOM 0 HE1 TYR A 53 -8.263 18.850 -0.864 1.00 1.24 H new ATOM 0 HE2 TYR A 53 -5.584 22.060 -0.025 1.00 34.52 H new ATOM 0 HH TYR A 53 -7.604 21.911 0.855 1.00 11.24 H new ATOM 798 N ALA A 54 -2.635 16.856 -4.941 1.00 4.11 N ATOM 799 CA ALA A 54 -1.751 16.653 -6.082 1.00 4.41 C ATOM 800 C ALA A 54 -2.527 16.157 -7.297 1.00 13.41 C ATOM 801 O ALA A 54 -2.306 16.616 -8.418 1.00 30.20 O ATOM 802 CB ALA A 54 -0.644 15.673 -5.724 1.00 63.43 C ATOM 0 H ALA A 54 -2.269 16.505 -4.056 1.00 4.11 H new ATOM 0 HA ALA A 54 -1.303 17.613 -6.338 1.00 4.41 H new ATOM 0 HB1 ALA A 54 0.009 15.531 -6.585 1.00 63.43 H new ATOM 0 HB2 ALA A 54 -0.064 16.068 -4.890 1.00 63.43 H new ATOM 0 HB3 ALA A 54 -1.083 14.717 -5.439 1.00 63.43 H new ATOM 808 N LYS A 55 -3.438 15.218 -7.068 1.00 30.53 N ATOM 809 CA LYS A 55 -4.249 14.659 -8.143 1.00 21.31 C ATOM 810 C LYS A 55 -5.391 15.601 -8.510 1.00 5.52 C ATOM 811 O LYS A 55 -5.679 15.816 -9.687 1.00 64.24 O ATOM 812 CB LYS A 55 -4.811 13.296 -7.730 1.00 41.45 C ATOM 813 CG LYS A 55 -3.766 12.357 -7.153 1.00 14.11 C ATOM 814 CD LYS A 55 -4.405 11.249 -6.332 1.00 54.25 C ATOM 815 CE LYS A 55 -5.321 10.382 -7.184 1.00 2.54 C ATOM 816 NZ LYS A 55 -4.599 9.216 -7.763 1.00 32.44 N ATOM 0 H LYS A 55 -3.634 14.827 -6.146 1.00 30.53 H new ATOM 0 HA LYS A 55 -3.611 14.533 -9.017 1.00 21.31 H new ATOM 0 HB2 LYS A 55 -5.600 13.446 -6.993 1.00 41.45 H new ATOM 0 HB3 LYS A 55 -5.272 12.824 -8.598 1.00 41.45 H new ATOM 0 HG2 LYS A 55 -3.181 11.920 -7.963 1.00 14.11 H new ATOM 0 HG3 LYS A 55 -3.074 12.921 -6.528 1.00 14.11 H new ATOM 0 HD2 LYS A 55 -3.627 10.630 -5.886 1.00 54.25 H new ATOM 0 HD3 LYS A 55 -4.974 11.685 -5.511 1.00 54.25 H new ATOM 0 HE2 LYS A 55 -6.154 10.028 -6.577 1.00 2.54 H new ATOM 0 HE3 LYS A 55 -5.745 10.983 -7.989 1.00 2.54 H new ATOM 0 HZ1 LYS A 55 -5.257 8.650 -8.336 1.00 32.44 H new ATOM 0 HZ2 LYS A 55 -3.819 9.553 -8.363 1.00 32.44 H new ATOM 0 HZ3 LYS A 55 -4.216 8.629 -6.995 1.00 32.44 H new ATOM 830 N LYS A 56 -6.037 16.164 -7.494 1.00 60.32 N ATOM 831 CA LYS A 56 -7.146 17.086 -7.709 1.00 4.21 C ATOM 832 C LYS A 56 -6.733 18.226 -8.635 1.00 13.24 C ATOM 833 O LYS A 56 -7.572 18.829 -9.305 1.00 2.11 O ATOM 834 CB LYS A 56 -7.632 17.651 -6.372 1.00 72.13 C ATOM 835 CG LYS A 56 -8.314 16.621 -5.489 1.00 30.42 C ATOM 836 CD LYS A 56 -9.680 17.099 -5.026 1.00 40.22 C ATOM 837 CE LYS A 56 -9.577 18.389 -4.226 1.00 72.23 C ATOM 838 NZ LYS A 56 -10.918 18.964 -3.927 1.00 43.45 N ATOM 0 H LYS A 56 -5.811 15.998 -6.513 1.00 60.32 H new ATOM 0 HA LYS A 56 -7.959 16.534 -8.181 1.00 4.21 H new ATOM 0 HB2 LYS A 56 -6.782 18.072 -5.835 1.00 72.13 H new ATOM 0 HB3 LYS A 56 -8.326 18.470 -6.564 1.00 72.13 H new ATOM 0 HG2 LYS A 56 -8.422 15.685 -6.037 1.00 30.42 H new ATOM 0 HG3 LYS A 56 -7.688 16.412 -4.622 1.00 30.42 H new ATOM 0 HD2 LYS A 56 -10.324 17.256 -5.891 1.00 40.22 H new ATOM 0 HD3 LYS A 56 -10.149 16.327 -4.416 1.00 40.22 H new ATOM 0 HE2 LYS A 56 -9.048 18.196 -3.293 1.00 72.23 H new ATOM 0 HE3 LYS A 56 -8.986 19.116 -4.783 1.00 72.23 H new ATOM 0 HZ1 LYS A 56 -10.805 19.842 -3.381 1.00 43.45 H new ATOM 0 HZ2 LYS A 56 -11.413 19.171 -4.818 1.00 43.45 H new ATOM 0 HZ3 LYS A 56 -11.473 18.281 -3.373 1.00 43.45 H new ATOM 852 N PHE A 57 -5.437 18.516 -8.668 1.00 23.12 N ATOM 853 CA PHE A 57 -4.913 19.584 -9.512 1.00 74.52 C ATOM 854 C PHE A 57 -3.944 19.029 -10.552 1.00 31.20 C ATOM 855 O PHE A 57 -2.736 18.947 -10.330 1.00 21.52 O ATOM 856 CB PHE A 57 -4.212 20.641 -8.657 1.00 42.14 C ATOM 857 CG PHE A 57 -5.133 21.720 -8.164 1.00 44.41 C ATOM 858 CD1 PHE A 57 -5.380 22.844 -8.936 1.00 10.33 C ATOM 859 CD2 PHE A 57 -5.751 21.611 -6.929 1.00 70.31 C ATOM 860 CE1 PHE A 57 -6.226 23.839 -8.484 1.00 12.24 C ATOM 861 CE2 PHE A 57 -6.599 22.602 -6.472 1.00 4.31 C ATOM 862 CZ PHE A 57 -6.837 23.717 -7.251 1.00 12.52 C ATOM 0 H PHE A 57 -4.730 18.026 -8.120 1.00 23.12 H new ATOM 0 HA PHE A 57 -5.751 20.046 -10.033 1.00 74.52 H new ATOM 0 HB2 PHE A 57 -3.745 20.153 -7.801 1.00 42.14 H new ATOM 0 HB3 PHE A 57 -3.411 21.096 -9.240 1.00 42.14 H new ATOM 0 HD1 PHE A 57 -4.906 22.944 -9.901 1.00 10.33 H new ATOM 0 HD2 PHE A 57 -5.568 20.741 -6.316 1.00 70.31 H new ATOM 0 HE1 PHE A 57 -6.409 24.711 -9.094 1.00 12.24 H new ATOM 0 HE2 PHE A 57 -7.075 22.505 -5.507 1.00 4.31 H new ATOM 0 HZ PHE A 57 -7.500 24.493 -6.897 1.00 12.52 H new ATOM 872 N PRO A 58 -4.485 18.638 -11.715 1.00 51.25 N ATOM 873 CA PRO A 58 -3.687 18.084 -12.813 1.00 50.43 C ATOM 874 C PRO A 58 -2.795 19.133 -13.468 1.00 2.51 C ATOM 875 O PRO A 58 -1.978 18.816 -14.331 1.00 41.33 O ATOM 876 CB PRO A 58 -4.743 17.587 -13.804 1.00 1.23 C ATOM 877 CG PRO A 58 -5.946 18.420 -13.525 1.00 10.32 C ATOM 878 CD PRO A 58 -5.918 18.708 -12.049 1.00 63.41 C ATOM 0 HA PRO A 58 -3.006 17.306 -12.469 1.00 50.43 H new ATOM 0 HB2 PRO A 58 -4.408 17.708 -14.834 1.00 1.23 H new ATOM 0 HB3 PRO A 58 -4.953 16.527 -13.660 1.00 1.23 H new ATOM 0 HG2 PRO A 58 -5.924 19.344 -14.103 1.00 10.32 H new ATOM 0 HG3 PRO A 58 -6.859 17.892 -13.802 1.00 10.32 H new ATOM 0 HD2 PRO A 58 -6.336 19.689 -11.823 1.00 63.41 H new ATOM 0 HD3 PRO A 58 -6.498 17.977 -11.486 1.00 63.41 H new ATOM 886 N GLY A 59 -2.957 20.386 -13.050 1.00 63.54 N ATOM 887 CA GLY A 59 -2.158 21.462 -13.607 1.00 14.10 C ATOM 888 C GLY A 59 -0.880 21.699 -12.828 1.00 21.52 C ATOM 889 O GLY A 59 -0.277 22.768 -12.920 1.00 74.53 O ATOM 0 H GLY A 59 -3.627 20.674 -12.337 1.00 63.54 H new ATOM 0 HA2 GLY A 59 -1.910 21.228 -14.642 1.00 14.10 H new ATOM 0 HA3 GLY A 59 -2.747 22.379 -13.620 1.00 14.10 H new ATOM 893 N ALA A 60 -0.466 20.699 -12.056 1.00 65.23 N ATOM 894 CA ALA A 60 0.750 20.803 -11.258 1.00 74.01 C ATOM 895 C ALA A 60 1.433 19.447 -11.118 1.00 73.25 C ATOM 896 O ALA A 60 0.855 18.412 -11.451 1.00 53.04 O ATOM 897 CB ALA A 60 0.432 21.380 -9.886 1.00 62.14 C ATOM 0 H ALA A 60 -0.955 19.808 -11.966 1.00 65.23 H new ATOM 0 HA ALA A 60 1.437 21.475 -11.773 1.00 74.01 H new ATOM 0 HB1 ALA A 60 1.348 21.452 -9.300 1.00 62.14 H new ATOM 0 HB2 ALA A 60 -0.005 22.372 -10.001 1.00 62.14 H new ATOM 0 HB3 ALA A 60 -0.276 20.729 -9.373 1.00 62.14 H new ATOM 903 N VAL A 61 2.667 19.459 -10.625 1.00 32.14 N ATOM 904 CA VAL A 61 3.429 18.229 -10.441 1.00 13.53 C ATOM 905 C VAL A 61 3.413 17.786 -8.982 1.00 51.21 C ATOM 906 O VAL A 61 3.412 16.591 -8.685 1.00 52.31 O ATOM 907 CB VAL A 61 4.889 18.401 -10.898 1.00 25.31 C ATOM 908 CG1 VAL A 61 4.945 18.905 -12.332 1.00 13.01 C ATOM 909 CG2 VAL A 61 5.633 19.343 -9.964 1.00 13.44 C ATOM 0 H VAL A 61 3.161 20.307 -10.346 1.00 32.14 H new ATOM 0 HA VAL A 61 2.951 17.465 -11.055 1.00 13.53 H new ATOM 0 HB VAL A 61 5.379 17.428 -10.861 1.00 25.31 H new ATOM 0 HG11 VAL A 61 5.985 19.020 -12.637 1.00 13.01 H new ATOM 0 HG12 VAL A 61 4.452 18.189 -12.989 1.00 13.01 H new ATOM 0 HG13 VAL A 61 4.438 19.868 -12.399 1.00 13.01 H new ATOM 0 HG21 VAL A 61 6.663 19.453 -10.303 1.00 13.44 H new ATOM 0 HG22 VAL A 61 5.145 20.318 -9.966 1.00 13.44 H new ATOM 0 HG23 VAL A 61 5.625 18.935 -8.953 1.00 13.44 H new ATOM 919 N PHE A 62 3.400 18.757 -8.075 1.00 20.24 N ATOM 920 CA PHE A 62 3.385 18.467 -6.645 1.00 54.14 C ATOM 921 C PHE A 62 4.564 17.580 -6.258 1.00 2.24 C ATOM 922 O PHE A 62 5.173 16.930 -7.108 1.00 42.13 O ATOM 923 CB PHE A 62 2.071 17.787 -6.256 1.00 33.24 C ATOM 924 CG PHE A 62 0.870 18.679 -6.393 1.00 60.34 C ATOM 925 CD1 PHE A 62 0.257 18.852 -7.624 1.00 33.32 C ATOM 926 CD2 PHE A 62 0.354 19.343 -5.293 1.00 3.54 C ATOM 927 CE1 PHE A 62 -0.848 19.672 -7.753 1.00 43.43 C ATOM 928 CE2 PHE A 62 -0.750 20.165 -5.416 1.00 13.20 C ATOM 929 CZ PHE A 62 -1.353 20.329 -6.648 1.00 4.00 C ATOM 0 H PHE A 62 3.400 19.751 -8.304 1.00 20.24 H new ATOM 0 HA PHE A 62 3.471 19.411 -6.107 1.00 54.14 H new ATOM 0 HB2 PHE A 62 1.930 16.904 -6.879 1.00 33.24 H new ATOM 0 HB3 PHE A 62 2.141 17.442 -5.224 1.00 33.24 H new ATOM 0 HD1 PHE A 62 0.647 18.341 -8.492 1.00 33.32 H new ATOM 0 HD2 PHE A 62 0.820 19.217 -4.327 1.00 3.54 H new ATOM 0 HE1 PHE A 62 -1.317 19.799 -8.718 1.00 43.43 H new ATOM 0 HE2 PHE A 62 -1.141 20.679 -4.550 1.00 13.20 H new ATOM 0 HZ PHE A 62 -2.217 20.969 -6.747 1.00 4.00 H new ATOM 939 N LEU A 63 4.882 17.559 -4.968 1.00 14.22 N ATOM 940 CA LEU A 63 5.989 16.753 -4.465 1.00 73.14 C ATOM 941 C LEU A 63 6.436 17.239 -3.091 1.00 22.14 C ATOM 942 O LEU A 63 6.363 18.430 -2.786 1.00 74.34 O ATOM 943 CB LEU A 63 7.164 16.800 -5.443 1.00 63.40 C ATOM 944 CG LEU A 63 8.557 16.671 -4.825 1.00 11.23 C ATOM 945 CD1 LEU A 63 9.123 15.281 -5.069 1.00 30.14 C ATOM 946 CD2 LEU A 63 9.490 17.735 -5.386 1.00 34.34 C ATOM 0 H LEU A 63 4.389 18.091 -4.251 1.00 14.22 H new ATOM 0 HA LEU A 63 5.644 15.724 -4.370 1.00 73.14 H new ATOM 0 HB2 LEU A 63 7.036 16.000 -6.172 1.00 63.40 H new ATOM 0 HB3 LEU A 63 7.117 17.741 -5.991 1.00 63.40 H new ATOM 0 HG LEU A 63 8.471 16.822 -3.749 1.00 11.23 H new ATOM 0 HD11 LEU A 63 10.115 15.208 -4.622 1.00 30.14 H new ATOM 0 HD12 LEU A 63 8.466 14.537 -4.619 1.00 30.14 H new ATOM 0 HD13 LEU A 63 9.194 15.100 -6.142 1.00 30.14 H new ATOM 0 HD21 LEU A 63 10.477 17.628 -4.935 1.00 34.34 H new ATOM 0 HD22 LEU A 63 9.570 17.616 -6.467 1.00 34.34 H new ATOM 0 HD23 LEU A 63 9.092 18.724 -5.159 1.00 34.34 H new ATOM 958 N LYS A 64 6.902 16.310 -2.263 1.00 64.42 N ATOM 959 CA LYS A 64 7.366 16.642 -0.921 1.00 50.14 C ATOM 960 C LYS A 64 8.855 16.346 -0.771 1.00 52.42 C ATOM 961 O LYS A 64 9.325 15.272 -1.144 1.00 63.25 O ATOM 962 CB LYS A 64 6.571 15.857 0.124 1.00 22.33 C ATOM 963 CG LYS A 64 7.429 14.938 0.977 1.00 44.21 C ATOM 964 CD LYS A 64 6.578 14.010 1.827 1.00 23.01 C ATOM 965 CE LYS A 64 5.400 13.457 1.040 1.00 61.00 C ATOM 966 NZ LYS A 64 4.801 12.265 1.702 1.00 12.43 N ATOM 0 H LYS A 64 6.968 15.320 -2.498 1.00 64.42 H new ATOM 0 HA LYS A 64 7.208 17.709 -0.763 1.00 50.14 H new ATOM 0 HB2 LYS A 64 6.049 16.559 0.774 1.00 22.33 H new ATOM 0 HB3 LYS A 64 5.809 15.263 -0.382 1.00 22.33 H new ATOM 0 HG2 LYS A 64 8.082 14.347 0.334 1.00 44.21 H new ATOM 0 HG3 LYS A 64 8.073 15.535 1.622 1.00 44.21 H new ATOM 0 HD2 LYS A 64 7.191 13.186 2.194 1.00 23.01 H new ATOM 0 HD3 LYS A 64 6.212 14.549 2.701 1.00 23.01 H new ATOM 0 HE2 LYS A 64 4.641 14.231 0.931 1.00 61.00 H new ATOM 0 HE3 LYS A 64 5.728 13.188 0.036 1.00 61.00 H new ATOM 0 HZ1 LYS A 64 4.001 11.918 1.135 1.00 12.43 H new ATOM 0 HZ2 LYS A 64 5.518 11.516 1.784 1.00 12.43 H new ATOM 0 HZ3 LYS A 64 4.465 12.527 2.651 1.00 12.43 H new ATOM 980 N VAL A 65 9.592 17.306 -0.221 1.00 13.30 N ATOM 981 CA VAL A 65 11.027 17.147 -0.019 1.00 11.50 C ATOM 982 C VAL A 65 11.396 17.308 1.451 1.00 10.05 C ATOM 983 O VAL A 65 10.630 17.867 2.237 1.00 61.21 O ATOM 984 CB VAL A 65 11.827 18.166 -0.852 1.00 1.30 C ATOM 985 CG1 VAL A 65 11.527 19.585 -0.393 1.00 13.01 C ATOM 986 CG2 VAL A 65 13.317 17.873 -0.764 1.00 21.11 C ATOM 0 H VAL A 65 9.219 18.202 0.093 1.00 13.30 H new ATOM 0 HA VAL A 65 11.283 16.140 -0.347 1.00 11.50 H new ATOM 0 HB VAL A 65 11.523 18.075 -1.895 1.00 1.30 H new ATOM 0 HG11 VAL A 65 12.101 20.291 -0.993 1.00 13.01 H new ATOM 0 HG12 VAL A 65 10.463 19.789 -0.513 1.00 13.01 H new ATOM 0 HG13 VAL A 65 11.801 19.694 0.656 1.00 13.01 H new ATOM 0 HG21 VAL A 65 13.867 18.603 -1.358 1.00 21.11 H new ATOM 0 HG22 VAL A 65 13.639 17.935 0.275 1.00 21.11 H new ATOM 0 HG23 VAL A 65 13.514 16.871 -1.146 1.00 21.11 H new ATOM 996 N ASP A 66 12.574 16.815 1.817 1.00 0.01 N ATOM 997 CA ASP A 66 13.047 16.905 3.194 1.00 75.02 C ATOM 998 C ASP A 66 14.305 17.762 3.281 1.00 3.34 C ATOM 999 O ASP A 66 15.361 17.387 2.772 1.00 24.01 O ATOM 1000 CB ASP A 66 13.326 15.509 3.752 1.00 34.41 C ATOM 1001 CG ASP A 66 12.893 15.366 5.198 1.00 2.11 C ATOM 1002 OD1 ASP A 66 13.101 16.321 5.976 1.00 60.51 O ATOM 1003 OD2 ASP A 66 12.348 14.300 5.552 1.00 34.23 O ATOM 0 H ASP A 66 13.219 16.349 1.179 1.00 0.01 H new ATOM 0 HA ASP A 66 12.266 17.377 3.791 1.00 75.02 H new ATOM 0 HB2 ASP A 66 12.806 14.768 3.145 1.00 34.41 H new ATOM 0 HB3 ASP A 66 14.392 15.295 3.672 1.00 34.41 H new ATOM 1008 N VAL A 67 14.185 18.916 3.930 1.00 43.41 N ATOM 1009 CA VAL A 67 15.313 19.827 4.084 1.00 1.53 C ATOM 1010 C VAL A 67 16.251 19.359 5.191 1.00 33.43 C ATOM 1011 O VAL A 67 16.771 20.166 5.961 1.00 21.15 O ATOM 1012 CB VAL A 67 14.839 21.259 4.400 1.00 63.32 C ATOM 1013 CG1 VAL A 67 13.653 21.633 3.525 1.00 14.53 C ATOM 1014 CG2 VAL A 67 14.488 21.390 5.874 1.00 4.41 C ATOM 0 H VAL A 67 13.318 19.242 4.357 1.00 43.41 H new ATOM 0 HA VAL A 67 15.849 19.830 3.135 1.00 1.53 H new ATOM 0 HB VAL A 67 15.653 21.950 4.182 1.00 63.32 H new ATOM 0 HG11 VAL A 67 13.332 22.647 3.762 1.00 14.53 H new ATOM 0 HG12 VAL A 67 13.944 21.580 2.476 1.00 14.53 H new ATOM 0 HG13 VAL A 67 12.832 20.940 3.709 1.00 14.53 H new ATOM 0 HG21 VAL A 67 14.155 22.407 6.080 1.00 4.41 H new ATOM 0 HG22 VAL A 67 13.690 20.690 6.122 1.00 4.41 H new ATOM 0 HG23 VAL A 67 15.367 21.167 6.479 1.00 4.41 H new ATOM 1024 N ASP A 68 16.462 18.049 5.265 1.00 42.25 N ATOM 1025 CA ASP A 68 17.339 17.472 6.277 1.00 60.23 C ATOM 1026 C ASP A 68 18.348 16.519 5.642 1.00 14.14 C ATOM 1027 O ASP A 68 19.397 16.238 6.220 1.00 62.24 O ATOM 1028 CB ASP A 68 16.516 16.734 7.334 1.00 63.53 C ATOM 1029 CG ASP A 68 17.007 17.004 8.742 1.00 1.04 C ATOM 1030 OD1 ASP A 68 16.713 18.095 9.274 1.00 74.15 O ATOM 1031 OD2 ASP A 68 17.686 16.125 9.313 1.00 5.14 O ATOM 0 H ASP A 68 16.038 17.367 4.636 1.00 42.25 H new ATOM 0 HA ASP A 68 17.886 18.285 6.756 1.00 60.23 H new ATOM 0 HB2 ASP A 68 15.472 17.035 7.253 1.00 63.53 H new ATOM 0 HB3 ASP A 68 16.555 15.663 7.138 1.00 63.53 H new ATOM 1036 N GLU A 69 18.020 16.025 4.452 1.00 4.52 N ATOM 1037 CA GLU A 69 18.898 15.103 3.741 1.00 35.33 C ATOM 1038 C GLU A 69 19.400 15.722 2.440 1.00 15.43 C ATOM 1039 O GLU A 69 20.537 15.493 2.028 1.00 23.52 O ATOM 1040 CB GLU A 69 18.164 13.793 3.445 1.00 23.34 C ATOM 1041 CG GLU A 69 16.917 13.972 2.596 1.00 64.33 C ATOM 1042 CD GLU A 69 15.926 12.838 2.769 1.00 73.32 C ATOM 1043 OE1 GLU A 69 16.370 11.686 2.960 1.00 12.24 O ATOM 1044 OE2 GLU A 69 14.707 13.101 2.713 1.00 55.24 O ATOM 0 H GLU A 69 17.154 16.247 3.961 1.00 4.52 H new ATOM 0 HA GLU A 69 19.757 14.895 4.379 1.00 35.33 H new ATOM 0 HB2 GLU A 69 18.845 13.112 2.935 1.00 23.34 H new ATOM 0 HB3 GLU A 69 17.887 13.321 4.387 1.00 23.34 H new ATOM 0 HG2 GLU A 69 16.435 14.914 2.859 1.00 64.33 H new ATOM 0 HG3 GLU A 69 17.203 14.042 1.547 1.00 64.33 H new ATOM 1051 N LEU A 70 18.543 16.509 1.798 1.00 61.34 N ATOM 1052 CA LEU A 70 18.898 17.162 0.542 1.00 1.15 C ATOM 1053 C LEU A 70 18.645 18.664 0.620 1.00 3.31 C ATOM 1054 O LEU A 70 18.439 19.324 -0.399 1.00 21.21 O ATOM 1055 CB LEU A 70 18.099 16.558 -0.614 1.00 21.14 C ATOM 1056 CG LEU A 70 16.654 17.038 -0.754 1.00 43.43 C ATOM 1057 CD1 LEU A 70 16.161 16.838 -2.179 1.00 24.31 C ATOM 1058 CD2 LEU A 70 15.752 16.311 0.232 1.00 70.03 C ATOM 0 H LEU A 70 17.598 16.710 2.126 1.00 61.34 H new ATOM 0 HA LEU A 70 19.961 16.999 0.364 1.00 1.15 H new ATOM 0 HB2 LEU A 70 18.624 16.774 -1.544 1.00 21.14 H new ATOM 0 HB3 LEU A 70 18.091 15.474 -0.497 1.00 21.14 H new ATOM 0 HG LEU A 70 16.622 18.104 -0.526 1.00 43.43 H new ATOM 0 HD11 LEU A 70 15.131 17.185 -2.260 1.00 24.31 H new ATOM 0 HD12 LEU A 70 16.790 17.406 -2.865 1.00 24.31 H new ATOM 0 HD13 LEU A 70 16.208 15.780 -2.435 1.00 24.31 H new ATOM 0 HD21 LEU A 70 14.728 16.666 0.118 1.00 70.03 H new ATOM 0 HD22 LEU A 70 15.789 15.239 0.037 1.00 70.03 H new ATOM 0 HD23 LEU A 70 16.092 16.507 1.249 1.00 70.03 H new ATOM 1070 N LYS A 71 18.664 19.200 1.836 1.00 45.23 N ATOM 1071 CA LYS A 71 18.441 20.625 2.048 1.00 40.32 C ATOM 1072 C LYS A 71 18.931 21.437 0.853 1.00 60.33 C ATOM 1073 O LYS A 71 18.329 22.446 0.489 1.00 44.44 O ATOM 1074 CB LYS A 71 19.153 21.090 3.320 1.00 42.50 C ATOM 1075 CG LYS A 71 20.178 20.098 3.841 1.00 62.12 C ATOM 1076 CD LYS A 71 21.452 20.795 4.290 1.00 74.04 C ATOM 1077 CE LYS A 71 22.424 20.978 3.134 1.00 14.31 C ATOM 1078 NZ LYS A 71 23.798 20.528 3.489 1.00 60.12 N ATOM 0 H LYS A 71 18.832 18.668 2.690 1.00 45.23 H new ATOM 0 HA LYS A 71 17.369 20.786 2.159 1.00 40.32 H new ATOM 0 HB2 LYS A 71 19.648 22.041 3.122 1.00 42.50 H new ATOM 0 HB3 LYS A 71 18.410 21.273 4.096 1.00 42.50 H new ATOM 0 HG2 LYS A 71 19.754 19.540 4.676 1.00 62.12 H new ATOM 0 HG3 LYS A 71 20.414 19.374 3.061 1.00 62.12 H new ATOM 0 HD2 LYS A 71 21.205 21.767 4.717 1.00 74.04 H new ATOM 0 HD3 LYS A 71 21.928 20.212 5.079 1.00 74.04 H new ATOM 0 HE2 LYS A 71 22.070 20.417 2.269 1.00 14.31 H new ATOM 0 HE3 LYS A 71 22.449 22.028 2.844 1.00 14.31 H new ATOM 0 HZ1 LYS A 71 24.430 20.669 2.676 1.00 60.12 H new ATOM 0 HZ2 LYS A 71 24.146 21.081 4.298 1.00 60.12 H new ATOM 0 HZ3 LYS A 71 23.779 19.519 3.742 1.00 60.12 H new ATOM 1092 N GLU A 72 20.025 20.987 0.246 1.00 23.13 N ATOM 1093 CA GLU A 72 20.594 21.672 -0.908 1.00 43.13 C ATOM 1094 C GLU A 72 19.498 22.305 -1.760 1.00 72.45 C ATOM 1095 O GLU A 72 19.696 23.359 -2.365 1.00 32.24 O ATOM 1096 CB GLU A 72 21.415 20.697 -1.755 1.00 34.41 C ATOM 1097 CG GLU A 72 20.740 19.350 -1.957 1.00 2.11 C ATOM 1098 CD GLU A 72 21.380 18.538 -3.066 1.00 73.13 C ATOM 1099 OE1 GLU A 72 22.382 19.009 -3.643 1.00 25.21 O ATOM 1100 OE2 GLU A 72 20.878 17.432 -3.358 1.00 11.31 O ATOM 0 H GLU A 72 20.534 20.152 0.534 1.00 23.13 H new ATOM 0 HA GLU A 72 21.248 22.463 -0.542 1.00 43.13 H new ATOM 0 HB2 GLU A 72 21.607 21.147 -2.729 1.00 34.41 H new ATOM 0 HB3 GLU A 72 22.383 20.541 -1.279 1.00 34.41 H new ATOM 0 HG2 GLU A 72 20.782 18.784 -1.027 1.00 2.11 H new ATOM 0 HG3 GLU A 72 19.686 19.507 -2.188 1.00 2.11 H new ATOM 1107 N VAL A 73 18.340 21.652 -1.804 1.00 43.44 N ATOM 1108 CA VAL A 73 17.211 22.150 -2.582 1.00 24.05 C ATOM 1109 C VAL A 73 16.554 23.342 -1.895 1.00 4.01 C ATOM 1110 O VAL A 73 16.287 24.365 -2.525 1.00 65.31 O ATOM 1111 CB VAL A 73 16.154 21.052 -2.802 1.00 63.31 C ATOM 1112 CG1 VAL A 73 14.916 21.629 -3.471 1.00 61.11 C ATOM 1113 CG2 VAL A 73 16.734 19.913 -3.627 1.00 61.30 C ATOM 0 H VAL A 73 18.159 20.778 -1.310 1.00 43.44 H new ATOM 0 HA VAL A 73 17.606 22.463 -3.549 1.00 24.05 H new ATOM 0 HB VAL A 73 15.860 20.654 -1.831 1.00 63.31 H new ATOM 0 HG11 VAL A 73 14.180 20.838 -3.618 1.00 61.11 H new ATOM 0 HG12 VAL A 73 14.490 22.408 -2.838 1.00 61.11 H new ATOM 0 HG13 VAL A 73 15.189 22.055 -4.436 1.00 61.11 H new ATOM 0 HG21 VAL A 73 15.974 19.146 -3.773 1.00 61.30 H new ATOM 0 HG22 VAL A 73 17.057 20.293 -4.596 1.00 61.30 H new ATOM 0 HG23 VAL A 73 17.588 19.483 -3.104 1.00 61.30 H new ATOM 1123 N ALA A 74 16.297 23.203 -0.599 1.00 34.14 N ATOM 1124 CA ALA A 74 15.673 24.269 0.175 1.00 11.30 C ATOM 1125 C ALA A 74 16.589 25.485 0.273 1.00 70.44 C ATOM 1126 O ALA A 74 16.126 26.607 0.470 1.00 51.32 O ATOM 1127 CB ALA A 74 15.307 23.769 1.564 1.00 21.25 C ATOM 0 H ALA A 74 16.511 22.362 -0.063 1.00 34.14 H new ATOM 0 HA ALA A 74 14.762 24.573 -0.341 1.00 11.30 H new ATOM 0 HB1 ALA A 74 14.842 24.576 2.130 1.00 21.25 H new ATOM 0 HB2 ALA A 74 14.609 22.936 1.479 1.00 21.25 H new ATOM 0 HB3 ALA A 74 16.208 23.436 2.080 1.00 21.25 H new ATOM 1133 N GLU A 75 17.890 25.252 0.134 1.00 64.42 N ATOM 1134 CA GLU A 75 18.871 26.329 0.208 1.00 33.42 C ATOM 1135 C GLU A 75 18.818 27.200 -1.044 1.00 20.34 C ATOM 1136 O GLU A 75 19.288 28.338 -1.043 1.00 21.44 O ATOM 1137 CB GLU A 75 20.278 25.756 0.385 1.00 24.53 C ATOM 1138 CG GLU A 75 20.401 24.794 1.556 1.00 45.44 C ATOM 1139 CD GLU A 75 21.550 25.146 2.481 1.00 13.43 C ATOM 1140 OE1 GLU A 75 21.747 26.350 2.750 1.00 51.23 O ATOM 1141 OE2 GLU A 75 22.251 24.219 2.937 1.00 40.21 O ATOM 0 H GLU A 75 18.289 24.328 -0.030 1.00 64.42 H new ATOM 0 HA GLU A 75 18.628 26.949 1.071 1.00 33.42 H new ATOM 0 HB2 GLU A 75 20.569 25.240 -0.530 1.00 24.53 H new ATOM 0 HB3 GLU A 75 20.981 26.577 0.525 1.00 24.53 H new ATOM 0 HG2 GLU A 75 19.470 24.796 2.122 1.00 45.44 H new ATOM 0 HG3 GLU A 75 20.542 23.782 1.177 1.00 45.44 H new ATOM 1148 N LYS A 76 18.243 26.657 -2.111 1.00 70.42 N ATOM 1149 CA LYS A 76 18.127 27.382 -3.371 1.00 0.24 C ATOM 1150 C LYS A 76 16.863 28.236 -3.392 1.00 42.03 C ATOM 1151 O LYS A 76 16.818 29.278 -4.047 1.00 34.12 O ATOM 1152 CB LYS A 76 18.115 26.404 -4.547 1.00 75.23 C ATOM 1153 CG LYS A 76 16.718 26.023 -5.007 1.00 52.43 C ATOM 1154 CD LYS A 76 16.691 24.632 -5.617 1.00 20.34 C ATOM 1155 CE LYS A 76 16.469 24.686 -7.120 1.00 62.23 C ATOM 1156 NZ LYS A 76 16.731 23.370 -7.767 1.00 51.33 N ATOM 0 H LYS A 76 17.849 25.716 -2.129 1.00 70.42 H new ATOM 0 HA LYS A 76 18.991 28.040 -3.464 1.00 0.24 H new ATOM 0 HB2 LYS A 76 18.655 26.848 -5.383 1.00 75.23 H new ATOM 0 HB3 LYS A 76 18.654 25.500 -4.263 1.00 75.23 H new ATOM 0 HG2 LYS A 76 16.032 26.063 -4.161 1.00 52.43 H new ATOM 0 HG3 LYS A 76 16.365 26.749 -5.739 1.00 52.43 H new ATOM 0 HD2 LYS A 76 17.631 24.123 -5.405 1.00 20.34 H new ATOM 0 HD3 LYS A 76 15.899 24.045 -5.152 1.00 20.34 H new ATOM 0 HE2 LYS A 76 15.444 24.994 -7.325 1.00 62.23 H new ATOM 0 HE3 LYS A 76 17.122 25.442 -7.557 1.00 62.23 H new ATOM 0 HZ1 LYS A 76 17.407 23.495 -8.547 1.00 51.33 H new ATOM 0 HZ2 LYS A 76 17.128 22.712 -7.067 1.00 51.33 H new ATOM 0 HZ3 LYS A 76 15.841 22.983 -8.140 1.00 51.33 H new ATOM 1170 N TYR A 77 15.840 27.789 -2.672 1.00 65.02 N ATOM 1171 CA TYR A 77 14.576 28.512 -2.610 1.00 32.11 C ATOM 1172 C TYR A 77 14.492 29.354 -1.341 1.00 13.15 C ATOM 1173 O TYR A 77 13.646 30.240 -1.225 1.00 33.41 O ATOM 1174 CB TYR A 77 13.402 27.533 -2.665 1.00 14.24 C ATOM 1175 CG TYR A 77 13.370 26.695 -3.923 1.00 13.41 C ATOM 1176 CD1 TYR A 77 13.915 27.169 -5.110 1.00 51.01 C ATOM 1177 CD2 TYR A 77 12.794 25.431 -3.925 1.00 51.12 C ATOM 1178 CE1 TYR A 77 13.888 26.408 -6.262 1.00 74.45 C ATOM 1179 CE2 TYR A 77 12.763 24.662 -5.072 1.00 44.13 C ATOM 1180 CZ TYR A 77 13.311 25.155 -6.238 1.00 62.34 C ATOM 1181 OH TYR A 77 13.282 24.392 -7.384 1.00 14.34 O ATOM 0 H TYR A 77 15.862 26.929 -2.123 1.00 65.02 H new ATOM 0 HA TYR A 77 14.525 29.179 -3.471 1.00 32.11 H new ATOM 0 HB2 TYR A 77 13.450 26.872 -1.800 1.00 14.24 H new ATOM 0 HB3 TYR A 77 12.470 28.092 -2.587 1.00 14.24 H new ATOM 0 HD1 TYR A 77 14.367 28.149 -5.132 1.00 51.01 H new ATOM 0 HD2 TYR A 77 12.363 25.043 -3.014 1.00 51.12 H new ATOM 0 HE1 TYR A 77 14.316 26.791 -7.176 1.00 74.45 H new ATOM 0 HE2 TYR A 77 12.312 23.681 -5.056 1.00 44.13 H new ATOM 0 HH TYR A 77 12.842 23.537 -7.197 1.00 14.34 H new ATOM 1191 N ASN A 78 15.377 29.071 -0.390 1.00 71.45 N ATOM 1192 CA ASN A 78 15.404 29.801 0.871 1.00 1.24 C ATOM 1193 C ASN A 78 14.134 29.543 1.677 1.00 42.53 C ATOM 1194 O ASN A 78 13.296 30.431 1.836 1.00 4.33 O ATOM 1195 CB ASN A 78 15.562 31.301 0.613 1.00 21.11 C ATOM 1196 CG ASN A 78 15.730 32.094 1.895 1.00 74.11 C ATOM 1197 OD1 ASN A 78 14.982 33.036 2.157 1.00 42.40 O ATOM 1198 ND2 ASN A 78 16.715 31.715 2.701 1.00 74.53 N ATOM 0 H ASN A 78 16.085 28.341 -0.470 1.00 71.45 H new ATOM 0 HA ASN A 78 16.258 29.447 1.449 1.00 1.24 H new ATOM 0 HB2 ASN A 78 16.427 31.467 -0.030 1.00 21.11 H new ATOM 0 HB3 ASN A 78 14.689 31.668 0.074 1.00 21.11 H new ATOM 0 HD21 ASN A 78 16.876 32.211 3.578 1.00 74.53 H new ATOM 0 HD22 ASN A 78 17.311 30.928 2.443 1.00 74.53 H new ATOM 1205 N VAL A 79 13.999 28.322 2.183 1.00 75.21 N ATOM 1206 CA VAL A 79 12.832 27.947 2.973 1.00 21.13 C ATOM 1207 C VAL A 79 13.154 27.951 4.464 1.00 54.55 C ATOM 1208 O VAL A 79 12.263 28.100 5.300 1.00 41.44 O ATOM 1209 CB VAL A 79 12.309 26.554 2.576 1.00 24.53 C ATOM 1210 CG1 VAL A 79 12.489 26.321 1.084 1.00 70.11 C ATOM 1211 CG2 VAL A 79 13.013 25.472 3.381 1.00 23.44 C ATOM 0 H VAL A 79 14.683 27.575 2.060 1.00 75.21 H new ATOM 0 HA VAL A 79 12.060 28.688 2.768 1.00 21.13 H new ATOM 0 HB VAL A 79 11.243 26.508 2.801 1.00 24.53 H new ATOM 0 HG11 VAL A 79 12.114 25.332 0.822 1.00 70.11 H new ATOM 0 HG12 VAL A 79 11.935 27.078 0.528 1.00 70.11 H new ATOM 0 HG13 VAL A 79 13.547 26.386 0.831 1.00 70.11 H new ATOM 0 HG21 VAL A 79 12.631 24.494 3.088 1.00 23.44 H new ATOM 0 HG22 VAL A 79 14.085 25.515 3.189 1.00 23.44 H new ATOM 0 HG23 VAL A 79 12.828 25.630 4.443 1.00 23.44 H new ATOM 1221 N GLU A 80 14.432 27.788 4.788 1.00 23.21 N ATOM 1222 CA GLU A 80 14.871 27.773 6.179 1.00 72.23 C ATOM 1223 C GLU A 80 14.819 26.359 6.750 1.00 33.04 C ATOM 1224 O GLU A 80 15.852 25.729 6.971 1.00 64.45 O ATOM 1225 CB GLU A 80 14.001 28.708 7.021 1.00 33.21 C ATOM 1226 CG GLU A 80 13.648 30.008 6.319 1.00 50.30 C ATOM 1227 CD GLU A 80 14.165 31.228 7.056 1.00 12.35 C ATOM 1228 OE1 GLU A 80 13.454 31.725 7.955 1.00 73.32 O ATOM 1229 OE2 GLU A 80 15.281 31.686 6.735 1.00 43.43 O ATOM 0 H GLU A 80 15.182 27.665 4.107 1.00 23.21 H new ATOM 0 HA GLU A 80 15.903 28.122 6.212 1.00 72.23 H new ATOM 0 HB2 GLU A 80 13.081 28.189 7.291 1.00 33.21 H new ATOM 0 HB3 GLU A 80 14.522 28.937 7.950 1.00 33.21 H new ATOM 0 HG2 GLU A 80 14.061 29.996 5.310 1.00 50.30 H new ATOM 0 HG3 GLU A 80 12.565 30.080 6.219 1.00 50.30 H new ATOM 1236 N ALA A 81 13.607 25.868 6.989 1.00 21.10 N ATOM 1237 CA ALA A 81 13.419 24.529 7.534 1.00 61.14 C ATOM 1238 C ALA A 81 11.987 24.329 8.016 1.00 35.33 C ATOM 1239 O ALA A 81 11.750 24.062 9.194 1.00 23.12 O ATOM 1240 CB ALA A 81 14.401 24.278 8.669 1.00 54.31 C ATOM 0 H ALA A 81 12.741 26.378 6.814 1.00 21.10 H new ATOM 0 HA ALA A 81 13.610 23.809 6.738 1.00 61.14 H new ATOM 0 HB1 ALA A 81 14.249 23.274 9.066 1.00 54.31 H new ATOM 0 HB2 ALA A 81 15.421 24.370 8.295 1.00 54.31 H new ATOM 0 HB3 ALA A 81 14.238 25.010 9.460 1.00 54.31 H new ATOM 1246 N MET A 82 11.034 24.460 7.099 1.00 41.02 N ATOM 1247 CA MET A 82 9.624 24.293 7.432 1.00 22.31 C ATOM 1248 C MET A 82 8.879 23.587 6.304 1.00 52.44 C ATOM 1249 O MET A 82 9.407 23.385 5.210 1.00 52.00 O ATOM 1250 CB MET A 82 8.980 25.652 7.713 1.00 30.55 C ATOM 1251 CG MET A 82 9.987 26.773 7.907 1.00 3.32 C ATOM 1252 SD MET A 82 9.896 28.021 6.609 1.00 72.13 S ATOM 1253 CE MET A 82 9.962 26.991 5.145 1.00 41.34 C ATOM 0 H MET A 82 11.213 24.681 6.119 1.00 41.02 H new ATOM 0 HA MET A 82 9.558 23.676 8.328 1.00 22.31 H new ATOM 0 HB2 MET A 82 8.318 25.909 6.886 1.00 30.55 H new ATOM 0 HB3 MET A 82 8.360 25.573 8.606 1.00 30.55 H new ATOM 0 HG2 MET A 82 9.816 27.247 8.874 1.00 3.32 H new ATOM 0 HG3 MET A 82 10.992 26.353 7.932 1.00 3.32 H new ATOM 0 HE1 MET A 82 9.951 27.621 4.256 1.00 41.34 H new ATOM 0 HE2 MET A 82 10.876 26.398 5.158 1.00 41.34 H new ATOM 0 HE3 MET A 82 9.098 26.326 5.129 1.00 41.34 H new ATOM 1263 N PRO A 83 7.622 23.203 6.573 1.00 41.24 N ATOM 1264 CA PRO A 83 6.778 22.515 5.592 1.00 73.32 C ATOM 1265 C PRO A 83 6.357 23.429 4.446 1.00 62.41 C ATOM 1266 O PRO A 83 5.369 23.167 3.759 1.00 31.12 O ATOM 1267 CB PRO A 83 5.557 22.089 6.412 1.00 62.34 C ATOM 1268 CG PRO A 83 5.501 23.060 7.540 1.00 61.30 C ATOM 1269 CD PRO A 83 6.929 23.412 7.855 1.00 73.22 C ATOM 0 HA PRO A 83 7.300 21.685 5.116 1.00 73.32 H new ATOM 0 HB2 PRO A 83 4.646 22.124 5.814 1.00 62.34 H new ATOM 0 HB3 PRO A 83 5.661 21.066 6.775 1.00 62.34 H new ATOM 0 HG2 PRO A 83 4.932 23.948 7.263 1.00 61.30 H new ATOM 0 HG3 PRO A 83 5.006 22.623 8.407 1.00 61.30 H new ATOM 0 HD2 PRO A 83 7.023 24.442 8.199 1.00 73.22 H new ATOM 0 HD3 PRO A 83 7.336 22.775 8.640 1.00 73.22 H new ATOM 1277 N THR A 84 7.114 24.503 4.243 1.00 31.14 N ATOM 1278 CA THR A 84 6.819 25.456 3.181 1.00 2.11 C ATOM 1279 C THR A 84 6.514 24.741 1.870 1.00 65.03 C ATOM 1280 O THR A 84 7.281 23.886 1.425 1.00 54.25 O ATOM 1281 CB THR A 84 7.991 26.431 2.961 1.00 52.55 C ATOM 1282 OG1 THR A 84 7.794 27.617 3.739 1.00 24.03 O ATOM 1283 CG2 THR A 84 8.119 26.800 1.490 1.00 32.12 C ATOM 0 H THR A 84 7.936 24.734 4.801 1.00 31.14 H new ATOM 0 HA THR A 84 5.941 26.020 3.496 1.00 2.11 H new ATOM 0 HB THR A 84 8.910 25.937 3.277 1.00 52.55 H new ATOM 0 HG1 THR A 84 8.211 28.379 3.285 1.00 24.03 H new ATOM 0 HG21 THR A 84 8.953 27.489 1.359 1.00 32.12 H new ATOM 0 HG22 THR A 84 8.297 25.899 0.903 1.00 32.12 H new ATOM 0 HG23 THR A 84 7.198 27.276 1.153 1.00 32.12 H new ATOM 1291 N PHE A 85 5.391 25.096 1.255 1.00 44.35 N ATOM 1292 CA PHE A 85 4.985 24.488 -0.007 1.00 23.31 C ATOM 1293 C PHE A 85 5.562 25.257 -1.192 1.00 72.52 C ATOM 1294 O PHE A 85 4.868 25.514 -2.177 1.00 12.44 O ATOM 1295 CB PHE A 85 3.459 24.442 -0.108 1.00 2.33 C ATOM 1296 CG PHE A 85 2.896 23.051 -0.054 1.00 20.15 C ATOM 1297 CD1 PHE A 85 3.182 22.134 -1.052 1.00 42.11 C ATOM 1298 CD2 PHE A 85 2.080 22.660 0.996 1.00 51.12 C ATOM 1299 CE1 PHE A 85 2.666 20.853 -1.005 1.00 71.21 C ATOM 1300 CE2 PHE A 85 1.561 21.380 1.048 1.00 1.23 C ATOM 1301 CZ PHE A 85 1.853 20.476 0.046 1.00 24.21 C ATOM 0 H PHE A 85 4.746 25.802 1.610 1.00 44.35 H new ATOM 0 HA PHE A 85 5.374 23.470 -0.033 1.00 23.31 H new ATOM 0 HB2 PHE A 85 3.031 25.030 0.704 1.00 2.33 H new ATOM 0 HB3 PHE A 85 3.150 24.914 -1.041 1.00 2.33 H new ATOM 0 HD1 PHE A 85 3.816 22.424 -1.877 1.00 42.11 H new ATOM 0 HD2 PHE A 85 1.847 23.363 1.782 1.00 51.12 H new ATOM 0 HE1 PHE A 85 2.898 20.147 -1.789 1.00 71.21 H new ATOM 0 HE2 PHE A 85 0.927 21.087 1.872 1.00 1.23 H new ATOM 0 HZ PHE A 85 1.447 19.476 0.084 1.00 24.21 H new ATOM 1311 N LEU A 86 6.835 25.621 -1.090 1.00 63.43 N ATOM 1312 CA LEU A 86 7.507 26.361 -2.153 1.00 31.30 C ATOM 1313 C LEU A 86 6.928 26.001 -3.517 1.00 74.33 C ATOM 1314 O LEU A 86 6.611 24.841 -3.783 1.00 22.23 O ATOM 1315 CB LEU A 86 9.009 26.072 -2.132 1.00 10.33 C ATOM 1316 CG LEU A 86 9.924 27.255 -2.450 1.00 42.20 C ATOM 1317 CD1 LEU A 86 9.242 28.213 -3.415 1.00 5.03 C ATOM 1318 CD2 LEU A 86 10.325 27.978 -1.172 1.00 65.24 C ATOM 0 H LEU A 86 7.423 25.416 -0.282 1.00 63.43 H new ATOM 0 HA LEU A 86 7.345 27.425 -1.979 1.00 31.30 H new ATOM 0 HB2 LEU A 86 9.272 25.690 -1.145 1.00 10.33 H new ATOM 0 HB3 LEU A 86 9.216 25.276 -2.847 1.00 10.33 H new ATOM 0 HG LEU A 86 10.827 26.873 -2.926 1.00 42.20 H new ATOM 0 HD11 LEU A 86 9.908 29.049 -3.630 1.00 5.03 H new ATOM 0 HD12 LEU A 86 9.006 27.690 -4.342 1.00 5.03 H new ATOM 0 HD13 LEU A 86 8.322 28.588 -2.966 1.00 5.03 H new ATOM 0 HD21 LEU A 86 10.976 28.817 -1.418 1.00 65.24 H new ATOM 0 HD22 LEU A 86 9.432 28.347 -0.667 1.00 65.24 H new ATOM 0 HD23 LEU A 86 10.854 27.288 -0.515 1.00 65.24 H new ATOM 1330 N PHE A 87 6.793 27.002 -4.380 1.00 43.33 N ATOM 1331 CA PHE A 87 6.253 26.791 -5.718 1.00 44.24 C ATOM 1332 C PHE A 87 7.266 27.201 -6.784 1.00 74.12 C ATOM 1333 O PHE A 87 8.005 28.171 -6.613 1.00 33.20 O ATOM 1334 CB PHE A 87 4.957 27.583 -5.899 1.00 52.41 C ATOM 1335 CG PHE A 87 3.813 27.057 -5.080 1.00 25.23 C ATOM 1336 CD1 PHE A 87 3.808 27.200 -3.701 1.00 71.05 C ATOM 1337 CD2 PHE A 87 2.744 26.419 -5.688 1.00 1.05 C ATOM 1338 CE1 PHE A 87 2.757 26.716 -2.945 1.00 64.52 C ATOM 1339 CE2 PHE A 87 1.691 25.933 -4.936 1.00 75.14 C ATOM 1340 CZ PHE A 87 1.697 26.082 -3.563 1.00 51.45 C ATOM 0 H PHE A 87 7.050 27.968 -4.177 1.00 43.33 H new ATOM 0 HA PHE A 87 6.040 25.728 -5.833 1.00 44.24 H new ATOM 0 HB2 PHE A 87 5.137 28.624 -5.631 1.00 52.41 H new ATOM 0 HB3 PHE A 87 4.676 27.569 -6.952 1.00 52.41 H new ATOM 0 HD1 PHE A 87 4.634 27.695 -3.212 1.00 71.05 H new ATOM 0 HD2 PHE A 87 2.733 26.300 -6.761 1.00 1.05 H new ATOM 0 HE1 PHE A 87 2.765 26.834 -1.871 1.00 64.52 H new ATOM 0 HE2 PHE A 87 0.864 25.437 -5.422 1.00 75.14 H new ATOM 0 HZ PHE A 87 0.875 25.704 -2.974 1.00 51.45 H new ATOM 1350 N ILE A 88 7.293 26.455 -7.883 1.00 60.13 N ATOM 1351 CA ILE A 88 8.213 26.740 -8.977 1.00 5.21 C ATOM 1352 C ILE A 88 7.477 26.815 -10.310 1.00 51.40 C ATOM 1353 O ILE A 88 7.448 25.848 -11.072 1.00 1.53 O ATOM 1354 CB ILE A 88 9.320 25.674 -9.074 1.00 62.41 C ATOM 1355 CG1 ILE A 88 9.870 25.349 -7.683 1.00 53.35 C ATOM 1356 CG2 ILE A 88 10.436 26.150 -9.993 1.00 34.14 C ATOM 1357 CD1 ILE A 88 10.884 26.354 -7.185 1.00 45.42 C ATOM 0 H ILE A 88 6.688 25.649 -8.039 1.00 60.13 H new ATOM 0 HA ILE A 88 8.668 27.707 -8.762 1.00 5.21 H new ATOM 0 HB ILE A 88 8.891 24.765 -9.496 1.00 62.41 H new ATOM 0 HG12 ILE A 88 9.042 25.300 -6.976 1.00 53.35 H new ATOM 0 HG13 ILE A 88 10.330 24.361 -7.705 1.00 53.35 H new ATOM 0 HG21 ILE A 88 11.211 25.385 -10.051 1.00 34.14 H new ATOM 0 HG22 ILE A 88 10.033 26.335 -10.989 1.00 34.14 H new ATOM 0 HG23 ILE A 88 10.864 27.071 -9.598 1.00 34.14 H new ATOM 0 HD11 ILE A 88 11.231 26.061 -6.194 1.00 45.42 H new ATOM 0 HD12 ILE A 88 11.731 26.387 -7.871 1.00 45.42 H new ATOM 0 HD13 ILE A 88 10.423 27.340 -7.131 1.00 45.42 H new ATOM 1369 N LYS A 89 6.883 27.971 -10.587 1.00 41.22 N ATOM 1370 CA LYS A 89 6.148 28.176 -11.830 1.00 24.21 C ATOM 1371 C LYS A 89 7.092 28.570 -12.962 1.00 23.54 C ATOM 1372 O LYS A 89 7.813 29.563 -12.864 1.00 52.13 O ATOM 1373 CB LYS A 89 5.081 29.256 -11.643 1.00 55.01 C ATOM 1374 CG LYS A 89 4.639 29.906 -12.943 1.00 1.11 C ATOM 1375 CD LYS A 89 3.129 30.058 -13.006 1.00 35.42 C ATOM 1376 CE LYS A 89 2.595 30.830 -11.809 1.00 25.44 C ATOM 1377 NZ LYS A 89 1.316 31.524 -12.121 1.00 75.43 N ATOM 0 H LYS A 89 6.896 28.781 -9.967 1.00 41.22 H new ATOM 0 HA LYS A 89 5.663 27.236 -12.095 1.00 24.21 H new ATOM 0 HB2 LYS A 89 4.213 28.816 -11.153 1.00 55.01 H new ATOM 0 HB3 LYS A 89 5.468 30.025 -10.975 1.00 55.01 H new ATOM 0 HG2 LYS A 89 5.108 30.885 -13.039 1.00 1.11 H new ATOM 0 HG3 LYS A 89 4.980 29.305 -13.786 1.00 1.11 H new ATOM 0 HD2 LYS A 89 2.852 30.574 -13.926 1.00 35.42 H new ATOM 0 HD3 LYS A 89 2.664 29.073 -13.041 1.00 35.42 H new ATOM 0 HE2 LYS A 89 2.442 30.146 -10.975 1.00 25.44 H new ATOM 0 HE3 LYS A 89 3.337 31.562 -11.489 1.00 25.44 H new ATOM 0 HZ1 LYS A 89 0.986 32.038 -11.279 1.00 75.43 H new ATOM 0 HZ2 LYS A 89 1.467 32.196 -12.900 1.00 75.43 H new ATOM 0 HZ3 LYS A 89 0.600 30.823 -12.402 1.00 75.43 H new ATOM 1391 N ASP A 90 7.082 27.786 -14.034 1.00 70.30 N ATOM 1392 CA ASP A 90 7.935 28.054 -15.186 1.00 5.24 C ATOM 1393 C ASP A 90 9.343 27.512 -14.957 1.00 0.31 C ATOM 1394 O ASP A 90 10.160 27.471 -15.876 1.00 21.33 O ATOM 1395 CB ASP A 90 7.993 29.557 -15.465 1.00 63.22 C ATOM 1396 CG ASP A 90 8.180 29.865 -16.938 1.00 22.13 C ATOM 1397 OD1 ASP A 90 7.346 29.411 -17.749 1.00 4.31 O ATOM 1398 OD2 ASP A 90 9.161 30.559 -17.279 1.00 70.02 O ATOM 0 H ASP A 90 6.492 26.959 -14.129 1.00 70.30 H new ATOM 0 HA ASP A 90 7.506 27.548 -16.051 1.00 5.24 H new ATOM 0 HB2 ASP A 90 7.074 30.025 -15.113 1.00 63.22 H new ATOM 0 HB3 ASP A 90 8.813 29.998 -14.898 1.00 63.22 H new ATOM 1403 N GLY A 91 9.620 27.099 -13.724 1.00 34.42 N ATOM 1404 CA GLY A 91 10.929 26.566 -13.396 1.00 42.12 C ATOM 1405 C GLY A 91 11.812 27.585 -12.703 1.00 64.43 C ATOM 1406 O GLY A 91 12.969 27.772 -13.080 1.00 53.14 O ATOM 0 H GLY A 91 8.961 27.124 -12.946 1.00 34.42 H new ATOM 0 HA2 GLY A 91 10.812 25.694 -12.753 1.00 42.12 H new ATOM 0 HA3 GLY A 91 11.419 26.226 -14.309 1.00 42.12 H new ATOM 1410 N ALA A 92 11.266 28.246 -11.688 1.00 24.42 N ATOM 1411 CA ALA A 92 12.013 29.250 -10.941 1.00 12.24 C ATOM 1412 C ALA A 92 11.489 29.375 -9.514 1.00 32.00 C ATOM 1413 O ALA A 92 12.011 28.745 -8.595 1.00 14.13 O ATOM 1414 CB ALA A 92 11.944 30.595 -11.650 1.00 33.42 C ATOM 0 H ALA A 92 10.309 28.104 -11.364 1.00 24.42 H new ATOM 0 HA ALA A 92 13.054 28.930 -10.892 1.00 12.24 H new ATOM 0 HB1 ALA A 92 12.506 31.335 -11.081 1.00 33.42 H new ATOM 0 HB2 ALA A 92 12.372 30.503 -12.648 1.00 33.42 H new ATOM 0 HB3 ALA A 92 10.904 30.912 -11.729 1.00 33.42 H new ATOM 1420 N GLU A 93 10.455 30.192 -9.337 1.00 41.03 N ATOM 1421 CA GLU A 93 9.863 30.400 -8.021 1.00 74.42 C ATOM 1422 C GLU A 93 8.641 31.310 -8.112 1.00 31.50 C ATOM 1423 O GLU A 93 8.766 32.515 -8.325 1.00 2.11 O ATOM 1424 CB GLU A 93 10.892 31.003 -7.063 1.00 52.45 C ATOM 1425 CG GLU A 93 10.591 30.735 -5.599 1.00 20.25 C ATOM 1426 CD GLU A 93 11.821 30.850 -4.720 1.00 24.23 C ATOM 1427 OE1 GLU A 93 12.799 31.497 -5.151 1.00 21.44 O ATOM 1428 OE2 GLU A 93 11.807 30.293 -3.602 1.00 41.31 O ATOM 0 H GLU A 93 10.011 30.720 -10.088 1.00 41.03 H new ATOM 0 HA GLU A 93 9.545 29.431 -7.637 1.00 74.42 H new ATOM 0 HB2 GLU A 93 11.877 30.602 -7.302 1.00 52.45 H new ATOM 0 HB3 GLU A 93 10.939 32.080 -7.224 1.00 52.45 H new ATOM 0 HG2 GLU A 93 9.834 31.439 -5.253 1.00 20.25 H new ATOM 0 HG3 GLU A 93 10.168 29.736 -5.496 1.00 20.25 H new ATOM 1435 N ALA A 94 7.460 30.722 -7.949 1.00 52.43 N ATOM 1436 CA ALA A 94 6.216 31.479 -8.011 1.00 54.12 C ATOM 1437 C ALA A 94 5.823 32.003 -6.634 1.00 53.32 C ATOM 1438 O ALA A 94 5.227 33.074 -6.514 1.00 21.03 O ATOM 1439 CB ALA A 94 5.102 30.617 -8.588 1.00 11.44 C ATOM 0 H ALA A 94 7.339 29.725 -7.773 1.00 52.43 H new ATOM 0 HA ALA A 94 6.373 32.336 -8.666 1.00 54.12 H new ATOM 0 HB1 ALA A 94 4.179 31.195 -8.629 1.00 11.44 H new ATOM 0 HB2 ALA A 94 5.374 30.296 -9.594 1.00 11.44 H new ATOM 0 HB3 ALA A 94 4.955 29.742 -7.955 1.00 11.44 H new ATOM 1445 N ASP A 95 6.159 31.242 -5.599 1.00 0.13 N ATOM 1446 CA ASP A 95 5.841 31.630 -4.229 1.00 45.33 C ATOM 1447 C ASP A 95 5.821 30.413 -3.310 1.00 61.02 C ATOM 1448 O ASP A 95 6.051 29.286 -3.749 1.00 71.13 O ATOM 1449 CB ASP A 95 4.490 32.345 -4.180 1.00 2.15 C ATOM 1450 CG ASP A 95 4.634 33.854 -4.154 1.00 41.12 C ATOM 1451 OD1 ASP A 95 5.702 34.342 -3.728 1.00 21.42 O ATOM 1452 OD2 ASP A 95 3.679 34.548 -4.562 1.00 21.43 O ATOM 0 H ASP A 95 6.652 30.353 -5.682 1.00 0.13 H new ATOM 0 HA ASP A 95 6.617 32.312 -3.881 1.00 45.33 H new ATOM 0 HB2 ASP A 95 3.897 32.054 -5.047 1.00 2.15 H new ATOM 0 HB3 ASP A 95 3.942 32.020 -3.296 1.00 2.15 H new ATOM 1457 N LYS A 96 5.546 30.648 -2.032 1.00 35.22 N ATOM 1458 CA LYS A 96 5.495 29.572 -1.049 1.00 73.44 C ATOM 1459 C LYS A 96 4.156 29.565 -0.318 1.00 71.03 C ATOM 1460 O LYS A 96 3.261 30.349 -0.634 1.00 1.52 O ATOM 1461 CB LYS A 96 6.637 29.719 -0.042 1.00 22.51 C ATOM 1462 CG LYS A 96 7.931 30.223 -0.658 1.00 74.34 C ATOM 1463 CD LYS A 96 8.290 31.607 -0.146 1.00 51.41 C ATOM 1464 CE LYS A 96 9.390 31.546 0.902 1.00 21.33 C ATOM 1465 NZ LYS A 96 9.852 32.904 1.302 1.00 21.30 N ATOM 0 H LYS A 96 5.355 31.575 -1.652 1.00 35.22 H new ATOM 0 HA LYS A 96 5.605 28.625 -1.578 1.00 73.44 H new ATOM 0 HB2 LYS A 96 6.329 30.405 0.747 1.00 22.51 H new ATOM 0 HB3 LYS A 96 6.821 28.754 0.429 1.00 22.51 H new ATOM 0 HG2 LYS A 96 8.739 29.528 -0.429 1.00 74.34 H new ATOM 0 HG3 LYS A 96 7.832 30.250 -1.743 1.00 74.34 H new ATOM 0 HD2 LYS A 96 8.614 32.231 -0.979 1.00 51.41 H new ATOM 0 HD3 LYS A 96 7.405 32.079 0.281 1.00 51.41 H new ATOM 0 HE2 LYS A 96 9.025 31.013 1.780 1.00 21.33 H new ATOM 0 HE3 LYS A 96 10.233 30.976 0.511 1.00 21.33 H new ATOM 0 HZ1 LYS A 96 10.602 32.819 2.018 1.00 21.30 H new ATOM 0 HZ2 LYS A 96 10.224 33.404 0.469 1.00 21.30 H new ATOM 0 HZ3 LYS A 96 9.054 33.439 1.699 1.00 21.30 H new ATOM 1479 N VAL A 97 4.026 28.675 0.661 1.00 52.51 N ATOM 1480 CA VAL A 97 2.797 28.569 1.439 1.00 62.14 C ATOM 1481 C VAL A 97 3.065 27.955 2.808 1.00 61.51 C ATOM 1482 O VAL A 97 3.431 28.653 3.753 1.00 3.21 O ATOM 1483 CB VAL A 97 1.741 27.721 0.706 1.00 54.24 C ATOM 1484 CG1 VAL A 97 0.630 27.310 1.660 1.00 60.40 C ATOM 1485 CG2 VAL A 97 1.177 28.484 -0.484 1.00 3.44 C ATOM 0 H VAL A 97 4.756 28.017 0.934 1.00 52.51 H new ATOM 0 HA VAL A 97 2.414 29.582 1.567 1.00 62.14 H new ATOM 0 HB VAL A 97 2.222 26.816 0.334 1.00 54.24 H new ATOM 0 HG11 VAL A 97 -0.107 26.712 1.124 1.00 60.40 H new ATOM 0 HG12 VAL A 97 1.050 26.723 2.476 1.00 60.40 H new ATOM 0 HG13 VAL A 97 0.149 28.201 2.064 1.00 60.40 H new ATOM 0 HG21 VAL A 97 0.432 27.870 -0.990 1.00 3.44 H new ATOM 0 HG22 VAL A 97 0.711 29.407 -0.137 1.00 3.44 H new ATOM 0 HG23 VAL A 97 1.983 28.723 -1.178 1.00 3.44 H new ATOM 1495 N VAL A 98 2.880 26.642 2.908 1.00 65.11 N ATOM 1496 CA VAL A 98 3.104 25.932 4.162 1.00 72.25 C ATOM 1497 C VAL A 98 2.380 24.590 4.169 1.00 21.05 C ATOM 1498 O VAL A 98 1.205 24.504 3.814 1.00 4.24 O ATOM 1499 CB VAL A 98 2.633 26.764 5.369 1.00 21.33 C ATOM 1500 CG1 VAL A 98 1.914 25.881 6.378 1.00 25.04 C ATOM 1501 CG2 VAL A 98 3.811 27.477 6.016 1.00 71.10 C ATOM 0 H VAL A 98 2.576 26.049 2.136 1.00 65.11 H new ATOM 0 HA VAL A 98 4.178 25.763 4.244 1.00 72.25 H new ATOM 0 HB VAL A 98 1.930 27.519 5.017 1.00 21.33 H new ATOM 0 HG11 VAL A 98 1.588 26.486 7.224 1.00 25.04 H new ATOM 0 HG12 VAL A 98 1.046 25.421 5.906 1.00 25.04 H new ATOM 0 HG13 VAL A 98 2.592 25.102 6.728 1.00 25.04 H new ATOM 0 HG21 VAL A 98 3.460 28.060 6.867 1.00 71.10 H new ATOM 0 HG22 VAL A 98 4.540 26.741 6.356 1.00 71.10 H new ATOM 0 HG23 VAL A 98 4.278 28.141 5.289 1.00 71.10 H new ATOM 1511 N GLY A 99 3.091 23.543 4.578 1.00 74.20 N ATOM 1512 CA GLY A 99 2.500 22.218 4.625 1.00 15.32 C ATOM 1513 C GLY A 99 1.759 21.960 5.922 1.00 30.32 C ATOM 1514 O GLY A 99 1.917 20.904 6.535 1.00 54.21 O ATOM 0 H GLY A 99 4.065 23.589 4.877 1.00 74.20 H new ATOM 0 HA2 GLY A 99 1.812 22.100 3.788 1.00 15.32 H new ATOM 0 HA3 GLY A 99 3.283 21.470 4.502 1.00 15.32 H new ATOM 1518 N ALA A 100 0.950 22.927 6.343 1.00 71.43 N ATOM 1519 CA ALA A 100 0.182 22.798 7.575 1.00 3.22 C ATOM 1520 C ALA A 100 -1.018 23.739 7.575 1.00 3.10 C ATOM 1521 O ALA A 100 -1.591 24.029 8.625 1.00 12.01 O ATOM 1522 CB ALA A 100 1.070 23.072 8.781 1.00 74.45 C ATOM 0 H ALA A 100 0.810 23.808 5.849 1.00 71.43 H new ATOM 0 HA ALA A 100 -0.191 21.776 7.636 1.00 3.22 H new ATOM 0 HB1 ALA A 100 0.484 22.972 9.695 1.00 74.45 H new ATOM 0 HB2 ALA A 100 1.892 22.357 8.797 1.00 74.45 H new ATOM 0 HB3 ALA A 100 1.471 24.084 8.716 1.00 74.45 H new ATOM 1528 N ARG A 101 -1.392 24.213 6.391 1.00 3.42 N ATOM 1529 CA ARG A 101 -2.523 25.123 6.255 1.00 4.54 C ATOM 1530 C ARG A 101 -3.498 24.624 5.194 1.00 33.40 C ATOM 1531 O ARG A 101 -3.162 24.547 4.012 1.00 2.31 O ATOM 1532 CB ARG A 101 -2.034 26.527 5.894 1.00 53.42 C ATOM 1533 CG ARG A 101 -2.012 27.487 7.073 1.00 65.34 C ATOM 1534 CD ARG A 101 -1.289 26.884 8.267 1.00 5.41 C ATOM 1535 NE ARG A 101 -0.852 27.906 9.215 1.00 14.11 N ATOM 1536 CZ ARG A 101 0.070 27.697 10.148 1.00 12.30 C ATOM 1537 NH1 ARG A 101 0.650 26.510 10.257 1.00 4.40 N ATOM 1538 NH2 ARG A 101 0.413 28.677 10.974 1.00 5.31 N ATOM 0 H ARG A 101 -0.928 23.982 5.512 1.00 3.42 H new ATOM 0 HA ARG A 101 -3.043 25.161 7.212 1.00 4.54 H new ATOM 0 HB2 ARG A 101 -1.030 26.456 5.475 1.00 53.42 H new ATOM 0 HB3 ARG A 101 -2.676 26.937 5.115 1.00 53.42 H new ATOM 0 HG2 ARG A 101 -1.521 28.415 6.779 1.00 65.34 H new ATOM 0 HG3 ARG A 101 -3.033 27.742 7.355 1.00 65.34 H new ATOM 0 HD2 ARG A 101 -1.949 26.179 8.772 1.00 5.41 H new ATOM 0 HD3 ARG A 101 -0.425 26.318 7.920 1.00 5.41 H new ATOM 0 HE ARG A 101 -1.278 28.831 9.157 1.00 14.11 H new ATOM 0 HH11 ARG A 101 0.389 25.755 9.624 1.00 4.40 H new ATOM 0 HH12 ARG A 101 1.358 26.352 10.974 1.00 4.40 H new ATOM 0 HH21 ARG A 101 -0.031 29.591 10.893 1.00 5.31 H new ATOM 0 HH22 ARG A 101 1.121 28.516 11.690 1.00 5.31 H new ATOM 1552 N LYS A 102 -4.709 24.283 5.624 1.00 43.53 N ATOM 1553 CA LYS A 102 -5.735 23.791 4.712 1.00 44.41 C ATOM 1554 C LYS A 102 -6.515 24.948 4.096 1.00 52.11 C ATOM 1555 O LYS A 102 -7.526 24.739 3.425 1.00 51.51 O ATOM 1556 CB LYS A 102 -6.692 22.851 5.448 1.00 64.11 C ATOM 1557 CG LYS A 102 -6.955 21.550 4.709 1.00 43.43 C ATOM 1558 CD LYS A 102 -8.249 21.612 3.915 1.00 32.14 C ATOM 1559 CE LYS A 102 -9.379 20.893 4.636 1.00 32.41 C ATOM 1560 NZ LYS A 102 -10.119 19.973 3.728 1.00 31.34 N ATOM 0 H LYS A 102 -5.004 24.339 6.599 1.00 43.53 H new ATOM 0 HA LYS A 102 -5.241 23.242 3.911 1.00 44.41 H new ATOM 0 HB2 LYS A 102 -6.280 22.624 6.431 1.00 64.11 H new ATOM 0 HB3 LYS A 102 -7.639 23.365 5.610 1.00 64.11 H new ATOM 0 HG2 LYS A 102 -6.124 21.338 4.036 1.00 43.43 H new ATOM 0 HG3 LYS A 102 -7.004 20.728 5.423 1.00 43.43 H new ATOM 0 HD2 LYS A 102 -8.526 22.653 3.749 1.00 32.14 H new ATOM 0 HD3 LYS A 102 -8.097 21.162 2.934 1.00 32.14 H new ATOM 0 HE2 LYS A 102 -8.973 20.327 5.474 1.00 32.41 H new ATOM 0 HE3 LYS A 102 -10.070 21.627 5.051 1.00 32.41 H new ATOM 0 HZ1 LYS A 102 -10.881 19.502 4.257 1.00 31.34 H new ATOM 0 HZ2 LYS A 102 -10.528 20.516 2.941 1.00 31.34 H new ATOM 0 HZ3 LYS A 102 -9.465 19.257 3.351 1.00 31.34 H new ATOM 1574 N ASP A 103 -6.039 26.166 4.327 1.00 11.51 N ATOM 1575 CA ASP A 103 -6.691 27.356 3.793 1.00 52.35 C ATOM 1576 C ASP A 103 -5.710 28.194 2.978 1.00 13.01 C ATOM 1577 O ASP A 103 -6.106 29.128 2.281 1.00 12.41 O ATOM 1578 CB ASP A 103 -7.278 28.196 4.928 1.00 1.12 C ATOM 1579 CG ASP A 103 -7.900 29.487 4.432 1.00 31.42 C ATOM 1580 OD1 ASP A 103 -8.901 29.416 3.688 1.00 64.42 O ATOM 1581 OD2 ASP A 103 -7.387 30.568 4.789 1.00 31.40 O ATOM 0 H ASP A 103 -5.204 26.356 4.881 1.00 11.51 H new ATOM 0 HA ASP A 103 -7.499 27.033 3.136 1.00 52.35 H new ATOM 0 HB2 ASP A 103 -8.032 27.612 5.455 1.00 1.12 H new ATOM 0 HB3 ASP A 103 -6.493 28.428 5.648 1.00 1.12 H new ATOM 1586 N ASP A 104 -4.430 27.854 3.072 1.00 24.22 N ATOM 1587 CA ASP A 104 -3.392 28.574 2.344 1.00 4.43 C ATOM 1588 C ASP A 104 -2.864 27.740 1.182 1.00 61.44 C ATOM 1589 O ASP A 104 -2.298 28.273 0.227 1.00 51.45 O ATOM 1590 CB ASP A 104 -2.244 28.945 3.284 1.00 4.33 C ATOM 1591 CG ASP A 104 -1.861 30.409 3.182 1.00 71.32 C ATOM 1592 OD1 ASP A 104 -2.697 31.208 2.712 1.00 41.43 O ATOM 1593 OD2 ASP A 104 -0.726 30.754 3.571 1.00 45.33 O ATOM 0 H ASP A 104 -4.086 27.084 3.645 1.00 24.22 H new ATOM 0 HA ASP A 104 -3.832 29.487 1.942 1.00 4.43 H new ATOM 0 HB2 ASP A 104 -2.532 28.719 4.311 1.00 4.33 H new ATOM 0 HB3 ASP A 104 -1.375 28.328 3.053 1.00 4.33 H new ATOM 1598 N LEU A 105 -3.052 26.427 1.269 1.00 3.42 N ATOM 1599 CA LEU A 105 -2.594 25.518 0.225 1.00 62.42 C ATOM 1600 C LEU A 105 -3.533 25.551 -0.977 1.00 2.22 C ATOM 1601 O LEU A 105 -3.223 26.159 -2.001 1.00 13.42 O ATOM 1602 CB LEU A 105 -2.496 24.092 0.770 1.00 24.21 C ATOM 1603 CG LEU A 105 -2.251 22.993 -0.265 1.00 24.15 C ATOM 1604 CD1 LEU A 105 -0.839 23.089 -0.821 1.00 42.25 C ATOM 1605 CD2 LEU A 105 -2.492 21.621 0.348 1.00 71.24 C ATOM 0 H LEU A 105 -3.518 25.969 2.052 1.00 3.42 H new ATOM 0 HA LEU A 105 -1.606 25.846 -0.100 1.00 62.42 H new ATOM 0 HB2 LEU A 105 -1.690 24.059 1.503 1.00 24.21 H new ATOM 0 HB3 LEU A 105 -3.420 23.863 1.302 1.00 24.21 H new ATOM 0 HG LEU A 105 -2.953 23.131 -1.087 1.00 24.15 H new ATOM 0 HD11 LEU A 105 -0.683 22.299 -1.556 1.00 42.25 H new ATOM 0 HD12 LEU A 105 -0.701 24.060 -1.297 1.00 42.25 H new ATOM 0 HD13 LEU A 105 -0.120 22.977 -0.009 1.00 42.25 H new ATOM 0 HD21 LEU A 105 -2.313 20.851 -0.402 1.00 71.24 H new ATOM 0 HD22 LEU A 105 -1.813 21.474 1.188 1.00 71.24 H new ATOM 0 HD23 LEU A 105 -3.522 21.555 0.698 1.00 71.24 H new ATOM 1617 N GLN A 106 -4.681 24.895 -0.842 1.00 50.44 N ATOM 1618 CA GLN A 106 -5.666 24.852 -1.917 1.00 64.10 C ATOM 1619 C GLN A 106 -5.907 26.244 -2.491 1.00 1.21 C ATOM 1620 O GLN A 106 -6.395 26.388 -3.611 1.00 12.22 O ATOM 1621 CB GLN A 106 -6.982 24.262 -1.408 1.00 1.13 C ATOM 1622 CG GLN A 106 -7.636 25.089 -0.313 1.00 1.52 C ATOM 1623 CD GLN A 106 -6.659 25.499 0.771 1.00 1.35 C ATOM 1624 OE1 GLN A 106 -6.459 26.687 1.026 1.00 1.22 O ATOM 1625 NE2 GLN A 106 -6.044 24.515 1.417 1.00 11.43 N ATOM 0 H GLN A 106 -4.952 24.387 -0.000 1.00 50.44 H new ATOM 0 HA GLN A 106 -5.273 24.215 -2.710 1.00 64.10 H new ATOM 0 HB2 GLN A 106 -7.675 24.167 -2.244 1.00 1.13 H new ATOM 0 HB3 GLN A 106 -6.798 23.256 -1.031 1.00 1.13 H new ATOM 0 HG2 GLN A 106 -8.080 25.982 -0.753 1.00 1.52 H new ATOM 0 HG3 GLN A 106 -8.449 24.516 0.133 1.00 1.52 H new ATOM 0 HE21 GLN A 106 -6.240 23.544 1.173 1.00 11.43 H new ATOM 0 HE22 GLN A 106 -5.376 24.730 2.157 1.00 11.43 H new ATOM 1634 N ASN A 107 -5.561 27.267 -1.715 1.00 74.42 N ATOM 1635 CA ASN A 107 -5.742 28.648 -2.146 1.00 44.13 C ATOM 1636 C ASN A 107 -4.605 29.084 -3.066 1.00 25.34 C ATOM 1637 O ASN A 107 -4.807 29.864 -3.997 1.00 34.32 O ATOM 1638 CB ASN A 107 -5.816 29.577 -0.933 1.00 40.41 C ATOM 1639 CG ASN A 107 -5.362 30.988 -1.256 1.00 71.24 C ATOM 1640 OD1 ASN A 107 -6.179 31.866 -1.534 1.00 3.43 O ATOM 1641 ND2 ASN A 107 -4.053 31.210 -1.222 1.00 54.44 N ATOM 0 H ASN A 107 -5.154 27.165 -0.785 1.00 74.42 H new ATOM 0 HA ASN A 107 -6.678 28.710 -2.700 1.00 44.13 H new ATOM 0 HB2 ASN A 107 -6.840 29.604 -0.562 1.00 40.41 H new ATOM 0 HB3 ASN A 107 -5.197 29.174 -0.132 1.00 40.41 H new ATOM 0 HD21 ASN A 107 -3.688 32.139 -1.431 1.00 54.44 H new ATOM 0 HD22 ASN A 107 -3.413 30.452 -0.986 1.00 54.44 H new ATOM 1648 N THR A 108 -3.406 28.574 -2.798 1.00 71.12 N ATOM 1649 CA THR A 108 -2.236 28.910 -3.600 1.00 34.10 C ATOM 1650 C THR A 108 -2.203 28.100 -4.891 1.00 34.42 C ATOM 1651 O THR A 108 -1.874 28.624 -5.955 1.00 70.22 O ATOM 1652 CB THR A 108 -0.931 28.665 -2.820 1.00 32.53 C ATOM 1653 OG1 THR A 108 -0.801 29.627 -1.768 1.00 3.50 O ATOM 1654 CG2 THR A 108 0.275 28.748 -3.743 1.00 20.21 C ATOM 0 H THR A 108 -3.220 27.927 -2.032 1.00 71.12 H new ATOM 0 HA THR A 108 -2.313 29.970 -3.842 1.00 34.10 H new ATOM 0 HB THR A 108 -0.972 27.663 -2.392 1.00 32.53 H new ATOM 0 HG1 THR A 108 -1.278 29.309 -0.973 1.00 3.50 H new ATOM 0 HG21 THR A 108 1.185 28.572 -3.169 1.00 20.21 H new ATOM 0 HG22 THR A 108 0.187 27.994 -4.525 1.00 20.21 H new ATOM 0 HG23 THR A 108 0.318 29.738 -4.197 1.00 20.21 H new ATOM 1662 N ILE A 109 -2.547 26.820 -4.790 1.00 0.14 N ATOM 1663 CA ILE A 109 -2.558 25.939 -5.950 1.00 71.44 C ATOM 1664 C ILE A 109 -3.546 26.429 -7.004 1.00 4.12 C ATOM 1665 O ILE A 109 -3.381 26.166 -8.195 1.00 72.40 O ATOM 1666 CB ILE A 109 -2.920 24.494 -5.557 1.00 1.21 C ATOM 1667 CG1 ILE A 109 -1.714 23.798 -4.923 1.00 10.04 C ATOM 1668 CG2 ILE A 109 -3.406 23.720 -6.773 1.00 12.01 C ATOM 1669 CD1 ILE A 109 -1.508 24.153 -3.467 1.00 33.14 C ATOM 0 H ILE A 109 -2.822 26.371 -3.916 1.00 0.14 H new ATOM 0 HA ILE A 109 -1.550 25.953 -6.365 1.00 71.44 H new ATOM 0 HB ILE A 109 -3.726 24.524 -4.824 1.00 1.21 H new ATOM 0 HG12 ILE A 109 -1.840 22.719 -5.011 1.00 10.04 H new ATOM 0 HG13 ILE A 109 -0.817 24.061 -5.483 1.00 10.04 H new ATOM 0 HG21 ILE A 109 -3.658 22.701 -6.479 1.00 12.01 H new ATOM 0 HG22 ILE A 109 -4.289 24.207 -7.185 1.00 12.01 H new ATOM 0 HG23 ILE A 109 -2.619 23.696 -7.527 1.00 12.01 H new ATOM 0 HD11 ILE A 109 -0.636 23.623 -3.083 1.00 33.14 H new ATOM 0 HD12 ILE A 109 -1.350 25.227 -3.373 1.00 33.14 H new ATOM 0 HD13 ILE A 109 -2.389 23.864 -2.894 1.00 33.14 H new ATOM 1681 N VAL A 110 -4.572 27.146 -6.557 1.00 3.23 N ATOM 1682 CA VAL A 110 -5.585 27.677 -7.461 1.00 30.02 C ATOM 1683 C VAL A 110 -5.087 28.931 -8.169 1.00 45.43 C ATOM 1684 O VAL A 110 -5.501 29.232 -9.289 1.00 12.21 O ATOM 1685 CB VAL A 110 -6.889 28.008 -6.710 1.00 44.23 C ATOM 1686 CG1 VAL A 110 -7.461 26.759 -6.058 1.00 14.44 C ATOM 1687 CG2 VAL A 110 -6.645 29.097 -5.676 1.00 35.21 C ATOM 0 H VAL A 110 -4.724 27.372 -5.574 1.00 3.23 H new ATOM 0 HA VAL A 110 -5.787 26.902 -8.201 1.00 30.02 H new ATOM 0 HB VAL A 110 -7.619 28.379 -7.429 1.00 44.23 H new ATOM 0 HG11 VAL A 110 -8.382 27.012 -5.532 1.00 14.44 H new ATOM 0 HG12 VAL A 110 -7.674 26.014 -6.824 1.00 14.44 H new ATOM 0 HG13 VAL A 110 -6.738 26.355 -5.349 1.00 14.44 H new ATOM 0 HG21 VAL A 110 -7.576 29.319 -5.155 1.00 35.21 H new ATOM 0 HG22 VAL A 110 -5.899 28.756 -4.958 1.00 35.21 H new ATOM 0 HG23 VAL A 110 -6.285 29.997 -6.174 1.00 35.21 H new ATOM 1697 N LYS A 111 -4.193 29.661 -7.510 1.00 11.11 N ATOM 1698 CA LYS A 111 -3.635 30.883 -8.076 1.00 1.40 C ATOM 1699 C LYS A 111 -2.505 30.565 -9.050 1.00 3.34 C ATOM 1700 O LYS A 111 -2.254 31.317 -9.992 1.00 43.12 O ATOM 1701 CB LYS A 111 -3.120 31.797 -6.962 1.00 12.34 C ATOM 1702 CG LYS A 111 -1.616 31.728 -6.764 1.00 42.14 C ATOM 1703 CD LYS A 111 -1.225 32.067 -5.336 1.00 25.13 C ATOM 1704 CE LYS A 111 -0.793 33.519 -5.206 1.00 4.53 C ATOM 1705 NZ LYS A 111 0.378 33.671 -4.298 1.00 65.23 N ATOM 0 H LYS A 111 -3.839 29.427 -6.582 1.00 11.11 H new ATOM 0 HA LYS A 111 -4.427 31.396 -8.621 1.00 1.40 H new ATOM 0 HB2 LYS A 111 -3.401 32.825 -7.189 1.00 12.34 H new ATOM 0 HB3 LYS A 111 -3.613 31.530 -6.027 1.00 12.34 H new ATOM 0 HG2 LYS A 111 -1.261 30.728 -7.011 1.00 42.14 H new ATOM 0 HG3 LYS A 111 -1.126 32.419 -7.450 1.00 42.14 H new ATOM 0 HD2 LYS A 111 -2.068 31.876 -4.672 1.00 25.13 H new ATOM 0 HD3 LYS A 111 -0.413 31.415 -5.015 1.00 25.13 H new ATOM 0 HE2 LYS A 111 -0.542 33.913 -6.191 1.00 4.53 H new ATOM 0 HE3 LYS A 111 -1.625 34.113 -4.828 1.00 4.53 H new ATOM 0 HZ1 LYS A 111 0.641 34.675 -4.236 1.00 65.23 H new ATOM 0 HZ2 LYS A 111 0.131 33.319 -3.351 1.00 65.23 H new ATOM 0 HZ3 LYS A 111 1.180 33.125 -4.672 1.00 65.23 H new ATOM 1719 N HIS A 112 -1.826 29.446 -8.817 1.00 13.13 N ATOM 1720 CA HIS A 112 -0.724 29.028 -9.675 1.00 63.31 C ATOM 1721 C HIS A 112 -1.173 27.940 -10.646 1.00 35.13 C ATOM 1722 O HIS A 112 -0.860 27.987 -11.835 1.00 72.24 O ATOM 1723 CB HIS A 112 0.445 28.521 -8.829 1.00 41.44 C ATOM 1724 CG HIS A 112 0.899 29.498 -7.789 1.00 0.41 C ATOM 1725 ND1 HIS A 112 1.345 29.303 -6.526 1.00 5.45 N flip ATOM 1726 CD2 HIS A 112 0.924 30.861 -7.997 1.00 43.30 C flip ATOM 1727 CE1 HIS A 112 1.630 30.539 -5.999 1.00 44.30 C flip ATOM 1728 NE2 HIS A 112 1.368 31.462 -6.907 1.00 45.15 N flip ATOM 0 H HIS A 112 -2.020 28.813 -8.041 1.00 13.13 H new ATOM 0 HA HIS A 112 -0.398 29.893 -10.252 1.00 63.31 H new ATOM 0 HB2 HIS A 112 0.153 27.592 -8.340 1.00 41.44 H new ATOM 0 HB3 HIS A 112 1.283 28.286 -9.485 1.00 41.44 H new ATOM 0 HD1 HIS A 112 1.450 28.405 -6.053 1.00 5.45 H new ATOM 0 HD2 HIS A 112 0.627 31.359 -8.908 1.00 43.30 H new ATOM 0 HE1 HIS A 112 2.007 30.726 -5.004 1.00 44.30 H new ATOM 1736 N VAL A 113 -1.909 26.960 -10.130 1.00 12.42 N ATOM 1737 CA VAL A 113 -2.402 25.861 -10.951 1.00 33.13 C ATOM 1738 C VAL A 113 -3.837 26.111 -11.400 1.00 53.43 C ATOM 1739 O VAL A 113 -4.250 25.668 -12.471 1.00 43.44 O ATOM 1740 CB VAL A 113 -2.340 24.522 -10.192 1.00 11.13 C ATOM 1741 CG1 VAL A 113 -2.388 23.354 -11.165 1.00 30.24 C ATOM 1742 CG2 VAL A 113 -1.089 24.457 -9.329 1.00 31.12 C ATOM 0 H VAL A 113 -2.177 26.905 -9.147 1.00 12.42 H new ATOM 0 HA VAL A 113 -1.755 25.805 -11.826 1.00 33.13 H new ATOM 0 HB VAL A 113 -3.209 24.454 -9.538 1.00 11.13 H new ATOM 0 HG11 VAL A 113 -2.343 22.417 -10.611 1.00 30.24 H new ATOM 0 HG12 VAL A 113 -3.316 23.394 -11.736 1.00 30.24 H new ATOM 0 HG13 VAL A 113 -1.540 23.413 -11.847 1.00 30.24 H new ATOM 0 HG21 VAL A 113 -1.061 23.504 -8.800 1.00 31.12 H new ATOM 0 HG22 VAL A 113 -0.206 24.547 -9.961 1.00 31.12 H new ATOM 0 HG23 VAL A 113 -1.103 25.273 -8.607 1.00 31.12 H new ATOM 1752 N GLY A 114 -4.595 26.826 -10.574 1.00 3.24 N ATOM 1753 CA GLY A 114 -5.976 27.124 -10.904 1.00 12.14 C ATOM 1754 C GLY A 114 -6.115 28.386 -11.732 1.00 12.24 C ATOM 1755 O GLY A 114 -7.184 28.667 -12.272 1.00 54.22 O ATOM 0 H GLY A 114 -4.277 27.204 -9.682 1.00 3.24 H new ATOM 0 HA2 GLY A 114 -6.405 26.285 -11.452 1.00 12.14 H new ATOM 0 HA3 GLY A 114 -6.551 27.231 -9.984 1.00 12.14 H new ATOM 1759 N ALA A 115 -5.032 29.150 -11.830 1.00 20.11 N ATOM 1760 CA ALA A 115 -5.038 30.389 -12.598 1.00 22.31 C ATOM 1761 C ALA A 115 -6.167 31.309 -12.147 1.00 73.22 C ATOM 1762 O ALA A 115 -7.336 31.073 -12.456 1.00 62.32 O ATOM 1763 CB ALA A 115 -5.161 30.088 -14.084 1.00 70.43 C ATOM 0 H ALA A 115 -4.139 28.933 -11.387 1.00 20.11 H new ATOM 0 HA ALA A 115 -4.093 30.903 -12.420 1.00 22.31 H new ATOM 0 HB1 ALA A 115 -5.164 31.022 -14.645 1.00 70.43 H new ATOM 0 HB2 ALA A 115 -4.317 29.476 -14.402 1.00 70.43 H new ATOM 0 HB3 ALA A 115 -6.090 29.549 -14.270 1.00 70.43 H new ATOM 1769 N THR A 116 -5.812 32.359 -11.414 1.00 1.13 N ATOM 1770 CA THR A 116 -6.796 33.314 -10.919 1.00 23.33 C ATOM 1771 C THR A 116 -7.419 32.833 -9.613 1.00 54.43 C ATOM 1772 O THR A 116 -8.616 32.554 -9.552 1.00 73.13 O ATOM 1773 CB THR A 116 -7.914 33.554 -11.951 1.00 4.34 C ATOM 1774 OG1 THR A 116 -7.371 33.527 -13.276 1.00 14.54 O ATOM 1775 CG2 THR A 116 -8.599 34.890 -11.705 1.00 2.15 C ATOM 0 H THR A 116 -4.850 32.570 -11.150 1.00 1.13 H new ATOM 0 HA THR A 116 -6.268 34.251 -10.743 1.00 23.33 H new ATOM 0 HB THR A 116 -8.653 32.760 -11.845 1.00 4.34 H new ATOM 0 HG1 THR A 116 -7.445 32.621 -13.642 1.00 14.54 H new ATOM 0 HG21 THR A 116 -9.385 35.038 -12.446 1.00 2.15 H new ATOM 0 HG22 THR A 116 -9.036 34.896 -10.706 1.00 2.15 H new ATOM 0 HG23 THR A 116 -7.868 35.694 -11.786 1.00 2.15 H new ATOM 1783 N ALA A 117 -6.601 32.740 -8.571 1.00 4.33 N ATOM 1784 CA ALA A 117 -7.073 32.296 -7.265 1.00 53.33 C ATOM 1785 C ALA A 117 -8.525 32.706 -7.038 1.00 45.05 C ATOM 1786 O ALA A 117 -8.852 33.892 -7.042 1.00 52.22 O ATOM 1787 CB ALA A 117 -6.186 32.857 -6.164 1.00 11.32 C ATOM 0 H ALA A 117 -5.607 32.966 -8.605 1.00 4.33 H new ATOM 0 HA ALA A 117 -7.021 31.208 -7.238 1.00 53.33 H new ATOM 0 HB1 ALA A 117 -6.550 32.517 -5.195 1.00 11.32 H new ATOM 0 HB2 ALA A 117 -5.163 32.510 -6.309 1.00 11.32 H new ATOM 0 HB3 ALA A 117 -6.208 33.946 -6.198 1.00 11.32 H new ATOM 1793 N ALA A 118 -9.390 31.717 -6.842 1.00 70.20 N ATOM 1794 CA ALA A 118 -10.806 31.975 -6.612 1.00 51.13 C ATOM 1795 C ALA A 118 -11.006 33.231 -5.770 1.00 64.42 C ATOM 1796 O ALA A 118 -11.768 34.124 -6.141 1.00 24.53 O ATOM 1797 CB ALA A 118 -11.459 30.777 -5.940 1.00 22.35 C ATOM 0 H ALA A 118 -9.135 30.729 -6.838 1.00 70.20 H new ATOM 0 HA ALA A 118 -11.281 32.138 -7.579 1.00 51.13 H new ATOM 0 HB1 ALA A 118 -12.516 30.984 -5.774 1.00 22.35 H new ATOM 0 HB2 ALA A 118 -11.357 29.900 -6.580 1.00 22.35 H new ATOM 0 HB3 ALA A 118 -10.973 30.587 -4.983 1.00 22.35 H new ATOM 1803 N SER A 119 -10.317 33.292 -4.635 1.00 64.11 N ATOM 1804 CA SER A 119 -10.422 34.437 -3.738 1.00 21.41 C ATOM 1805 C SER A 119 -11.846 34.584 -3.210 1.00 23.31 C ATOM 1806 O SER A 119 -12.675 35.266 -3.811 1.00 2.11 O ATOM 1807 CB SER A 119 -9.998 35.718 -4.459 1.00 74.52 C ATOM 1808 OG SER A 119 -8.699 35.587 -5.010 1.00 11.13 O ATOM 0 H SER A 119 -9.680 32.562 -4.315 1.00 64.11 H new ATOM 0 HA SER A 119 -9.755 34.267 -2.893 1.00 21.41 H new ATOM 0 HB2 SER A 119 -10.711 35.946 -5.251 1.00 74.52 H new ATOM 0 HB3 SER A 119 -10.018 36.555 -3.761 1.00 74.52 H new ATOM 0 HG SER A 119 -8.716 34.927 -5.734 1.00 11.13 H new ATOM 1814 N ALA A 120 -12.121 33.938 -2.081 1.00 52.14 N ATOM 1815 CA ALA A 120 -13.443 33.998 -1.470 1.00 72.13 C ATOM 1816 C ALA A 120 -13.349 33.927 0.050 1.00 1.00 C ATOM 1817 O ALA A 120 -12.444 33.297 0.597 1.00 62.23 O ATOM 1818 CB ALA A 120 -14.321 32.873 -2.000 1.00 3.24 C ATOM 0 H ALA A 120 -11.446 33.368 -1.572 1.00 52.14 H new ATOM 0 HA ALA A 120 -13.896 34.953 -1.735 1.00 72.13 H new ATOM 0 HB1 ALA A 120 -15.305 32.930 -1.535 1.00 3.24 H new ATOM 0 HB2 ALA A 120 -14.424 32.970 -3.081 1.00 3.24 H new ATOM 0 HB3 ALA A 120 -13.863 31.912 -1.764 1.00 3.24 H new ATOM 1824 N SER A 121 -14.289 34.578 0.728 1.00 51.04 N ATOM 1825 CA SER A 121 -14.309 34.592 2.186 1.00 50.44 C ATOM 1826 C SER A 121 -12.919 34.881 2.745 1.00 33.01 C ATOM 1827 O SER A 121 -12.530 36.038 2.903 1.00 21.55 O ATOM 1828 CB SER A 121 -14.820 33.254 2.723 1.00 43.10 C ATOM 1829 OG SER A 121 -16.202 33.092 2.457 1.00 71.31 O ATOM 0 H SER A 121 -15.047 35.103 0.291 1.00 51.04 H new ATOM 0 HA SER A 121 -14.983 35.385 2.508 1.00 50.44 H new ATOM 0 HB2 SER A 121 -14.260 32.438 2.266 1.00 43.10 H new ATOM 0 HB3 SER A 121 -14.644 33.199 3.797 1.00 43.10 H new ATOM 0 HG SER A 121 -16.504 32.228 2.809 1.00 71.31 H new ATOM 1835 N ALA A 122 -12.176 33.820 3.043 1.00 51.13 N ATOM 1836 CA ALA A 122 -10.829 33.958 3.583 1.00 53.15 C ATOM 1837 C ALA A 122 -9.874 34.523 2.537 1.00 41.21 C ATOM 1838 O ALA A 122 -10.166 34.504 1.341 1.00 61.25 O ATOM 1839 CB ALA A 122 -10.324 32.616 4.091 1.00 74.11 C ATOM 0 H ALA A 122 -12.484 32.856 2.920 1.00 51.13 H new ATOM 0 HA ALA A 122 -10.869 34.658 4.417 1.00 53.15 H new ATOM 0 HB1 ALA A 122 -9.317 32.734 4.491 1.00 74.11 H new ATOM 0 HB2 ALA A 122 -10.986 32.252 4.876 1.00 74.11 H new ATOM 0 HB3 ALA A 122 -10.306 31.899 3.270 1.00 74.11 H new TER 1845 ALA A 122