USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 728 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 41 SER OG : rot -178:sc= 0.346 USER MOD Set 1.2: A 92 TYR OH : rot -86:sc= 0.362 USER MOD Set 2.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Set 3.1: A 16 ASN : amide:sc= -0.45 X(o=-0.88,f=-0.51) USER MOD Set 3.2: A 91 ASN : amide:sc= -0.432 K(o=-0.88,f=-2.7!) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0419 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ -178:sc= -2.43 (180deg=-2.45) USER MOD Single : A 6 ASN : amide:sc= -4.02! K(o=-4!,f=-1.7) USER MOD Single : A 7 ASN : amide:sc= -0.0414 X(o=-0.041,f=-0.51) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.118 USER MOD Single : A 12 ASN : amide:sc= -0.0327 X(o=-0.033,f=-0.056) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.773 USER MOD Single : A 17 LYS NZ :NH3+ 155:sc= -0.119 (180deg=-0.543) USER MOD Single : A 19 SER OG : rot 180:sc= -0.547 USER MOD Single : A 23 TYR OH : rot 15:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0158 X(o=-0.016,f=0.047) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 80:sc= -0.126 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00255) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= -0.879 (180deg=-1.57) USER MOD Single : A 55 THR OG1 : rot 180:sc= 1.68 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 45:sc= 0.0184 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.891 USER MOD Single : A 68 ASN : amide:sc= -3.23 K(o=-3.2,f=-5.8!) USER MOD Single : A 69 ASN : amide:sc= -0.268 K(o=-0.27,f=-1.5!) USER MOD Single : A 71 SER OG : rot 68:sc= -0.656 USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 36:sc= 0.964 USER MOD Single : A 75 SER OG : rot 31:sc= 1.08 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 130:sc= -4.34! USER MOD Single : A 85 MET CE :methyl -173:sc= -0.467 (180deg=-0.527) USER MOD Single : A 87 LYS NZ :NH3+ -113:sc= 0.17 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 19:sc= 0.633 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= -2.69! (180deg=-2.69!) USER MOD Single : A 100 GLN : amide:sc= -1.12 K(o=-1.1,f=-8.2!) USER MOD Single : A 101 TYR OH : rot 0:sc= -2.08 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.470 0.035 0.577 1.00 53.10 N ATOM 2 CA GLY A 1 2.265 0.043 -0.637 1.00 22.12 C ATOM 3 C GLY A 1 3.125 -1.198 -0.775 1.00 34.03 C ATOM 4 O GLY A 1 2.765 -2.268 -0.285 1.00 52.30 O ATOM 0 H1 GLY A 1 0.497 0.330 0.357 1.00 53.10 H new ATOM 0 H2 GLY A 1 1.458 -0.924 0.978 1.00 53.10 H new ATOM 0 H3 GLY A 1 1.884 0.694 1.267 1.00 53.10 H new ATOM 0 HA2 GLY A 1 1.604 0.121 -1.500 1.00 22.12 H new ATOM 0 HA3 GLY A 1 2.903 0.926 -0.644 1.00 22.12 H new ATOM 8 N ASN A 2 4.263 -1.056 -1.445 1.00 43.21 N ATOM 9 CA ASN A 2 5.176 -2.175 -1.648 1.00 74.43 C ATOM 10 C ASN A 2 6.203 -2.251 -0.523 1.00 35.55 C ATOM 11 O ASN A 2 6.133 -1.497 0.448 1.00 44.34 O ATOM 12 CB ASN A 2 5.888 -2.042 -2.996 1.00 2.44 C ATOM 13 CG ASN A 2 4.922 -2.048 -4.164 1.00 55.41 C ATOM 14 OD1 ASN A 2 4.301 -3.067 -4.466 1.00 25.52 O ATOM 15 ND2 ASN A 2 4.789 -0.905 -4.828 1.00 63.32 N ATOM 0 H ASN A 2 4.576 -0.177 -1.857 1.00 43.21 H new ATOM 0 HA ASN A 2 4.590 -3.094 -1.643 1.00 74.43 H new ATOM 0 HB2 ASN A 2 6.464 -1.117 -3.010 1.00 2.44 H new ATOM 0 HB3 ASN A 2 6.598 -2.861 -3.111 1.00 2.44 H new ATOM 0 HD21 ASN A 2 4.152 -0.848 -5.623 1.00 63.32 H new ATOM 0 HD22 ASN A 2 5.324 -0.084 -4.543 1.00 63.32 H new ATOM 22 N VAL A 3 7.156 -3.168 -0.659 1.00 74.02 N ATOM 23 CA VAL A 3 8.198 -3.342 0.345 1.00 64.22 C ATOM 24 C VAL A 3 9.582 -3.119 -0.255 1.00 71.14 C ATOM 25 O VAL A 3 10.071 -3.936 -1.037 1.00 20.24 O ATOM 26 CB VAL A 3 8.144 -4.748 0.973 1.00 52.42 C ATOM 27 CG1 VAL A 3 7.028 -4.829 2.003 1.00 74.31 C ATOM 28 CG2 VAL A 3 7.964 -5.806 -0.105 1.00 41.33 C ATOM 0 H VAL A 3 7.227 -3.802 -1.455 1.00 74.02 H new ATOM 0 HA VAL A 3 8.017 -2.598 1.121 1.00 64.22 H new ATOM 0 HB VAL A 3 9.090 -4.937 1.481 1.00 52.42 H new ATOM 0 HG11 VAL A 3 7.005 -5.829 2.436 1.00 74.31 H new ATOM 0 HG12 VAL A 3 7.206 -4.096 2.790 1.00 74.31 H new ATOM 0 HG13 VAL A 3 6.073 -4.620 1.522 1.00 74.31 H new ATOM 0 HG21 VAL A 3 7.928 -6.793 0.356 1.00 41.33 H new ATOM 0 HG22 VAL A 3 7.034 -5.623 -0.643 1.00 41.33 H new ATOM 0 HG23 VAL A 3 8.801 -5.762 -0.802 1.00 41.33 H new ATOM 38 N LEU A 4 10.209 -2.008 0.115 1.00 71.03 N ATOM 39 CA LEU A 4 11.538 -1.676 -0.387 1.00 22.53 C ATOM 40 C LEU A 4 12.461 -1.256 0.753 1.00 54.41 C ATOM 41 O LEU A 4 12.015 -0.682 1.747 1.00 23.34 O ATOM 42 CB LEU A 4 11.449 -0.557 -1.425 1.00 74.13 C ATOM 43 CG LEU A 4 10.434 0.549 -1.134 1.00 74.13 C ATOM 44 CD1 LEU A 4 10.991 1.905 -1.539 1.00 72.23 C ATOM 45 CD2 LEU A 4 9.122 0.272 -1.855 1.00 1.43 C ATOM 0 H LEU A 4 9.819 -1.322 0.761 1.00 71.03 H new ATOM 0 HA LEU A 4 11.954 -2.567 -0.858 1.00 22.53 H new ATOM 0 HB2 LEU A 4 12.434 -0.101 -1.524 1.00 74.13 H new ATOM 0 HB3 LEU A 4 11.205 -1.002 -2.390 1.00 74.13 H new ATOM 0 HG LEU A 4 10.240 0.565 -0.062 1.00 74.13 H new ATOM 0 HD11 LEU A 4 10.255 2.680 -1.324 1.00 72.23 H new ATOM 0 HD12 LEU A 4 11.903 2.106 -0.977 1.00 72.23 H new ATOM 0 HD13 LEU A 4 11.215 1.903 -2.606 1.00 72.23 H new ATOM 0 HD21 LEU A 4 8.411 1.069 -1.637 1.00 1.43 H new ATOM 0 HD22 LEU A 4 9.299 0.229 -2.930 1.00 1.43 H new ATOM 0 HD23 LEU A 4 8.714 -0.680 -1.516 1.00 1.43 H new ATOM 57 N LYS A 5 13.749 -1.542 0.601 1.00 41.03 N ATOM 58 CA LYS A 5 14.736 -1.191 1.615 1.00 44.35 C ATOM 59 C LYS A 5 16.133 -1.106 1.007 1.00 22.14 C ATOM 60 O LYS A 5 16.705 -0.023 0.891 1.00 11.03 O ATOM 61 CB LYS A 5 14.723 -2.219 2.747 1.00 33.54 C ATOM 62 CG LYS A 5 15.389 -1.730 4.021 1.00 23.25 C ATOM 63 CD LYS A 5 14.714 -0.480 4.559 1.00 12.05 C ATOM 64 CE LYS A 5 15.330 -0.037 5.877 1.00 2.44 C ATOM 65 NZ LYS A 5 16.361 -0.998 6.359 1.00 55.00 N ATOM 0 H LYS A 5 14.134 -2.016 -0.216 1.00 41.03 H new ATOM 0 HA LYS A 5 14.474 -0.213 2.018 1.00 44.35 H new ATOM 0 HB2 LYS A 5 13.691 -2.490 2.968 1.00 33.54 H new ATOM 0 HB3 LYS A 5 15.226 -3.125 2.409 1.00 33.54 H new ATOM 0 HG2 LYS A 5 15.355 -2.516 4.775 1.00 23.25 H new ATOM 0 HG3 LYS A 5 16.441 -1.521 3.826 1.00 23.25 H new ATOM 0 HD2 LYS A 5 14.799 0.324 3.828 1.00 12.05 H new ATOM 0 HD3 LYS A 5 13.650 -0.672 4.700 1.00 12.05 H new ATOM 0 HE2 LYS A 5 15.781 0.948 5.754 1.00 2.44 H new ATOM 0 HE3 LYS A 5 14.547 0.062 6.629 1.00 2.44 H new ATOM 0 HZ1 LYS A 5 16.732 -0.678 7.276 1.00 55.00 H new ATOM 0 HZ2 LYS A 5 15.934 -1.940 6.468 1.00 55.00 H new ATOM 0 HZ3 LYS A 5 17.138 -1.048 5.670 1.00 55.00 H new ATOM 79 N ASN A 6 16.676 -2.256 0.621 1.00 41.14 N ATOM 80 CA ASN A 6 18.006 -2.311 0.024 1.00 11.12 C ATOM 81 C ASN A 6 17.966 -1.870 -1.436 1.00 0.43 C ATOM 82 O ASN A 6 16.916 -1.901 -2.076 1.00 31.33 O ATOM 83 CB ASN A 6 18.575 -3.728 0.125 1.00 15.30 C ATOM 84 CG ASN A 6 20.003 -3.815 -0.378 1.00 13.45 C ATOM 85 OD1 ASN A 6 20.355 -4.728 -1.124 1.00 4.10 O ATOM 86 ND2 ASN A 6 20.833 -2.862 0.031 1.00 15.31 N ATOM 0 H ASN A 6 16.216 -3.162 0.711 1.00 41.14 H new ATOM 0 HA ASN A 6 18.652 -1.627 0.574 1.00 11.12 H new ATOM 0 HB2 ASN A 6 18.538 -4.058 1.163 1.00 15.30 H new ATOM 0 HB3 ASN A 6 17.948 -4.410 -0.449 1.00 15.30 H new ATOM 0 HD21 ASN A 6 21.806 -2.868 -0.274 1.00 15.31 H new ATOM 0 HD22 ASN A 6 20.497 -2.124 0.650 1.00 15.31 H new ATOM 93 N ASN A 7 19.118 -1.459 -1.956 1.00 1.23 N ATOM 94 CA ASN A 7 19.215 -1.011 -3.340 1.00 63.02 C ATOM 95 C ASN A 7 18.922 0.482 -3.451 1.00 4.22 C ATOM 96 O ASN A 7 19.813 1.282 -3.741 1.00 22.34 O ATOM 97 CB ASN A 7 18.245 -1.799 -4.222 1.00 72.23 C ATOM 98 CG ASN A 7 18.742 -1.937 -5.648 1.00 73.34 C ATOM 99 OD1 ASN A 7 19.907 -2.257 -5.883 1.00 61.23 O ATOM 100 ND2 ASN A 7 17.857 -1.696 -6.609 1.00 1.31 N ATOM 0 H ASN A 7 19.997 -1.427 -1.440 1.00 1.23 H new ATOM 0 HA ASN A 7 20.234 -1.189 -3.682 1.00 63.02 H new ATOM 0 HB2 ASN A 7 18.094 -2.791 -3.795 1.00 72.23 H new ATOM 0 HB3 ASN A 7 17.275 -1.302 -4.225 1.00 72.23 H new ATOM 0 HD21 ASN A 7 18.133 -1.774 -7.588 1.00 1.31 H new ATOM 0 HD22 ASN A 7 16.901 -1.433 -6.368 1.00 1.31 H new ATOM 107 N THR A 8 17.667 0.853 -3.217 1.00 61.54 N ATOM 108 CA THR A 8 17.256 2.249 -3.291 1.00 72.31 C ATOM 109 C THR A 8 16.624 2.706 -1.981 1.00 71.42 C ATOM 110 O THR A 8 15.553 2.243 -1.586 1.00 44.50 O ATOM 111 CB THR A 8 16.255 2.480 -4.439 1.00 32.32 C ATOM 112 OG1 THR A 8 16.727 1.850 -5.635 1.00 21.00 O ATOM 113 CG2 THR A 8 16.052 3.966 -4.689 1.00 14.54 C ATOM 0 H THR A 8 16.917 0.205 -2.974 1.00 61.54 H new ATOM 0 HA THR A 8 18.156 2.834 -3.481 1.00 72.31 H new ATOM 0 HB THR A 8 15.299 2.042 -4.151 1.00 32.32 H new ATOM 0 HG1 THR A 8 16.084 2.000 -6.359 1.00 21.00 H new ATOM 0 HG21 THR A 8 15.341 4.104 -5.504 1.00 14.54 H new ATOM 0 HG22 THR A 8 15.665 4.437 -3.786 1.00 14.54 H new ATOM 0 HG23 THR A 8 17.004 4.423 -4.957 1.00 14.54 H new ATOM 121 N PRO A 9 17.300 3.636 -1.290 1.00 74.41 N ATOM 122 CA PRO A 9 16.822 4.176 -0.014 1.00 54.42 C ATOM 123 C PRO A 9 15.588 5.057 -0.183 1.00 45.34 C ATOM 124 O PRO A 9 15.406 5.694 -1.221 1.00 53.01 O ATOM 125 CB PRO A 9 18.007 5.006 0.486 1.00 51.13 C ATOM 126 CG PRO A 9 18.754 5.381 -0.748 1.00 12.05 C ATOM 127 CD PRO A 9 18.582 4.231 -1.701 1.00 51.34 C ATOM 0 HA PRO A 9 16.516 3.387 0.673 1.00 54.42 H new ATOM 0 HB2 PRO A 9 17.671 5.889 1.029 1.00 51.13 H new ATOM 0 HB3 PRO A 9 18.633 4.431 1.169 1.00 51.13 H new ATOM 0 HG2 PRO A 9 18.363 6.304 -1.176 1.00 12.05 H new ATOM 0 HG3 PRO A 9 19.808 5.552 -0.529 1.00 12.05 H new ATOM 0 HD2 PRO A 9 18.555 4.568 -2.737 1.00 51.34 H new ATOM 0 HD3 PRO A 9 19.401 3.516 -1.620 1.00 51.34 H new ATOM 135 N VAL A 10 14.745 5.090 0.843 1.00 35.31 N ATOM 136 CA VAL A 10 13.529 5.894 0.808 1.00 0.23 C ATOM 137 C VAL A 10 13.837 7.366 1.060 1.00 73.03 C ATOM 138 O VAL A 10 14.260 7.745 2.152 1.00 72.41 O ATOM 139 CB VAL A 10 12.505 5.410 1.852 1.00 22.50 C ATOM 140 CG1 VAL A 10 11.329 6.371 1.933 1.00 4.03 C ATOM 141 CG2 VAL A 10 12.032 4.002 1.520 1.00 10.41 C ATOM 0 H VAL A 10 14.881 4.569 1.709 1.00 35.31 H new ATOM 0 HA VAL A 10 13.102 5.779 -0.188 1.00 0.23 H new ATOM 0 HB VAL A 10 12.990 5.386 2.828 1.00 22.50 H new ATOM 0 HG11 VAL A 10 10.616 6.012 2.676 1.00 4.03 H new ATOM 0 HG12 VAL A 10 11.686 7.360 2.221 1.00 4.03 H new ATOM 0 HG13 VAL A 10 10.840 6.431 0.961 1.00 4.03 H new ATOM 0 HG21 VAL A 10 11.309 3.675 2.267 1.00 10.41 H new ATOM 0 HG22 VAL A 10 11.563 3.998 0.536 1.00 10.41 H new ATOM 0 HG23 VAL A 10 12.884 3.323 1.519 1.00 10.41 H new ATOM 151 N SER A 11 13.621 8.192 0.041 1.00 11.42 N ATOM 152 CA SER A 11 13.878 9.624 0.150 1.00 23.52 C ATOM 153 C SER A 11 12.777 10.314 0.949 1.00 3.13 C ATOM 154 O SER A 11 11.598 9.996 0.805 1.00 52.13 O ATOM 155 CB SER A 11 13.985 10.251 -1.241 1.00 11.42 C ATOM 156 OG SER A 11 13.444 9.394 -2.230 1.00 71.54 O ATOM 0 H SER A 11 13.269 7.895 -0.869 1.00 11.42 H new ATOM 0 HA SER A 11 14.823 9.760 0.675 1.00 23.52 H new ATOM 0 HB2 SER A 11 13.458 11.205 -1.255 1.00 11.42 H new ATOM 0 HB3 SER A 11 15.030 10.461 -1.469 1.00 11.42 H new ATOM 0 HG SER A 11 13.523 9.819 -3.110 1.00 71.54 H new ATOM 162 N ASN A 12 13.173 11.262 1.793 1.00 31.43 N ATOM 163 CA ASN A 12 12.221 11.998 2.617 1.00 74.12 C ATOM 164 C ASN A 12 11.242 11.047 3.298 1.00 35.23 C ATOM 165 O ASN A 12 10.139 10.813 2.802 1.00 72.31 O ATOM 166 CB ASN A 12 11.455 13.012 1.764 1.00 33.35 C ATOM 167 CG ASN A 12 12.271 13.512 0.588 1.00 33.11 C ATOM 168 OD1 ASN A 12 13.316 14.138 0.765 1.00 53.21 O ATOM 169 ND2 ASN A 12 11.795 13.237 -0.621 1.00 24.10 N ATOM 0 H ASN A 12 14.146 11.538 1.924 1.00 31.43 H new ATOM 0 HA ASN A 12 12.779 12.529 3.388 1.00 74.12 H new ATOM 0 HB2 ASN A 12 10.537 12.554 1.397 1.00 33.35 H new ATOM 0 HB3 ASN A 12 11.162 13.858 2.386 1.00 33.35 H new ATOM 0 HD21 ASN A 12 12.300 13.548 -1.451 1.00 24.10 H new ATOM 0 HD22 ASN A 12 10.924 12.715 -0.720 1.00 24.10 H new ATOM 176 N LEU A 13 11.651 10.502 4.438 1.00 24.23 N ATOM 177 CA LEU A 13 10.811 9.576 5.190 1.00 55.24 C ATOM 178 C LEU A 13 9.656 10.312 5.861 1.00 13.33 C ATOM 179 O LEU A 13 9.384 11.474 5.557 1.00 50.24 O ATOM 180 CB LEU A 13 11.642 8.840 6.242 1.00 51.23 C ATOM 181 CG LEU A 13 11.727 7.321 6.088 1.00 52.22 C ATOM 182 CD1 LEU A 13 10.335 6.710 6.046 1.00 52.34 C ATOM 183 CD2 LEU A 13 12.510 6.955 4.836 1.00 63.13 C ATOM 0 H LEU A 13 12.560 10.685 4.863 1.00 24.23 H new ATOM 0 HA LEU A 13 10.398 8.849 4.490 1.00 55.24 H new ATOM 0 HB2 LEU A 13 12.654 9.244 6.224 1.00 51.23 H new ATOM 0 HB3 LEU A 13 11.227 9.063 7.225 1.00 51.23 H new ATOM 0 HG LEU A 13 12.253 6.916 6.953 1.00 52.22 H new ATOM 0 HD11 LEU A 13 10.416 5.629 5.936 1.00 52.34 H new ATOM 0 HD12 LEU A 13 9.808 6.942 6.971 1.00 52.34 H new ATOM 0 HD13 LEU A 13 9.783 7.121 5.201 1.00 52.34 H new ATOM 0 HD21 LEU A 13 12.560 5.870 4.743 1.00 63.13 H new ATOM 0 HD22 LEU A 13 12.012 7.372 3.961 1.00 63.13 H new ATOM 0 HD23 LEU A 13 13.519 7.360 4.907 1.00 63.13 H new ATOM 195 N THR A 14 8.979 9.629 6.779 1.00 20.13 N ATOM 196 CA THR A 14 7.854 10.217 7.495 1.00 4.53 C ATOM 197 C THR A 14 7.880 9.833 8.970 1.00 11.43 C ATOM 198 O THR A 14 8.165 8.688 9.319 1.00 52.51 O ATOM 199 CB THR A 14 6.509 9.780 6.886 1.00 62.42 C ATOM 200 OG1 THR A 14 6.527 8.373 6.619 1.00 62.14 O ATOM 201 CG2 THR A 14 6.224 10.542 5.600 1.00 20.54 C ATOM 0 H THR A 14 9.191 8.667 7.044 1.00 20.13 H new ATOM 0 HA THR A 14 7.951 11.299 7.402 1.00 4.53 H new ATOM 0 HB THR A 14 5.720 10.003 7.604 1.00 62.42 H new ATOM 0 HG1 THR A 14 5.668 8.102 6.233 1.00 62.14 H new ATOM 0 HG21 THR A 14 5.269 10.216 5.188 1.00 20.54 H new ATOM 0 HG22 THR A 14 6.183 11.610 5.812 1.00 20.54 H new ATOM 0 HG23 THR A 14 7.016 10.346 4.878 1.00 20.54 H new ATOM 209 N GLY A 15 7.579 10.799 9.834 1.00 65.20 N ATOM 210 CA GLY A 15 7.573 10.541 11.262 1.00 24.01 C ATOM 211 C GLY A 15 6.404 11.201 11.965 1.00 2.35 C ATOM 212 O GLY A 15 6.594 12.033 12.851 1.00 10.44 O ATOM 0 H GLY A 15 7.339 11.755 9.570 1.00 65.20 H new ATOM 0 HA2 GLY A 15 7.536 9.465 11.434 1.00 24.01 H new ATOM 0 HA3 GLY A 15 8.505 10.901 11.697 1.00 24.01 H new ATOM 216 N ASN A 16 5.191 10.831 11.569 1.00 60.33 N ATOM 217 CA ASN A 16 3.986 11.395 12.166 1.00 60.30 C ATOM 218 C ASN A 16 3.729 10.792 13.544 1.00 54.32 C ATOM 219 O ASN A 16 4.214 9.706 13.860 1.00 64.04 O ATOM 220 CB ASN A 16 2.779 11.152 11.257 1.00 24.42 C ATOM 221 CG ASN A 16 2.886 11.900 9.942 1.00 13.05 C ATOM 222 OD1 ASN A 16 3.726 11.582 9.101 1.00 41.32 O ATOM 223 ND2 ASN A 16 2.032 12.900 9.761 1.00 54.53 N ATOM 0 H ASN A 16 5.016 10.143 10.837 1.00 60.33 H new ATOM 0 HA ASN A 16 4.135 12.469 12.280 1.00 60.30 H new ATOM 0 HB2 ASN A 16 2.686 10.084 11.058 1.00 24.42 H new ATOM 0 HB3 ASN A 16 1.870 11.460 11.774 1.00 24.42 H new ATOM 0 HD21 ASN A 16 2.055 13.441 8.896 1.00 54.53 H new ATOM 0 HD22 ASN A 16 1.352 13.128 10.487 1.00 54.53 H new ATOM 230 N LYS A 17 2.961 11.505 14.361 1.00 75.01 N ATOM 231 CA LYS A 17 2.636 11.042 15.705 1.00 74.43 C ATOM 232 C LYS A 17 2.102 9.613 15.673 1.00 30.03 C ATOM 233 O LYS A 17 2.691 8.707 16.262 1.00 54.11 O ATOM 234 CB LYS A 17 1.604 11.969 16.351 1.00 75.25 C ATOM 235 CG LYS A 17 2.221 13.125 17.118 1.00 53.22 C ATOM 236 CD LYS A 17 2.418 14.342 16.229 1.00 14.02 C ATOM 237 CE LYS A 17 1.275 15.335 16.382 1.00 24.34 C ATOM 238 NZ LYS A 17 1.237 15.930 17.747 1.00 43.23 N ATOM 0 H LYS A 17 2.552 12.406 14.116 1.00 75.01 H new ATOM 0 HA LYS A 17 3.550 11.057 16.299 1.00 74.43 H new ATOM 0 HB2 LYS A 17 0.949 12.367 15.575 1.00 75.25 H new ATOM 0 HB3 LYS A 17 0.979 11.387 17.028 1.00 75.25 H new ATOM 0 HG2 LYS A 17 1.580 13.388 17.960 1.00 53.22 H new ATOM 0 HG3 LYS A 17 3.181 12.817 17.533 1.00 53.22 H new ATOM 0 HD2 LYS A 17 3.360 14.829 16.480 1.00 14.02 H new ATOM 0 HD3 LYS A 17 2.490 14.026 15.188 1.00 14.02 H new ATOM 0 HE2 LYS A 17 1.382 16.129 15.643 1.00 24.34 H new ATOM 0 HE3 LYS A 17 0.329 14.834 16.178 1.00 24.34 H new ATOM 0 HZ1 LYS A 17 0.767 16.857 17.709 1.00 43.23 H new ATOM 0 HZ2 LYS A 17 0.710 15.301 18.385 1.00 43.23 H new ATOM 0 HZ3 LYS A 17 2.208 16.048 18.101 1.00 43.23 H new ATOM 252 N GLY A 18 0.984 9.419 14.981 1.00 75.41 N ATOM 253 CA GLY A 18 0.391 8.098 14.885 1.00 74.51 C ATOM 254 C GLY A 18 0.804 7.367 13.623 1.00 63.21 C ATOM 255 O GLY A 18 1.245 6.219 13.678 1.00 22.25 O ATOM 0 H GLY A 18 0.478 10.153 14.485 1.00 75.41 H new ATOM 0 HA2 GLY A 18 0.682 7.508 15.754 1.00 74.51 H new ATOM 0 HA3 GLY A 18 -0.695 8.188 14.910 1.00 74.51 H new ATOM 259 N SER A 19 0.661 8.032 12.481 1.00 14.44 N ATOM 260 CA SER A 19 1.018 7.437 11.199 1.00 35.21 C ATOM 261 C SER A 19 2.427 6.853 11.244 1.00 14.45 C ATOM 262 O SER A 19 3.332 7.437 11.839 1.00 42.45 O ATOM 263 CB SER A 19 0.921 8.480 10.084 1.00 73.41 C ATOM 264 OG SER A 19 2.152 8.604 9.394 1.00 61.03 O ATOM 0 H SER A 19 0.300 8.984 12.418 1.00 14.44 H new ATOM 0 HA SER A 19 0.316 6.629 10.993 1.00 35.21 H new ATOM 0 HB2 SER A 19 0.135 8.197 9.384 1.00 73.41 H new ATOM 0 HB3 SER A 19 0.639 9.444 10.507 1.00 73.41 H new ATOM 0 HG SER A 19 2.064 9.275 8.686 1.00 61.03 H new ATOM 270 N GLU A 20 2.602 5.697 10.612 1.00 3.32 N ATOM 271 CA GLU A 20 3.901 5.034 10.581 1.00 14.11 C ATOM 272 C GLU A 20 4.157 4.404 9.215 1.00 42.30 C ATOM 273 O GLU A 20 3.263 4.339 8.371 1.00 22.32 O ATOM 274 CB GLU A 20 3.977 3.963 11.671 1.00 2.01 C ATOM 275 CG GLU A 20 3.985 4.529 13.081 1.00 1.12 C ATOM 276 CD GLU A 20 3.284 3.625 14.077 1.00 41.24 C ATOM 277 OE1 GLU A 20 3.938 2.697 14.598 1.00 43.54 O ATOM 278 OE2 GLU A 20 2.082 3.845 14.334 1.00 23.15 O ATOM 0 H GLU A 20 1.862 5.201 10.115 1.00 3.32 H new ATOM 0 HA GLU A 20 4.669 5.785 10.765 1.00 14.11 H new ATOM 0 HB2 GLU A 20 3.128 3.287 11.565 1.00 2.01 H new ATOM 0 HB3 GLU A 20 4.878 3.368 11.522 1.00 2.01 H new ATOM 0 HG2 GLU A 20 5.016 4.685 13.400 1.00 1.12 H new ATOM 0 HG3 GLU A 20 3.501 5.506 13.079 1.00 1.12 H new ATOM 285 N VAL A 21 5.386 3.943 9.004 1.00 32.41 N ATOM 286 CA VAL A 21 5.761 3.318 7.742 1.00 64.44 C ATOM 287 C VAL A 21 6.669 2.115 7.972 1.00 22.24 C ATOM 288 O VAL A 21 7.587 2.164 8.791 1.00 2.35 O ATOM 289 CB VAL A 21 6.477 4.316 6.812 1.00 33.10 C ATOM 290 CG1 VAL A 21 5.598 4.658 5.618 1.00 23.03 C ATOM 291 CG2 VAL A 21 6.864 5.572 7.577 1.00 13.42 C ATOM 0 H VAL A 21 6.138 3.991 9.691 1.00 32.41 H new ATOM 0 HA VAL A 21 4.837 2.987 7.267 1.00 64.44 H new ATOM 0 HB VAL A 21 7.389 3.850 6.439 1.00 33.10 H new ATOM 0 HG11 VAL A 21 6.120 5.364 4.972 1.00 23.03 H new ATOM 0 HG12 VAL A 21 5.376 3.750 5.058 1.00 23.03 H new ATOM 0 HG13 VAL A 21 4.668 5.106 5.967 1.00 23.03 H new ATOM 0 HG21 VAL A 21 7.369 6.266 6.905 1.00 13.42 H new ATOM 0 HG22 VAL A 21 5.968 6.044 7.980 1.00 13.42 H new ATOM 0 HG23 VAL A 21 7.534 5.308 8.395 1.00 13.42 H new ATOM 301 N PHE A 22 6.407 1.034 7.245 1.00 41.34 N ATOM 302 CA PHE A 22 7.200 -0.183 7.370 1.00 4.10 C ATOM 303 C PHE A 22 7.501 -0.780 5.998 1.00 34.24 C ATOM 304 O PHE A 22 6.738 -0.598 5.049 1.00 12.23 O ATOM 305 CB PHE A 22 6.466 -1.209 8.236 1.00 50.42 C ATOM 306 CG PHE A 22 5.029 -1.404 7.845 1.00 11.31 C ATOM 307 CD1 PHE A 22 4.032 -0.625 8.410 1.00 12.12 C ATOM 308 CD2 PHE A 22 4.675 -2.365 6.912 1.00 20.24 C ATOM 309 CE1 PHE A 22 2.709 -0.803 8.053 1.00 54.00 C ATOM 310 CE2 PHE A 22 3.353 -2.548 6.551 1.00 44.51 C ATOM 311 CZ PHE A 22 2.369 -1.765 7.121 1.00 1.53 C ATOM 0 H PHE A 22 5.651 0.976 6.563 1.00 41.34 H new ATOM 0 HA PHE A 22 8.144 0.076 7.849 1.00 4.10 H new ATOM 0 HB2 PHE A 22 6.985 -2.165 8.171 1.00 50.42 H new ATOM 0 HB3 PHE A 22 6.511 -0.892 9.278 1.00 50.42 H new ATOM 0 HD1 PHE A 22 4.292 0.130 9.138 1.00 12.12 H new ATOM 0 HD2 PHE A 22 5.441 -2.979 6.461 1.00 20.24 H new ATOM 0 HE1 PHE A 22 1.941 -0.191 8.502 1.00 54.00 H new ATOM 0 HE2 PHE A 22 3.090 -3.302 5.824 1.00 44.51 H new ATOM 0 HZ PHE A 22 1.336 -1.904 6.839 1.00 1.53 H new ATOM 321 N TYR A 23 8.617 -1.494 5.902 1.00 11.41 N ATOM 322 CA TYR A 23 9.021 -2.116 4.647 1.00 54.43 C ATOM 323 C TYR A 23 9.673 -3.472 4.896 1.00 43.12 C ATOM 324 O TYR A 23 10.044 -3.799 6.024 1.00 42.13 O ATOM 325 CB TYR A 23 9.987 -1.204 3.889 1.00 51.40 C ATOM 326 CG TYR A 23 9.610 0.259 3.946 1.00 15.42 C ATOM 327 CD1 TYR A 23 8.574 0.761 3.167 1.00 2.25 C ATOM 328 CD2 TYR A 23 10.288 1.140 4.780 1.00 30.22 C ATOM 329 CE1 TYR A 23 8.227 2.097 3.216 1.00 13.31 C ATOM 330 CE2 TYR A 23 9.946 2.477 4.836 1.00 3.25 C ATOM 331 CZ TYR A 23 8.915 2.951 4.052 1.00 4.22 C ATOM 332 OH TYR A 23 8.571 4.283 4.105 1.00 63.53 O ATOM 0 H TYR A 23 9.258 -1.656 6.679 1.00 11.41 H new ATOM 0 HA TYR A 23 8.127 -2.269 4.043 1.00 54.43 H new ATOM 0 HB2 TYR A 23 10.989 -1.329 4.300 1.00 51.40 H new ATOM 0 HB3 TYR A 23 10.029 -1.519 2.846 1.00 51.40 H new ATOM 0 HD1 TYR A 23 8.031 0.095 2.512 1.00 2.25 H new ATOM 0 HD2 TYR A 23 11.096 0.773 5.395 1.00 30.22 H new ATOM 0 HE1 TYR A 23 7.421 2.471 2.603 1.00 13.31 H new ATOM 0 HE2 TYR A 23 10.483 3.148 5.490 1.00 3.25 H new ATOM 0 HH TYR A 23 7.693 4.411 3.688 1.00 63.53 H new ATOM 342 N THR A 24 9.811 -4.259 3.833 1.00 23.13 N ATOM 343 CA THR A 24 10.418 -5.580 3.935 1.00 63.25 C ATOM 344 C THR A 24 11.412 -5.817 2.803 1.00 75.14 C ATOM 345 O THR A 24 11.159 -5.451 1.655 1.00 73.04 O ATOM 346 CB THR A 24 9.352 -6.692 3.908 1.00 43.31 C ATOM 347 OG1 THR A 24 8.217 -6.300 4.687 1.00 33.13 O ATOM 348 CG2 THR A 24 9.918 -7.997 4.447 1.00 51.01 C ATOM 0 H THR A 24 9.511 -4.004 2.892 1.00 23.13 H new ATOM 0 HA THR A 24 10.943 -5.614 4.890 1.00 63.25 H new ATOM 0 HB THR A 24 9.046 -6.848 2.873 1.00 43.31 H new ATOM 0 HG1 THR A 24 7.543 -7.011 4.664 1.00 33.13 H new ATOM 0 HG21 THR A 24 9.147 -8.767 4.418 1.00 51.01 H new ATOM 0 HG22 THR A 24 10.764 -8.307 3.834 1.00 51.01 H new ATOM 0 HG23 THR A 24 10.249 -7.853 5.476 1.00 51.01 H new ATOM 356 N PHE A 25 12.542 -6.432 3.133 1.00 62.31 N ATOM 357 CA PHE A 25 13.574 -6.718 2.143 1.00 24.12 C ATOM 358 C PHE A 25 14.506 -7.823 2.633 1.00 41.14 C ATOM 359 O PHE A 25 14.552 -8.131 3.824 1.00 34.11 O ATOM 360 CB PHE A 25 14.380 -5.454 1.836 1.00 25.34 C ATOM 361 CG PHE A 25 14.526 -5.178 0.367 1.00 21.12 C ATOM 362 CD1 PHE A 25 13.492 -4.594 -0.347 1.00 44.01 C ATOM 363 CD2 PHE A 25 15.697 -5.502 -0.299 1.00 53.14 C ATOM 364 CE1 PHE A 25 13.624 -4.340 -1.699 1.00 54.42 C ATOM 365 CE2 PHE A 25 15.834 -5.249 -1.651 1.00 71.54 C ATOM 366 CZ PHE A 25 14.796 -4.667 -2.352 1.00 2.51 C ATOM 0 H PHE A 25 12.767 -6.742 4.078 1.00 62.31 H new ATOM 0 HA PHE A 25 13.084 -7.058 1.231 1.00 24.12 H new ATOM 0 HB2 PHE A 25 13.897 -4.600 2.312 1.00 25.34 H new ATOM 0 HB3 PHE A 25 15.371 -5.548 2.280 1.00 25.34 H new ATOM 0 HD1 PHE A 25 12.573 -4.335 0.158 1.00 44.01 H new ATOM 0 HD2 PHE A 25 16.512 -5.957 0.244 1.00 53.14 H new ATOM 0 HE1 PHE A 25 12.810 -3.886 -2.245 1.00 54.42 H new ATOM 0 HE2 PHE A 25 16.752 -5.506 -2.159 1.00 71.54 H new ATOM 0 HZ PHE A 25 14.901 -4.468 -3.408 1.00 2.51 H new ATOM 376 N THR A 26 15.249 -8.417 1.704 1.00 72.33 N ATOM 377 CA THR A 26 16.178 -9.489 2.038 1.00 2.25 C ATOM 378 C THR A 26 17.507 -9.311 1.313 1.00 51.23 C ATOM 379 O THR A 26 17.638 -8.456 0.436 1.00 34.15 O ATOM 380 CB THR A 26 15.594 -10.870 1.685 1.00 3.34 C ATOM 381 OG1 THR A 26 15.602 -11.056 0.266 1.00 73.33 O ATOM 382 CG2 THR A 26 14.174 -11.008 2.213 1.00 40.43 C ATOM 0 H THR A 26 15.225 -8.173 0.714 1.00 72.33 H new ATOM 0 HA THR A 26 16.345 -9.438 3.114 1.00 2.25 H new ATOM 0 HB THR A 26 16.214 -11.634 2.154 1.00 3.34 H new ATOM 0 HG1 THR A 26 15.231 -11.937 0.049 1.00 73.33 H new ATOM 0 HG21 THR A 26 13.783 -11.991 1.952 1.00 40.43 H new ATOM 0 HG22 THR A 26 14.176 -10.895 3.297 1.00 40.43 H new ATOM 0 HG23 THR A 26 13.544 -10.237 1.769 1.00 40.43 H new ATOM 390 N VAL A 27 18.491 -10.124 1.682 1.00 4.14 N ATOM 391 CA VAL A 27 19.810 -10.057 1.065 1.00 65.32 C ATOM 392 C VAL A 27 20.057 -11.262 0.164 1.00 70.20 C ATOM 393 O VAL A 27 19.260 -12.200 0.133 1.00 63.41 O ATOM 394 CB VAL A 27 20.924 -9.987 2.126 1.00 23.44 C ATOM 395 CG1 VAL A 27 20.856 -8.672 2.887 1.00 54.11 C ATOM 396 CG2 VAL A 27 20.827 -11.169 3.079 1.00 35.32 C ATOM 0 H VAL A 27 18.400 -10.837 2.406 1.00 4.14 H new ATOM 0 HA VAL A 27 19.832 -9.147 0.465 1.00 65.32 H new ATOM 0 HB VAL A 27 21.888 -10.036 1.619 1.00 23.44 H new ATOM 0 HG11 VAL A 27 21.651 -8.641 3.632 1.00 54.11 H new ATOM 0 HG12 VAL A 27 20.979 -7.842 2.191 1.00 54.11 H new ATOM 0 HG13 VAL A 27 19.889 -8.589 3.384 1.00 54.11 H new ATOM 0 HG21 VAL A 27 21.622 -11.103 3.822 1.00 35.32 H new ATOM 0 HG22 VAL A 27 19.859 -11.154 3.580 1.00 35.32 H new ATOM 0 HG23 VAL A 27 20.930 -12.098 2.518 1.00 35.32 H new ATOM 406 N ASP A 28 21.165 -11.230 -0.567 1.00 64.05 N ATOM 407 CA ASP A 28 21.519 -12.321 -1.469 1.00 13.42 C ATOM 408 C ASP A 28 22.765 -13.050 -0.977 1.00 44.54 C ATOM 409 O ASP A 28 22.739 -14.259 -0.747 1.00 2.41 O ATOM 410 CB ASP A 28 21.749 -11.787 -2.884 1.00 20.14 C ATOM 411 CG ASP A 28 21.128 -12.674 -3.945 1.00 23.00 C ATOM 412 OD1 ASP A 28 20.889 -13.866 -3.657 1.00 51.42 O ATOM 413 OD2 ASP A 28 20.881 -12.176 -5.063 1.00 62.31 O ATOM 0 H ASP A 28 21.834 -10.460 -0.553 1.00 64.05 H new ATOM 0 HA ASP A 28 20.690 -13.029 -1.487 1.00 13.42 H new ATOM 0 HB2 ASP A 28 21.331 -10.784 -2.963 1.00 20.14 H new ATOM 0 HB3 ASP A 28 22.820 -11.701 -3.067 1.00 20.14 H new ATOM 418 N ARG A 29 23.856 -12.306 -0.820 1.00 71.24 N ATOM 419 CA ARG A 29 25.113 -12.882 -0.359 1.00 21.22 C ATOM 420 C ARG A 29 25.669 -12.096 0.825 1.00 43.12 C ATOM 421 O ARG A 29 25.598 -10.868 0.855 1.00 31.24 O ATOM 422 CB ARG A 29 26.136 -12.905 -1.496 1.00 3.32 C ATOM 423 CG ARG A 29 26.831 -11.571 -1.716 1.00 63.02 C ATOM 424 CD ARG A 29 25.844 -10.489 -2.123 1.00 14.44 C ATOM 425 NE ARG A 29 26.441 -9.516 -3.034 1.00 24.23 N ATOM 426 CZ ARG A 29 25.873 -8.358 -3.348 1.00 53.33 C ATOM 427 NH1 ARG A 29 24.699 -8.029 -2.828 1.00 14.43 N ATOM 428 NH2 ARG A 29 26.479 -7.525 -4.185 1.00 61.20 N ATOM 0 H ARG A 29 23.894 -11.304 -1.005 1.00 71.24 H new ATOM 0 HA ARG A 29 24.918 -13.904 -0.035 1.00 21.22 H new ATOM 0 HB2 ARG A 29 26.887 -13.666 -1.283 1.00 3.32 H new ATOM 0 HB3 ARG A 29 25.636 -13.201 -2.418 1.00 3.32 H new ATOM 0 HG2 ARG A 29 27.344 -11.272 -0.802 1.00 63.02 H new ATOM 0 HG3 ARG A 29 27.593 -11.679 -2.488 1.00 63.02 H new ATOM 0 HD2 ARG A 29 24.979 -10.949 -2.601 1.00 14.44 H new ATOM 0 HD3 ARG A 29 25.481 -9.976 -1.232 1.00 14.44 H new ATOM 0 HE ARG A 29 27.344 -9.739 -3.452 1.00 24.23 H new ATOM 0 HH11 ARG A 29 24.230 -8.666 -2.185 1.00 14.43 H new ATOM 0 HH12 ARG A 29 24.265 -7.139 -3.071 1.00 14.43 H new ATOM 0 HH21 ARG A 29 27.382 -7.774 -4.588 1.00 61.20 H new ATOM 0 HH22 ARG A 29 26.041 -6.636 -4.425 1.00 61.20 H new ATOM 442 N ASN A 30 26.222 -12.813 1.798 1.00 65.15 N ATOM 443 CA ASN A 30 26.790 -12.183 2.984 1.00 52.40 C ATOM 444 C ASN A 30 27.719 -11.036 2.599 1.00 42.32 C ATOM 445 O ASN A 30 28.723 -11.239 1.917 1.00 61.22 O ATOM 446 CB ASN A 30 27.552 -13.213 3.819 1.00 21.04 C ATOM 447 CG ASN A 30 28.507 -12.567 4.804 1.00 44.41 C ATOM 448 OD1 ASN A 30 28.100 -12.108 5.871 1.00 0.03 O ATOM 449 ND2 ASN A 30 29.786 -12.527 4.448 1.00 22.12 N ATOM 0 H ASN A 30 26.289 -13.831 1.788 1.00 65.15 H new ATOM 0 HA ASN A 30 25.970 -11.779 3.578 1.00 52.40 H new ATOM 0 HB2 ASN A 30 26.840 -13.835 4.362 1.00 21.04 H new ATOM 0 HB3 ASN A 30 28.111 -13.873 3.155 1.00 21.04 H new ATOM 0 HD21 ASN A 30 30.475 -12.103 5.069 1.00 22.12 H new ATOM 0 HD22 ASN A 30 30.079 -12.920 3.553 1.00 22.12 H new ATOM 456 N ALA A 31 27.377 -9.830 3.041 1.00 22.13 N ATOM 457 CA ALA A 31 28.182 -8.651 2.746 1.00 72.25 C ATOM 458 C ALA A 31 28.284 -7.737 3.962 1.00 65.31 C ATOM 459 O ALA A 31 27.279 -7.414 4.596 1.00 43.23 O ATOM 460 CB ALA A 31 27.595 -7.895 1.563 1.00 41.12 C ATOM 0 H ALA A 31 26.548 -9.644 3.605 1.00 22.13 H new ATOM 0 HA ALA A 31 29.188 -8.983 2.489 1.00 72.25 H new ATOM 0 HB1 ALA A 31 28.206 -7.017 1.353 1.00 41.12 H new ATOM 0 HB2 ALA A 31 27.580 -8.544 0.688 1.00 41.12 H new ATOM 0 HB3 ALA A 31 26.578 -7.582 1.800 1.00 41.12 H new ATOM 466 N THR A 32 29.506 -7.324 4.284 1.00 2.34 N ATOM 467 CA THR A 32 29.740 -6.449 5.426 1.00 3.40 C ATOM 468 C THR A 32 29.779 -4.986 4.999 1.00 42.13 C ATOM 469 O THR A 32 30.746 -4.534 4.386 1.00 71.13 O ATOM 470 CB THR A 32 31.059 -6.798 6.141 1.00 64.24 C ATOM 471 OG1 THR A 32 31.350 -5.816 7.141 1.00 35.15 O ATOM 472 CG2 THR A 32 32.209 -6.873 5.148 1.00 44.34 C ATOM 0 H THR A 32 30.349 -7.581 3.770 1.00 2.34 H new ATOM 0 HA THR A 32 28.910 -6.602 6.116 1.00 3.40 H new ATOM 0 HB THR A 32 30.943 -7.773 6.614 1.00 64.24 H new ATOM 0 HG1 THR A 32 32.189 -6.047 7.591 1.00 35.15 H new ATOM 0 HG21 THR A 32 33.130 -7.121 5.676 1.00 44.34 H new ATOM 0 HG22 THR A 32 31.999 -7.642 4.405 1.00 44.34 H new ATOM 0 HG23 THR A 32 32.324 -5.910 4.651 1.00 44.34 H new ATOM 480 N ALA A 33 28.722 -4.250 5.327 1.00 24.01 N ATOM 481 CA ALA A 33 28.638 -2.837 4.979 1.00 34.03 C ATOM 482 C ALA A 33 28.024 -2.028 6.117 1.00 54.34 C ATOM 483 O ALA A 33 27.173 -2.523 6.856 1.00 73.03 O ATOM 484 CB ALA A 33 27.829 -2.655 3.703 1.00 22.22 C ATOM 0 H ALA A 33 27.912 -4.609 5.833 1.00 24.01 H new ATOM 0 HA ALA A 33 29.650 -2.468 4.810 1.00 34.03 H new ATOM 0 HB1 ALA A 33 27.774 -1.595 3.455 1.00 22.22 H new ATOM 0 HB2 ALA A 33 28.310 -3.194 2.887 1.00 22.22 H new ATOM 0 HB3 ALA A 33 26.822 -3.045 3.852 1.00 22.22 H new ATOM 490 N VAL A 34 28.461 -0.780 6.252 1.00 10.30 N ATOM 491 CA VAL A 34 27.954 0.099 7.299 1.00 31.45 C ATOM 492 C VAL A 34 27.173 1.266 6.707 1.00 0.41 C ATOM 493 O VAL A 34 27.749 2.167 6.096 1.00 23.44 O ATOM 494 CB VAL A 34 29.097 0.650 8.172 1.00 62.20 C ATOM 495 CG1 VAL A 34 30.197 1.239 7.302 1.00 70.23 C ATOM 496 CG2 VAL A 34 28.568 1.687 9.151 1.00 75.13 C ATOM 0 H VAL A 34 29.165 -0.355 5.649 1.00 10.30 H new ATOM 0 HA VAL A 34 27.289 -0.501 7.921 1.00 31.45 H new ATOM 0 HB VAL A 34 29.522 -0.174 8.746 1.00 62.20 H new ATOM 0 HG11 VAL A 34 30.996 1.623 7.936 1.00 70.23 H new ATOM 0 HG12 VAL A 34 30.595 0.465 6.646 1.00 70.23 H new ATOM 0 HG13 VAL A 34 29.789 2.051 6.700 1.00 70.23 H new ATOM 0 HG21 VAL A 34 29.389 2.065 9.759 1.00 75.13 H new ATOM 0 HG22 VAL A 34 28.116 2.511 8.599 1.00 75.13 H new ATOM 0 HG23 VAL A 34 27.819 1.229 9.797 1.00 75.13 H new ATOM 506 N VAL A 35 25.857 1.246 6.892 1.00 31.42 N ATOM 507 CA VAL A 35 24.996 2.304 6.378 1.00 73.34 C ATOM 508 C VAL A 35 24.047 2.814 7.457 1.00 45.02 C ATOM 509 O VAL A 35 23.529 2.038 8.260 1.00 44.22 O ATOM 510 CB VAL A 35 24.170 1.818 5.172 1.00 53.34 C ATOM 511 CG1 VAL A 35 23.595 3.001 4.407 1.00 13.03 C ATOM 512 CG2 VAL A 35 25.020 0.947 4.260 1.00 22.51 C ATOM 0 H VAL A 35 25.364 0.508 7.394 1.00 31.42 H new ATOM 0 HA VAL A 35 25.649 3.117 6.059 1.00 73.34 H new ATOM 0 HB VAL A 35 23.340 1.216 5.542 1.00 53.34 H new ATOM 0 HG11 VAL A 35 23.015 2.638 3.559 1.00 13.03 H new ATOM 0 HG12 VAL A 35 22.950 3.582 5.066 1.00 13.03 H new ATOM 0 HG13 VAL A 35 24.408 3.632 4.047 1.00 13.03 H new ATOM 0 HG21 VAL A 35 24.420 0.613 3.414 1.00 22.51 H new ATOM 0 HG22 VAL A 35 25.871 1.523 3.897 1.00 22.51 H new ATOM 0 HG23 VAL A 35 25.379 0.080 4.815 1.00 22.51 H new ATOM 522 N SER A 36 23.824 4.124 7.469 1.00 2.33 N ATOM 523 CA SER A 36 22.940 4.740 8.452 1.00 23.33 C ATOM 524 C SER A 36 21.911 5.637 7.771 1.00 20.50 C ATOM 525 O SER A 36 22.030 5.947 6.585 1.00 23.04 O ATOM 526 CB SER A 36 23.753 5.553 9.462 1.00 71.41 C ATOM 527 OG SER A 36 24.156 6.794 8.911 1.00 52.42 O ATOM 0 H SER A 36 24.243 4.779 6.809 1.00 2.33 H new ATOM 0 HA SER A 36 22.412 3.945 8.978 1.00 23.33 H new ATOM 0 HB2 SER A 36 23.157 5.726 10.358 1.00 71.41 H new ATOM 0 HB3 SER A 36 24.632 4.985 9.768 1.00 71.41 H new ATOM 0 HG SER A 36 24.672 7.295 9.576 1.00 52.42 H new ATOM 533 N ILE A 37 20.901 6.049 8.529 1.00 31.14 N ATOM 534 CA ILE A 37 19.851 6.911 8.000 1.00 22.41 C ATOM 535 C ILE A 37 19.943 8.314 8.589 1.00 11.23 C ATOM 536 O ILE A 37 20.340 8.490 9.741 1.00 43.31 O ATOM 537 CB ILE A 37 18.452 6.335 8.289 1.00 51.55 C ATOM 538 CG1 ILE A 37 17.853 6.992 9.534 1.00 43.51 C ATOM 539 CG2 ILE A 37 18.525 4.826 8.463 1.00 64.12 C ATOM 540 CD1 ILE A 37 18.540 6.588 10.820 1.00 42.34 C ATOM 0 H ILE A 37 20.787 5.800 9.512 1.00 31.14 H new ATOM 0 HA ILE A 37 19.998 6.963 6.921 1.00 22.41 H new ATOM 0 HB ILE A 37 17.804 6.552 7.440 1.00 51.55 H new ATOM 0 HG12 ILE A 37 17.909 8.075 9.426 1.00 43.51 H new ATOM 0 HG13 ILE A 37 16.796 6.733 9.599 1.00 43.51 H new ATOM 0 HG21 ILE A 37 17.528 4.435 8.667 1.00 64.12 H new ATOM 0 HG22 ILE A 37 18.913 4.373 7.551 1.00 64.12 H new ATOM 0 HG23 ILE A 37 19.186 4.587 9.296 1.00 64.12 H new ATOM 0 HD11 ILE A 37 18.063 7.092 11.661 1.00 42.34 H new ATOM 0 HD12 ILE A 37 18.461 5.509 10.951 1.00 42.34 H new ATOM 0 HD13 ILE A 37 19.591 6.872 10.776 1.00 42.34 H new ATOM 552 N SER A 38 19.571 9.310 7.792 1.00 51.32 N ATOM 553 CA SER A 38 19.613 10.699 8.233 1.00 12.43 C ATOM 554 C SER A 38 19.200 11.641 7.106 1.00 62.44 C ATOM 555 O SER A 38 19.176 11.255 5.938 1.00 45.15 O ATOM 556 CB SER A 38 21.017 11.058 8.725 1.00 55.45 C ATOM 557 OG SER A 38 21.433 12.311 8.208 1.00 33.25 O ATOM 0 H SER A 38 19.237 9.181 6.837 1.00 51.32 H new ATOM 0 HA SER A 38 18.907 10.814 9.055 1.00 12.43 H new ATOM 0 HB2 SER A 38 21.027 11.089 9.815 1.00 55.45 H new ATOM 0 HB3 SER A 38 21.721 10.284 8.421 1.00 55.45 H new ATOM 0 HG SER A 38 21.028 13.032 8.733 1.00 33.25 H new ATOM 563 N GLY A 39 18.875 12.879 7.465 1.00 24.34 N ATOM 564 CA GLY A 39 18.468 13.857 6.474 1.00 73.44 C ATOM 565 C GLY A 39 18.050 15.174 7.096 1.00 43.20 C ATOM 566 O GLY A 39 18.212 16.233 6.491 1.00 3.34 O ATOM 0 H GLY A 39 18.886 13.222 8.426 1.00 24.34 H new ATOM 0 HA2 GLY A 39 19.291 14.031 5.781 1.00 73.44 H new ATOM 0 HA3 GLY A 39 17.640 13.455 5.891 1.00 73.44 H new ATOM 570 N GLY A 40 17.509 15.109 8.309 1.00 50.22 N ATOM 571 CA GLY A 40 17.074 16.313 8.992 1.00 14.03 C ATOM 572 C GLY A 40 17.288 16.239 10.491 1.00 20.50 C ATOM 573 O GLY A 40 18.422 16.134 10.958 1.00 20.22 O ATOM 0 H GLY A 40 17.364 14.244 8.830 1.00 50.22 H new ATOM 0 HA2 GLY A 40 17.617 17.170 8.593 1.00 14.03 H new ATOM 0 HA3 GLY A 40 16.017 16.481 8.787 1.00 14.03 H new ATOM 577 N SER A 41 16.196 16.294 11.247 1.00 2.30 N ATOM 578 CA SER A 41 16.270 16.238 12.702 1.00 3.12 C ATOM 579 C SER A 41 15.625 14.960 13.230 1.00 2.21 C ATOM 580 O SER A 41 14.845 14.312 12.534 1.00 63.22 O ATOM 581 CB SER A 41 15.585 17.460 13.317 1.00 40.25 C ATOM 582 OG SER A 41 15.906 18.639 12.599 1.00 54.23 O ATOM 0 H SER A 41 15.250 16.377 10.876 1.00 2.30 H new ATOM 0 HA SER A 41 17.322 16.239 12.987 1.00 3.12 H new ATOM 0 HB2 SER A 41 14.505 17.314 13.318 1.00 40.25 H new ATOM 0 HB3 SER A 41 15.893 17.568 14.357 1.00 40.25 H new ATOM 0 HG SER A 41 15.481 19.410 13.029 1.00 54.23 H new ATOM 588 N GLY A 42 15.958 14.604 14.467 1.00 15.34 N ATOM 589 CA GLY A 42 15.403 13.406 15.069 1.00 73.22 C ATOM 590 C GLY A 42 13.890 13.363 14.987 1.00 13.34 C ATOM 591 O GLY A 42 13.212 14.299 15.412 1.00 10.30 O ATOM 0 H GLY A 42 16.602 15.124 15.063 1.00 15.34 H new ATOM 0 HA2 GLY A 42 15.816 12.528 14.571 1.00 73.22 H new ATOM 0 HA3 GLY A 42 15.709 13.353 16.114 1.00 73.22 H new ATOM 595 N ASP A 43 13.359 12.276 14.439 1.00 13.03 N ATOM 596 CA ASP A 43 11.916 12.115 14.303 1.00 53.42 C ATOM 597 C ASP A 43 11.566 10.699 13.856 1.00 4.21 C ATOM 598 O ASP A 43 10.569 10.128 14.295 1.00 72.20 O ATOM 599 CB ASP A 43 11.360 13.131 13.303 1.00 64.44 C ATOM 600 CG ASP A 43 9.940 13.547 13.629 1.00 53.13 C ATOM 601 OD1 ASP A 43 9.024 12.716 13.457 1.00 30.12 O ATOM 602 OD2 ASP A 43 9.743 14.705 14.055 1.00 64.23 O ATOM 0 H ASP A 43 13.906 11.493 14.082 1.00 13.03 H new ATOM 0 HA ASP A 43 11.462 12.291 15.278 1.00 53.42 H new ATOM 0 HB2 ASP A 43 12.000 14.013 13.292 1.00 64.44 H new ATOM 0 HB3 ASP A 43 11.389 12.703 12.301 1.00 64.44 H new ATOM 607 N ALA A 44 12.394 10.139 12.980 1.00 42.50 N ATOM 608 CA ALA A 44 12.173 8.790 12.475 1.00 44.24 C ATOM 609 C ALA A 44 13.059 7.781 13.198 1.00 13.21 C ATOM 610 O ALA A 44 14.272 7.965 13.299 1.00 52.33 O ATOM 611 CB ALA A 44 12.429 8.740 10.975 1.00 33.25 C ATOM 0 H ALA A 44 13.224 10.599 12.606 1.00 42.50 H new ATOM 0 HA ALA A 44 11.133 8.523 12.665 1.00 44.24 H new ATOM 0 HB1 ALA A 44 12.260 7.727 10.611 1.00 33.25 H new ATOM 0 HB2 ALA A 44 11.751 9.426 10.467 1.00 33.25 H new ATOM 0 HB3 ALA A 44 13.459 9.032 10.772 1.00 33.25 H new ATOM 617 N ASP A 45 12.445 6.716 13.701 1.00 75.01 N ATOM 618 CA ASP A 45 13.177 5.677 14.415 1.00 4.13 C ATOM 619 C ASP A 45 13.389 4.454 13.529 1.00 74.32 C ATOM 620 O ASP A 45 12.433 3.886 12.998 1.00 21.10 O ATOM 621 CB ASP A 45 12.428 5.277 15.687 1.00 10.53 C ATOM 622 CG ASP A 45 12.349 6.409 16.693 1.00 43.43 C ATOM 623 OD1 ASP A 45 12.969 7.465 16.447 1.00 54.25 O ATOM 624 OD2 ASP A 45 11.669 6.239 17.726 1.00 10.14 O ATOM 0 H ASP A 45 11.441 6.550 13.627 1.00 75.01 H new ATOM 0 HA ASP A 45 14.153 6.078 14.689 1.00 4.13 H new ATOM 0 HB2 ASP A 45 11.420 4.956 15.426 1.00 10.53 H new ATOM 0 HB3 ASP A 45 12.926 4.422 16.145 1.00 10.53 H new ATOM 629 N LEU A 46 14.645 4.053 13.372 1.00 45.31 N ATOM 630 CA LEU A 46 14.983 2.897 12.548 1.00 0.45 C ATOM 631 C LEU A 46 15.031 1.626 13.389 1.00 24.51 C ATOM 632 O LEU A 46 15.678 1.585 14.436 1.00 2.40 O ATOM 633 CB LEU A 46 16.329 3.116 11.855 1.00 21.34 C ATOM 634 CG LEU A 46 17.036 1.857 11.350 1.00 54.53 C ATOM 635 CD1 LEU A 46 17.848 2.166 10.102 1.00 52.43 C ATOM 636 CD2 LEU A 46 17.926 1.273 12.436 1.00 31.54 C ATOM 0 H LEU A 46 15.447 4.511 13.804 1.00 45.31 H new ATOM 0 HA LEU A 46 14.207 2.781 11.791 1.00 0.45 H new ATOM 0 HB2 LEU A 46 16.175 3.786 11.009 1.00 21.34 H new ATOM 0 HB3 LEU A 46 16.994 3.628 12.550 1.00 21.34 H new ATOM 0 HG LEU A 46 16.279 1.117 11.092 1.00 54.53 H new ATOM 0 HD11 LEU A 46 18.344 1.259 9.757 1.00 52.43 H new ATOM 0 HD12 LEU A 46 17.186 2.538 9.320 1.00 52.43 H new ATOM 0 HD13 LEU A 46 18.597 2.923 10.333 1.00 52.43 H new ATOM 0 HD21 LEU A 46 18.421 0.378 12.059 1.00 31.54 H new ATOM 0 HD22 LEU A 46 18.677 2.008 12.725 1.00 31.54 H new ATOM 0 HD23 LEU A 46 17.319 1.014 13.303 1.00 31.54 H new ATOM 648 N TYR A 47 14.345 0.588 12.923 1.00 41.20 N ATOM 649 CA TYR A 47 14.310 -0.686 13.632 1.00 55.52 C ATOM 650 C TYR A 47 14.572 -1.847 12.678 1.00 23.13 C ATOM 651 O TYR A 47 14.228 -1.787 11.497 1.00 10.22 O ATOM 652 CB TYR A 47 12.956 -0.872 14.320 1.00 25.32 C ATOM 653 CG TYR A 47 12.727 0.080 15.472 1.00 34.21 C ATOM 654 CD1 TYR A 47 13.233 -0.194 16.737 1.00 41.12 C ATOM 655 CD2 TYR A 47 12.002 1.252 15.296 1.00 3.34 C ATOM 656 CE1 TYR A 47 13.025 0.673 17.792 1.00 21.45 C ATOM 657 CE2 TYR A 47 11.791 2.125 16.346 1.00 54.22 C ATOM 658 CZ TYR A 47 12.304 1.831 17.592 1.00 73.11 C ATOM 659 OH TYR A 47 12.094 2.697 18.640 1.00 12.32 O ATOM 0 H TYR A 47 13.806 0.604 12.057 1.00 41.20 H new ATOM 0 HA TYR A 47 15.096 -0.676 14.387 1.00 55.52 H new ATOM 0 HB2 TYR A 47 12.163 -0.737 13.585 1.00 25.32 H new ATOM 0 HB3 TYR A 47 12.881 -1.896 14.685 1.00 25.32 H new ATOM 0 HD1 TYR A 47 13.798 -1.100 16.898 1.00 41.12 H new ATOM 0 HD2 TYR A 47 11.597 1.485 14.322 1.00 3.34 H new ATOM 0 HE1 TYR A 47 13.425 0.445 18.769 1.00 21.45 H new ATOM 0 HE2 TYR A 47 11.227 3.033 16.192 1.00 54.22 H new ATOM 0 HH TYR A 47 11.569 3.464 18.330 1.00 12.32 H new ATOM 669 N LEU A 48 15.184 -2.905 13.200 1.00 42.34 N ATOM 670 CA LEU A 48 15.494 -4.083 12.396 1.00 13.45 C ATOM 671 C LEU A 48 15.395 -5.354 13.234 1.00 42.22 C ATOM 672 O LEU A 48 15.761 -5.366 14.409 1.00 21.13 O ATOM 673 CB LEU A 48 16.895 -3.961 11.796 1.00 4.02 C ATOM 674 CG LEU A 48 17.045 -4.415 10.344 1.00 63.31 C ATOM 675 CD1 LEU A 48 18.462 -4.167 9.851 1.00 63.15 C ATOM 676 CD2 LEU A 48 16.680 -5.886 10.205 1.00 40.03 C ATOM 0 H LEU A 48 15.475 -2.971 14.175 1.00 42.34 H new ATOM 0 HA LEU A 48 14.765 -4.144 11.588 1.00 13.45 H new ATOM 0 HB2 LEU A 48 17.208 -2.919 11.864 1.00 4.02 H new ATOM 0 HB3 LEU A 48 17.583 -4.542 12.410 1.00 4.02 H new ATOM 0 HG LEU A 48 16.361 -3.831 9.728 1.00 63.31 H new ATOM 0 HD11 LEU A 48 18.550 -4.496 8.816 1.00 63.15 H new ATOM 0 HD12 LEU A 48 18.688 -3.103 9.914 1.00 63.15 H new ATOM 0 HD13 LEU A 48 19.165 -4.724 10.470 1.00 63.15 H new ATOM 0 HD21 LEU A 48 16.792 -6.192 9.165 1.00 40.03 H new ATOM 0 HD22 LEU A 48 17.339 -6.485 10.833 1.00 40.03 H new ATOM 0 HD23 LEU A 48 15.646 -6.036 10.517 1.00 40.03 H new ATOM 688 N LYS A 49 14.900 -6.423 12.620 1.00 24.41 N ATOM 689 CA LYS A 49 14.757 -7.702 13.306 1.00 14.34 C ATOM 690 C LYS A 49 14.847 -8.862 12.320 1.00 4.13 C ATOM 691 O LYS A 49 14.021 -8.987 11.417 1.00 34.55 O ATOM 692 CB LYS A 49 13.422 -7.756 14.053 1.00 74.04 C ATOM 693 CG LYS A 49 13.554 -8.173 15.507 1.00 23.20 C ATOM 694 CD LYS A 49 12.386 -9.040 15.947 1.00 2.54 C ATOM 695 CE LYS A 49 12.694 -9.772 17.244 1.00 34.34 C ATOM 696 NZ LYS A 49 13.559 -10.962 17.017 1.00 23.42 N ATOM 0 H LYS A 49 14.591 -6.429 11.648 1.00 24.41 H new ATOM 0 HA LYS A 49 15.573 -7.795 14.023 1.00 14.34 H new ATOM 0 HB2 LYS A 49 12.950 -6.775 14.007 1.00 74.04 H new ATOM 0 HB3 LYS A 49 12.758 -8.454 13.543 1.00 74.04 H new ATOM 0 HG2 LYS A 49 14.487 -8.720 15.646 1.00 23.20 H new ATOM 0 HG3 LYS A 49 13.607 -7.285 16.138 1.00 23.20 H new ATOM 0 HD2 LYS A 49 11.500 -8.419 16.080 1.00 2.54 H new ATOM 0 HD3 LYS A 49 12.154 -9.764 15.166 1.00 2.54 H new ATOM 0 HE2 LYS A 49 13.188 -9.091 17.937 1.00 34.34 H new ATOM 0 HE3 LYS A 49 11.762 -10.085 17.715 1.00 34.34 H new ATOM 0 HZ1 LYS A 49 13.718 -11.453 17.920 1.00 23.42 H new ATOM 0 HZ2 LYS A 49 13.092 -11.608 16.349 1.00 23.42 H new ATOM 0 HZ3 LYS A 49 14.472 -10.657 16.623 1.00 23.42 H new ATOM 710 N ALA A 50 15.856 -9.708 12.500 1.00 22.15 N ATOM 711 CA ALA A 50 16.052 -10.860 11.629 1.00 42.23 C ATOM 712 C ALA A 50 14.896 -11.846 11.754 1.00 60.21 C ATOM 713 O ALA A 50 14.584 -12.317 12.847 1.00 44.20 O ATOM 714 CB ALA A 50 17.371 -11.546 11.950 1.00 64.40 C ATOM 0 H ALA A 50 16.550 -9.617 13.241 1.00 22.15 H new ATOM 0 HA ALA A 50 16.082 -10.505 10.599 1.00 42.23 H new ATOM 0 HB1 ALA A 50 17.504 -12.405 11.292 1.00 64.40 H new ATOM 0 HB2 ALA A 50 18.192 -10.844 11.802 1.00 64.40 H new ATOM 0 HB3 ALA A 50 17.364 -11.882 12.987 1.00 64.40 H new ATOM 720 N GLY A 51 14.262 -12.155 10.626 1.00 3.43 N ATOM 721 CA GLY A 51 13.147 -13.083 10.632 1.00 12.24 C ATOM 722 C GLY A 51 11.806 -12.378 10.689 1.00 2.31 C ATOM 723 O GLY A 51 11.160 -12.175 9.661 1.00 11.13 O ATOM 0 H GLY A 51 14.501 -11.779 9.709 1.00 3.43 H new ATOM 0 HA2 GLY A 51 13.190 -13.704 9.737 1.00 12.24 H new ATOM 0 HA3 GLY A 51 13.239 -13.751 11.488 1.00 12.24 H new ATOM 727 N SER A 52 11.386 -12.004 11.894 1.00 60.53 N ATOM 728 CA SER A 52 10.111 -11.323 12.081 1.00 14.11 C ATOM 729 C SER A 52 10.298 -9.809 12.076 1.00 52.24 C ATOM 730 O SER A 52 11.411 -9.309 11.912 1.00 61.33 O ATOM 731 CB SER A 52 9.461 -11.763 13.395 1.00 63.14 C ATOM 732 OG SER A 52 9.299 -13.170 13.437 1.00 60.22 O ATOM 0 H SER A 52 11.910 -12.161 12.755 1.00 60.53 H new ATOM 0 HA SER A 52 9.458 -11.594 11.252 1.00 14.11 H new ATOM 0 HB2 SER A 52 10.076 -11.439 14.235 1.00 63.14 H new ATOM 0 HB3 SER A 52 8.491 -11.279 13.505 1.00 63.14 H new ATOM 0 HG SER A 52 8.883 -13.426 14.287 1.00 60.22 H new ATOM 738 N LYS A 53 9.200 -9.083 12.256 1.00 53.32 N ATOM 739 CA LYS A 53 9.240 -7.625 12.273 1.00 30.33 C ATOM 740 C LYS A 53 9.423 -7.103 13.695 1.00 71.03 C ATOM 741 O LYS A 53 8.771 -7.555 14.636 1.00 24.05 O ATOM 742 CB LYS A 53 7.956 -7.052 11.669 1.00 1.13 C ATOM 743 CG LYS A 53 6.790 -7.016 12.641 1.00 35.44 C ATOM 744 CD LYS A 53 6.718 -5.690 13.379 1.00 43.22 C ATOM 745 CE LYS A 53 5.914 -4.661 12.599 1.00 34.20 C ATOM 746 NZ LYS A 53 6.663 -4.149 11.419 1.00 63.45 N ATOM 0 H LYS A 53 8.271 -9.481 12.392 1.00 53.32 H new ATOM 0 HA LYS A 53 10.091 -7.302 11.674 1.00 30.33 H new ATOM 0 HB2 LYS A 53 8.152 -6.041 11.312 1.00 1.13 H new ATOM 0 HB3 LYS A 53 7.676 -7.648 10.800 1.00 1.13 H new ATOM 0 HG2 LYS A 53 5.859 -7.183 12.099 1.00 35.44 H new ATOM 0 HG3 LYS A 53 6.890 -7.829 13.361 1.00 35.44 H new ATOM 0 HD2 LYS A 53 6.264 -5.842 14.358 1.00 43.22 H new ATOM 0 HD3 LYS A 53 7.726 -5.312 13.550 1.00 43.22 H new ATOM 0 HE2 LYS A 53 4.977 -5.108 12.268 1.00 34.20 H new ATOM 0 HE3 LYS A 53 5.656 -3.829 13.254 1.00 34.20 H new ATOM 0 HZ1 LYS A 53 6.246 -3.249 11.107 1.00 63.45 H new ATOM 0 HZ2 LYS A 53 7.659 -3.997 11.679 1.00 63.45 H new ATOM 0 HZ3 LYS A 53 6.609 -4.842 10.646 1.00 63.45 H new ATOM 760 N PRO A 54 10.329 -6.127 13.856 1.00 62.44 N ATOM 761 CA PRO A 54 10.617 -5.521 15.159 1.00 70.31 C ATOM 762 C PRO A 54 9.462 -4.666 15.668 1.00 33.34 C ATOM 763 O PRO A 54 8.806 -3.966 14.897 1.00 41.54 O ATOM 764 CB PRO A 54 11.845 -4.650 14.882 1.00 70.52 C ATOM 765 CG PRO A 54 11.766 -4.337 13.428 1.00 45.34 C ATOM 766 CD PRO A 54 11.142 -5.540 12.777 1.00 24.43 C ATOM 0 HA PRO A 54 10.776 -6.273 15.932 1.00 70.31 H new ATOM 0 HB2 PRO A 54 11.830 -3.741 15.484 1.00 70.52 H new ATOM 0 HB3 PRO A 54 12.768 -5.178 15.124 1.00 70.52 H new ATOM 0 HG2 PRO A 54 11.166 -3.444 13.253 1.00 45.34 H new ATOM 0 HG3 PRO A 54 12.756 -4.141 13.017 1.00 45.34 H new ATOM 0 HD2 PRO A 54 10.530 -5.261 11.919 1.00 24.43 H new ATOM 0 HD3 PRO A 54 11.897 -6.239 12.417 1.00 24.43 H new ATOM 774 N THR A 55 9.217 -4.728 16.974 1.00 54.23 N ATOM 775 CA THR A 55 8.140 -3.960 17.586 1.00 10.12 C ATOM 776 C THR A 55 8.682 -2.731 18.306 1.00 2.35 C ATOM 777 O THR A 55 9.891 -2.499 18.338 1.00 24.22 O ATOM 778 CB THR A 55 7.339 -4.815 18.586 1.00 55.30 C ATOM 779 OG1 THR A 55 7.917 -4.713 19.892 1.00 65.23 O ATOM 780 CG2 THR A 55 7.310 -6.272 18.150 1.00 34.04 C ATOM 0 H THR A 55 9.750 -5.302 17.627 1.00 54.23 H new ATOM 0 HA THR A 55 7.479 -3.643 16.779 1.00 10.12 H new ATOM 0 HB THR A 55 6.316 -4.440 18.613 1.00 55.30 H new ATOM 0 HG1 THR A 55 7.401 -5.258 20.522 1.00 65.23 H new ATOM 0 HG21 THR A 55 6.739 -6.856 18.871 1.00 34.04 H new ATOM 0 HG22 THR A 55 6.842 -6.349 17.169 1.00 34.04 H new ATOM 0 HG23 THR A 55 8.329 -6.656 18.097 1.00 34.04 H new ATOM 788 N THR A 56 7.780 -1.944 18.886 1.00 45.25 N ATOM 789 CA THR A 56 8.168 -0.738 19.605 1.00 5.54 C ATOM 790 C THR A 56 8.983 -1.077 20.848 1.00 22.13 C ATOM 791 O THR A 56 9.613 -0.205 21.447 1.00 54.11 O ATOM 792 CB THR A 56 6.937 0.088 20.023 1.00 50.44 C ATOM 793 OG1 THR A 56 6.041 -0.722 20.792 1.00 43.13 O ATOM 794 CG2 THR A 56 6.213 0.635 18.801 1.00 31.34 C ATOM 0 H THR A 56 6.776 -2.121 18.871 1.00 45.25 H new ATOM 0 HA THR A 56 8.779 -0.147 18.923 1.00 5.54 H new ATOM 0 HB THR A 56 7.278 0.927 20.630 1.00 50.44 H new ATOM 0 HG1 THR A 56 5.262 -0.189 21.055 1.00 43.13 H new ATOM 0 HG21 THR A 56 5.347 1.215 19.120 1.00 31.34 H new ATOM 0 HG22 THR A 56 6.889 1.275 18.234 1.00 31.34 H new ATOM 0 HG23 THR A 56 5.884 -0.192 18.173 1.00 31.34 H new ATOM 802 N SER A 57 8.968 -2.350 21.231 1.00 15.10 N ATOM 803 CA SER A 57 9.703 -2.804 22.405 1.00 20.14 C ATOM 804 C SER A 57 10.711 -3.886 22.030 1.00 3.21 C ATOM 805 O SER A 57 11.727 -4.063 22.702 1.00 44.21 O ATOM 806 CB SER A 57 8.736 -3.337 23.464 1.00 20.51 C ATOM 807 OG SER A 57 8.042 -2.279 24.100 1.00 14.43 O ATOM 0 H SER A 57 8.455 -3.085 20.745 1.00 15.10 H new ATOM 0 HA SER A 57 10.246 -1.952 22.815 1.00 20.14 H new ATOM 0 HB2 SER A 57 8.022 -4.017 22.999 1.00 20.51 H new ATOM 0 HB3 SER A 57 9.287 -3.913 24.207 1.00 20.51 H new ATOM 0 HG SER A 57 7.429 -2.646 24.771 1.00 14.43 H new ATOM 813 N SER A 58 10.422 -4.607 20.952 1.00 60.13 N ATOM 814 CA SER A 58 11.300 -5.675 20.488 1.00 44.41 C ATOM 815 C SER A 58 12.117 -5.221 19.282 1.00 40.42 C ATOM 816 O SER A 58 11.566 -4.751 18.287 1.00 55.25 O ATOM 817 CB SER A 58 10.483 -6.916 20.126 1.00 15.13 C ATOM 818 OG SER A 58 10.876 -8.031 20.907 1.00 30.10 O ATOM 0 H SER A 58 9.586 -4.471 20.383 1.00 60.13 H new ATOM 0 HA SER A 58 11.986 -5.924 21.297 1.00 44.41 H new ATOM 0 HB2 SER A 58 9.423 -6.715 20.281 1.00 15.13 H new ATOM 0 HB3 SER A 58 10.613 -7.145 19.068 1.00 15.13 H new ATOM 0 HG SER A 58 10.338 -8.811 20.658 1.00 30.10 H new ATOM 824 N TRP A 59 13.434 -5.364 19.379 1.00 34.51 N ATOM 825 CA TRP A 59 14.328 -4.969 18.296 1.00 34.34 C ATOM 826 C TRP A 59 15.597 -5.814 18.303 1.00 73.24 C ATOM 827 O TRP A 59 16.009 -6.324 19.345 1.00 73.44 O ATOM 828 CB TRP A 59 14.686 -3.487 18.419 1.00 60.44 C ATOM 829 CG TRP A 59 14.380 -2.912 19.768 1.00 3.33 C ATOM 830 CD1 TRP A 59 13.196 -2.370 20.179 1.00 32.11 C ATOM 831 CD2 TRP A 59 15.274 -2.819 20.883 1.00 43.22 C ATOM 832 NE1 TRP A 59 13.300 -1.946 21.482 1.00 74.10 N ATOM 833 CE2 TRP A 59 14.564 -2.211 21.937 1.00 43.24 C ATOM 834 CE3 TRP A 59 16.604 -3.192 21.094 1.00 43.22 C ATOM 835 CZ2 TRP A 59 15.142 -1.968 23.180 1.00 51.41 C ATOM 836 CZ3 TRP A 59 17.176 -2.949 22.328 1.00 22.42 C ATOM 837 CH2 TRP A 59 16.446 -2.343 23.359 1.00 53.13 C ATOM 0 H TRP A 59 13.907 -5.750 20.196 1.00 34.51 H new ATOM 0 HA TRP A 59 13.810 -5.133 17.351 1.00 34.34 H new ATOM 0 HB2 TRP A 59 15.748 -3.359 18.210 1.00 60.44 H new ATOM 0 HB3 TRP A 59 14.141 -2.925 17.660 1.00 60.44 H new ATOM 0 HD1 TRP A 59 12.308 -2.287 19.570 1.00 32.11 H new ATOM 0 HE1 TRP A 59 12.556 -1.505 22.023 1.00 74.10 H new ATOM 0 HE3 TRP A 59 17.175 -3.662 20.307 1.00 43.22 H new ATOM 0 HZ2 TRP A 59 14.581 -1.500 23.975 1.00 51.41 H new ATOM 0 HZ3 TRP A 59 18.204 -3.231 22.501 1.00 22.42 H new ATOM 0 HH2 TRP A 59 16.921 -2.169 24.313 1.00 53.13 H new ATOM 848 N ASP A 60 16.212 -5.958 17.134 1.00 22.02 N ATOM 849 CA ASP A 60 17.436 -6.741 17.006 1.00 40.41 C ATOM 850 C ASP A 60 18.637 -5.834 16.756 1.00 1.12 C ATOM 851 O ASP A 60 19.764 -6.162 17.131 1.00 74.13 O ATOM 852 CB ASP A 60 17.302 -7.754 15.869 1.00 75.53 C ATOM 853 CG ASP A 60 18.464 -8.727 15.819 1.00 13.34 C ATOM 854 OD1 ASP A 60 18.471 -9.685 16.621 1.00 53.23 O ATOM 855 OD2 ASP A 60 19.366 -8.530 14.979 1.00 71.11 O ATOM 0 H ASP A 60 15.883 -5.543 16.262 1.00 22.02 H new ATOM 0 HA ASP A 60 17.595 -7.276 17.942 1.00 40.41 H new ATOM 0 HB2 ASP A 60 16.372 -8.310 15.989 1.00 75.53 H new ATOM 0 HB3 ASP A 60 17.236 -7.223 14.919 1.00 75.53 H new ATOM 860 N CYS A 61 18.389 -4.694 16.121 1.00 2.10 N ATOM 861 CA CYS A 61 19.451 -3.740 15.819 1.00 31.23 C ATOM 862 C CYS A 61 18.998 -2.313 16.108 1.00 54.21 C ATOM 863 O CYS A 61 17.984 -1.854 15.581 1.00 60.33 O ATOM 864 CB CYS A 61 19.878 -3.867 14.356 1.00 11.32 C ATOM 865 SG CYS A 61 20.494 -5.506 13.906 1.00 3.22 S ATOM 0 H CYS A 61 17.462 -4.408 15.805 1.00 2.10 H new ATOM 0 HA CYS A 61 20.303 -3.967 16.459 1.00 31.23 H new ATOM 0 HB2 CYS A 61 19.029 -3.622 13.718 1.00 11.32 H new ATOM 0 HB3 CYS A 61 20.654 -3.130 14.150 1.00 11.32 H new ATOM 0 HG CYS A 61 19.701 -6.415 14.390 1.00 3.22 H new ATOM 871 N ARG A 62 19.754 -1.616 16.949 1.00 3.14 N ATOM 872 CA ARG A 62 19.429 -0.241 17.311 1.00 73.54 C ATOM 873 C ARG A 62 20.523 0.365 18.184 1.00 62.10 C ATOM 874 O ARG A 62 20.909 -0.190 19.213 1.00 20.00 O ATOM 875 CB ARG A 62 18.088 -0.189 18.045 1.00 53.43 C ATOM 876 CG ARG A 62 17.626 1.223 18.369 1.00 60.22 C ATOM 877 CD ARG A 62 16.110 1.336 18.330 1.00 20.33 C ATOM 878 NE ARG A 62 15.654 2.228 17.268 1.00 64.14 N ATOM 879 CZ ARG A 62 15.861 3.540 17.271 1.00 51.12 C ATOM 880 NH1 ARG A 62 16.512 4.110 18.275 1.00 25.42 N ATOM 881 NH2 ARG A 62 15.416 4.285 16.267 1.00 14.43 N ATOM 0 H ARG A 62 20.597 -1.981 17.393 1.00 3.14 H new ATOM 0 HA ARG A 62 19.357 0.343 16.393 1.00 73.54 H new ATOM 0 HB2 ARG A 62 17.330 -0.679 17.434 1.00 53.43 H new ATOM 0 HB3 ARG A 62 18.168 -0.758 18.971 1.00 53.43 H new ATOM 0 HG2 ARG A 62 17.988 1.508 19.357 1.00 60.22 H new ATOM 0 HG3 ARG A 62 18.063 1.922 17.656 1.00 60.22 H new ATOM 0 HD2 ARG A 62 15.677 0.347 18.183 1.00 20.33 H new ATOM 0 HD3 ARG A 62 15.749 1.703 19.291 1.00 20.33 H new ATOM 0 HE ARG A 62 15.149 1.821 16.481 1.00 64.14 H new ATOM 0 HH11 ARG A 62 16.856 3.541 19.048 1.00 25.42 H new ATOM 0 HH12 ARG A 62 16.669 5.118 18.274 1.00 25.42 H new ATOM 0 HH21 ARG A 62 14.915 3.850 15.492 1.00 14.43 H new ATOM 0 HH22 ARG A 62 15.575 5.292 16.270 1.00 14.43 H new ATOM 895 N PRO A 63 21.036 1.531 17.765 1.00 5.23 N ATOM 896 CA PRO A 63 22.093 2.238 18.495 1.00 44.34 C ATOM 897 C PRO A 63 21.598 2.818 19.815 1.00 2.12 C ATOM 898 O PRO A 63 22.371 3.396 20.579 1.00 5.41 O ATOM 899 CB PRO A 63 22.496 3.361 17.535 1.00 3.03 C ATOM 900 CG PRO A 63 21.289 3.591 16.693 1.00 63.43 C ATOM 901 CD PRO A 63 20.624 2.250 16.548 1.00 62.22 C ATOM 0 HA PRO A 63 22.914 1.575 18.767 1.00 44.34 H new ATOM 0 HB2 PRO A 63 22.778 4.263 18.078 1.00 3.03 H new ATOM 0 HB3 PRO A 63 23.354 3.073 16.927 1.00 3.03 H new ATOM 0 HG2 PRO A 63 20.618 4.311 17.161 1.00 63.43 H new ATOM 0 HG3 PRO A 63 21.564 3.998 15.720 1.00 63.43 H new ATOM 0 HD2 PRO A 63 19.540 2.344 16.484 1.00 62.22 H new ATOM 0 HD3 PRO A 63 20.953 1.734 15.646 1.00 62.22 H new ATOM 909 N TYR A 64 20.306 2.659 20.078 1.00 51.30 N ATOM 910 CA TYR A 64 19.707 3.169 21.306 1.00 64.11 C ATOM 911 C TYR A 64 19.646 4.693 21.290 1.00 1.33 C ATOM 912 O TYR A 64 20.593 5.368 21.696 1.00 35.14 O ATOM 913 CB TYR A 64 20.503 2.692 22.522 1.00 20.11 C ATOM 914 CG TYR A 64 20.952 1.251 22.425 1.00 13.30 C ATOM 915 CD1 TYR A 64 20.027 0.214 22.413 1.00 54.52 C ATOM 916 CD2 TYR A 64 22.300 0.927 22.346 1.00 23.35 C ATOM 917 CE1 TYR A 64 20.432 -1.103 22.325 1.00 72.41 C ATOM 918 CE2 TYR A 64 22.715 -0.388 22.257 1.00 75.12 C ATOM 919 CZ TYR A 64 21.777 -1.399 22.247 1.00 73.53 C ATOM 920 OH TYR A 64 22.185 -2.711 22.159 1.00 43.51 O ATOM 0 H TYR A 64 19.653 2.181 19.457 1.00 51.30 H new ATOM 0 HA TYR A 64 18.690 2.784 21.372 1.00 64.11 H new ATOM 0 HB2 TYR A 64 21.379 3.329 22.645 1.00 20.11 H new ATOM 0 HB3 TYR A 64 19.892 2.814 23.416 1.00 20.11 H new ATOM 0 HD1 TYR A 64 18.973 0.442 22.474 1.00 54.52 H new ATOM 0 HD2 TYR A 64 23.037 1.717 22.354 1.00 23.35 H new ATOM 0 HE1 TYR A 64 19.700 -1.897 22.317 1.00 72.41 H new ATOM 0 HE2 TYR A 64 23.767 -0.623 22.196 1.00 75.12 H new ATOM 0 HH TYR A 64 23.163 -2.747 22.111 1.00 43.51 H new ATOM 930 N ARG A 65 18.525 5.229 20.819 1.00 50.02 N ATOM 931 CA ARG A 65 18.339 6.673 20.749 1.00 12.31 C ATOM 932 C ARG A 65 16.950 7.017 20.219 1.00 11.52 C ATOM 933 O ARG A 65 16.084 6.149 20.107 1.00 65.14 O ATOM 934 CB ARG A 65 19.408 7.304 19.855 1.00 1.22 C ATOM 935 CG ARG A 65 20.337 8.254 20.594 1.00 14.11 C ATOM 936 CD ARG A 65 21.664 8.412 19.869 1.00 52.22 C ATOM 937 NE ARG A 65 22.715 8.908 20.753 1.00 11.40 N ATOM 938 CZ ARG A 65 23.326 8.157 21.662 1.00 12.14 C ATOM 939 NH1 ARG A 65 22.992 6.882 21.806 1.00 1.03 N ATOM 940 NH2 ARG A 65 24.273 8.681 22.430 1.00 50.01 N ATOM 0 H ARG A 65 17.732 4.685 20.480 1.00 50.02 H new ATOM 0 HA ARG A 65 18.435 7.076 21.757 1.00 12.31 H new ATOM 0 HB2 ARG A 65 20.001 6.512 19.398 1.00 1.22 H new ATOM 0 HB3 ARG A 65 18.919 7.845 19.045 1.00 1.22 H new ATOM 0 HG2 ARG A 65 19.858 9.228 20.695 1.00 14.11 H new ATOM 0 HG3 ARG A 65 20.514 7.880 21.602 1.00 14.11 H new ATOM 0 HD2 ARG A 65 21.965 7.451 19.451 1.00 52.22 H new ATOM 0 HD3 ARG A 65 21.540 9.099 19.032 1.00 52.22 H new ATOM 0 HE ARG A 65 22.995 9.885 20.668 1.00 11.40 H new ATOM 0 HH11 ARG A 65 22.264 6.476 21.218 1.00 1.03 H new ATOM 0 HH12 ARG A 65 23.463 6.307 22.505 1.00 1.03 H new ATOM 0 HH21 ARG A 65 24.532 9.662 22.322 1.00 50.01 H new ATOM 0 HH22 ARG A 65 24.742 8.103 23.128 1.00 50.01 H new ATOM 954 N TYR A 66 16.744 8.289 19.896 1.00 2.42 N ATOM 955 CA TYR A 66 15.460 8.749 19.381 1.00 11.12 C ATOM 956 C TYR A 66 15.650 9.621 18.144 1.00 12.50 C ATOM 957 O TYR A 66 16.421 10.580 18.159 1.00 71.15 O ATOM 958 CB TYR A 66 14.705 9.530 20.458 1.00 33.43 C ATOM 959 CG TYR A 66 13.648 10.458 19.904 1.00 12.22 C ATOM 960 CD1 TYR A 66 12.702 10.002 18.994 1.00 64.21 C ATOM 961 CD2 TYR A 66 13.595 11.792 20.290 1.00 61.10 C ATOM 962 CE1 TYR A 66 11.735 10.847 18.484 1.00 23.44 C ATOM 963 CE2 TYR A 66 12.631 12.643 19.787 1.00 52.41 C ATOM 964 CZ TYR A 66 11.703 12.166 18.884 1.00 3.23 C ATOM 965 OH TYR A 66 10.742 13.012 18.380 1.00 70.33 O ATOM 0 H TYR A 66 17.450 9.020 19.982 1.00 2.42 H new ATOM 0 HA TYR A 66 14.875 7.873 19.100 1.00 11.12 H new ATOM 0 HB2 TYR A 66 14.235 8.825 21.143 1.00 33.43 H new ATOM 0 HB3 TYR A 66 15.419 10.113 21.040 1.00 33.43 H new ATOM 0 HD1 TYR A 66 12.723 8.969 18.680 1.00 64.21 H new ATOM 0 HD2 TYR A 66 14.320 12.170 20.996 1.00 61.10 H new ATOM 0 HE1 TYR A 66 11.008 10.476 17.776 1.00 23.44 H new ATOM 0 HE2 TYR A 66 12.603 13.677 20.099 1.00 52.41 H new ATOM 0 HH TYR A 66 10.859 13.906 18.765 1.00 70.33 H new ATOM 975 N GLY A 67 14.939 9.281 17.073 1.00 12.31 N ATOM 976 CA GLY A 67 15.042 10.043 15.842 1.00 74.41 C ATOM 977 C GLY A 67 16.041 9.445 14.872 1.00 24.52 C ATOM 978 O GLY A 67 16.645 8.410 15.152 1.00 31.32 O ATOM 0 H GLY A 67 14.294 8.492 17.036 1.00 12.31 H new ATOM 0 HA2 GLY A 67 14.063 10.092 15.366 1.00 74.41 H new ATOM 0 HA3 GLY A 67 15.335 11.067 16.075 1.00 74.41 H new ATOM 982 N ASN A 68 16.216 10.097 13.727 1.00 31.43 N ATOM 983 CA ASN A 68 17.148 9.621 12.711 1.00 1.44 C ATOM 984 C ASN A 68 18.560 9.507 13.279 1.00 14.01 C ATOM 985 O ASN A 68 18.771 9.670 14.480 1.00 65.40 O ATOM 986 CB ASN A 68 17.146 10.564 11.506 1.00 11.14 C ATOM 987 CG ASN A 68 18.018 11.785 11.726 1.00 51.20 C ATOM 988 OD1 ASN A 68 18.744 12.212 10.829 1.00 45.44 O ATOM 989 ND2 ASN A 68 17.950 12.353 12.924 1.00 14.15 N ATOM 0 H ASN A 68 15.725 10.956 13.480 1.00 31.43 H new ATOM 0 HA ASN A 68 16.823 8.631 12.390 1.00 1.44 H new ATOM 0 HB2 ASN A 68 17.496 10.025 10.626 1.00 11.14 H new ATOM 0 HB3 ASN A 68 16.124 10.883 11.299 1.00 11.14 H new ATOM 0 HD21 ASN A 68 18.514 13.178 13.130 1.00 14.15 H new ATOM 0 HD22 ASN A 68 17.334 11.965 13.638 1.00 14.15 H new ATOM 996 N ASN A 69 19.522 9.227 12.406 1.00 32.31 N ATOM 997 CA ASN A 69 20.914 9.091 12.820 1.00 34.31 C ATOM 998 C ASN A 69 21.086 7.907 13.768 1.00 40.53 C ATOM 999 O ASN A 69 22.070 7.827 14.503 1.00 53.14 O ATOM 1000 CB ASN A 69 21.394 10.376 13.498 1.00 73.41 C ATOM 1001 CG ASN A 69 22.906 10.452 13.587 1.00 54.22 C ATOM 1002 OD1 ASN A 69 23.617 9.891 12.753 1.00 32.12 O ATOM 1003 ND2 ASN A 69 23.404 11.149 14.601 1.00 11.33 N ATOM 0 H ASN A 69 19.363 9.090 11.408 1.00 32.31 H new ATOM 0 HA ASN A 69 21.516 8.911 11.930 1.00 34.31 H new ATOM 0 HB2 ASN A 69 21.022 11.237 12.943 1.00 73.41 H new ATOM 0 HB3 ASN A 69 20.970 10.435 14.501 1.00 73.41 H new ATOM 0 HD21 ASN A 69 24.414 11.236 14.713 1.00 11.33 H new ATOM 0 HD22 ASN A 69 22.777 11.597 15.269 1.00 11.33 H new ATOM 1010 N GLU A 70 20.123 6.992 13.744 1.00 73.32 N ATOM 1011 CA GLU A 70 20.169 5.813 14.601 1.00 14.11 C ATOM 1012 C GLU A 70 20.095 4.534 13.772 1.00 13.11 C ATOM 1013 O GLU A 70 19.012 4.005 13.523 1.00 75.02 O ATOM 1014 CB GLU A 70 19.021 5.846 15.612 1.00 34.43 C ATOM 1015 CG GLU A 70 19.097 7.012 16.583 1.00 24.10 C ATOM 1016 CD GLU A 70 20.522 7.353 16.973 1.00 3.43 C ATOM 1017 OE1 GLU A 70 21.225 6.460 17.491 1.00 1.11 O ATOM 1018 OE2 GLU A 70 20.935 8.513 16.761 1.00 34.24 O ATOM 0 H GLU A 70 19.302 7.044 13.141 1.00 73.32 H new ATOM 0 HA GLU A 70 21.117 5.822 15.138 1.00 14.11 H new ATOM 0 HB2 GLU A 70 18.075 5.894 15.073 1.00 34.43 H new ATOM 0 HB3 GLU A 70 19.019 4.914 16.177 1.00 34.43 H new ATOM 0 HG2 GLU A 70 18.628 7.887 16.132 1.00 24.10 H new ATOM 0 HG3 GLU A 70 18.526 6.771 17.480 1.00 24.10 H new ATOM 1025 N SER A 71 21.255 4.043 13.348 1.00 54.25 N ATOM 1026 CA SER A 71 21.322 2.829 12.543 1.00 42.02 C ATOM 1027 C SER A 71 22.378 1.873 13.089 1.00 1.15 C ATOM 1028 O SER A 71 23.163 2.234 13.968 1.00 72.25 O ATOM 1029 CB SER A 71 21.636 3.174 11.086 1.00 51.32 C ATOM 1030 OG SER A 71 20.972 4.362 10.689 1.00 72.54 O ATOM 0 H SER A 71 22.161 4.467 13.548 1.00 54.25 H new ATOM 0 HA SER A 71 20.351 2.337 12.591 1.00 42.02 H new ATOM 0 HB2 SER A 71 22.712 3.296 10.962 1.00 51.32 H new ATOM 0 HB3 SER A 71 21.332 2.350 10.440 1.00 51.32 H new ATOM 0 HG SER A 71 21.354 5.126 11.169 1.00 72.54 H new ATOM 1036 N CYS A 72 22.391 0.653 12.564 1.00 10.11 N ATOM 1037 CA CYS A 72 23.350 -0.357 12.999 1.00 14.42 C ATOM 1038 C CYS A 72 24.233 -0.804 11.839 1.00 55.23 C ATOM 1039 O CYS A 72 23.835 -0.723 10.676 1.00 5.34 O ATOM 1040 CB CYS A 72 22.618 -1.561 13.593 1.00 24.33 C ATOM 1041 SG CYS A 72 23.358 -2.197 15.116 1.00 43.41 S ATOM 0 H CYS A 72 21.749 0.339 11.837 1.00 10.11 H new ATOM 0 HA CYS A 72 23.986 0.087 13.765 1.00 14.42 H new ATOM 0 HB2 CYS A 72 21.584 -1.281 13.793 1.00 24.33 H new ATOM 0 HB3 CYS A 72 22.594 -2.360 12.852 1.00 24.33 H new ATOM 0 HG CYS A 72 22.668 -3.212 15.543 1.00 43.41 H new ATOM 1047 N SER A 73 25.433 -1.274 12.162 1.00 32.43 N ATOM 1048 CA SER A 73 26.375 -1.729 11.146 1.00 32.35 C ATOM 1049 C SER A 73 26.887 -3.130 11.469 1.00 74.04 C ATOM 1050 O SER A 73 27.726 -3.309 12.351 1.00 21.11 O ATOM 1051 CB SER A 73 27.551 -0.757 11.039 1.00 53.51 C ATOM 1052 OG SER A 73 28.276 -0.697 12.255 1.00 52.50 O ATOM 0 H SER A 73 25.776 -1.350 13.119 1.00 32.43 H new ATOM 0 HA SER A 73 25.852 -1.763 10.190 1.00 32.35 H new ATOM 0 HB2 SER A 73 28.214 -1.070 10.232 1.00 53.51 H new ATOM 0 HB3 SER A 73 27.183 0.236 10.782 1.00 53.51 H new ATOM 0 HG SER A 73 28.292 -1.584 12.670 1.00 52.50 H new ATOM 1058 N VAL A 74 26.374 -4.121 10.746 1.00 23.21 N ATOM 1059 CA VAL A 74 26.779 -5.507 10.953 1.00 41.51 C ATOM 1060 C VAL A 74 26.631 -6.319 9.672 1.00 72.52 C ATOM 1061 O VAL A 74 25.800 -6.007 8.819 1.00 44.14 O ATOM 1062 CB VAL A 74 25.952 -6.172 12.069 1.00 62.21 C ATOM 1063 CG1 VAL A 74 26.496 -7.558 12.382 1.00 10.25 C ATOM 1064 CG2 VAL A 74 25.941 -5.300 13.315 1.00 30.34 C ATOM 0 H VAL A 74 25.678 -3.990 10.012 1.00 23.21 H new ATOM 0 HA VAL A 74 27.828 -5.490 11.250 1.00 41.51 H new ATOM 0 HB VAL A 74 24.925 -6.281 11.721 1.00 62.21 H new ATOM 0 HG11 VAL A 74 25.900 -8.013 13.173 1.00 10.25 H new ATOM 0 HG12 VAL A 74 26.447 -8.179 11.487 1.00 10.25 H new ATOM 0 HG13 VAL A 74 27.532 -7.477 12.710 1.00 10.25 H new ATOM 0 HG21 VAL A 74 25.352 -5.785 14.093 1.00 30.34 H new ATOM 0 HG22 VAL A 74 26.962 -5.157 13.668 1.00 30.34 H new ATOM 0 HG23 VAL A 74 25.501 -4.332 13.077 1.00 30.34 H new ATOM 1074 N SER A 75 27.442 -7.365 9.544 1.00 75.03 N ATOM 1075 CA SER A 75 27.403 -8.222 8.365 1.00 61.14 C ATOM 1076 C SER A 75 26.320 -9.288 8.503 1.00 42.12 C ATOM 1077 O SER A 75 26.485 -10.265 9.232 1.00 23.21 O ATOM 1078 CB SER A 75 28.764 -8.887 8.147 1.00 52.33 C ATOM 1079 OG SER A 75 29.082 -9.760 9.217 1.00 42.35 O ATOM 0 H SER A 75 28.133 -7.639 10.242 1.00 75.03 H new ATOM 0 HA SER A 75 27.168 -7.600 7.502 1.00 61.14 H new ATOM 0 HB2 SER A 75 28.754 -9.444 7.210 1.00 52.33 H new ATOM 0 HB3 SER A 75 29.535 -8.122 8.056 1.00 52.33 H new ATOM 0 HG SER A 75 28.257 -10.133 9.591 1.00 42.35 H new ATOM 1085 N ALA A 76 25.212 -9.091 7.796 1.00 32.25 N ATOM 1086 CA ALA A 76 24.102 -10.035 7.838 1.00 71.22 C ATOM 1087 C ALA A 76 24.352 -11.217 6.907 1.00 33.24 C ATOM 1088 O ALA A 76 25.094 -11.105 5.932 1.00 74.41 O ATOM 1089 CB ALA A 76 22.801 -9.337 7.470 1.00 41.01 C ATOM 0 H ALA A 76 25.059 -8.287 7.188 1.00 32.25 H new ATOM 0 HA ALA A 76 24.021 -10.418 8.855 1.00 71.22 H new ATOM 0 HB1 ALA A 76 21.981 -10.054 7.505 1.00 41.01 H new ATOM 0 HB2 ALA A 76 22.608 -8.530 8.177 1.00 41.01 H new ATOM 0 HB3 ALA A 76 22.881 -8.926 6.463 1.00 41.01 H new ATOM 1095 N ALA A 77 23.728 -12.349 7.216 1.00 20.41 N ATOM 1096 CA ALA A 77 23.882 -13.552 6.406 1.00 10.34 C ATOM 1097 C ALA A 77 22.637 -13.810 5.565 1.00 52.01 C ATOM 1098 O ALA A 77 21.505 -13.636 6.017 1.00 2.24 O ATOM 1099 CB ALA A 77 24.180 -14.751 7.294 1.00 73.10 C ATOM 0 H ALA A 77 23.111 -12.458 8.021 1.00 20.41 H new ATOM 0 HA ALA A 77 24.721 -13.399 5.727 1.00 10.34 H new ATOM 0 HB1 ALA A 77 24.293 -15.642 6.676 1.00 73.10 H new ATOM 0 HB2 ALA A 77 25.102 -14.574 7.847 1.00 73.10 H new ATOM 0 HB3 ALA A 77 23.359 -14.897 7.996 1.00 73.10 H new ATOM 1105 N PRO A 78 22.847 -14.235 4.310 1.00 3.22 N ATOM 1106 CA PRO A 78 21.753 -14.526 3.379 1.00 43.10 C ATOM 1107 C PRO A 78 20.972 -15.774 3.775 1.00 53.02 C ATOM 1108 O PRO A 78 21.551 -16.770 4.206 1.00 13.03 O ATOM 1109 CB PRO A 78 22.472 -14.745 2.045 1.00 34.42 C ATOM 1110 CG PRO A 78 23.846 -15.180 2.422 1.00 33.31 C ATOM 1111 CD PRO A 78 24.170 -14.464 3.704 1.00 34.31 C ATOM 0 HA PRO A 78 21.014 -13.725 3.354 1.00 43.10 H new ATOM 0 HB2 PRO A 78 21.968 -15.502 1.443 1.00 34.42 H new ATOM 0 HB3 PRO A 78 22.495 -13.830 1.453 1.00 34.42 H new ATOM 0 HG2 PRO A 78 23.890 -16.261 2.557 1.00 33.31 H new ATOM 0 HG3 PRO A 78 24.563 -14.927 1.641 1.00 33.31 H new ATOM 0 HD2 PRO A 78 24.809 -15.066 4.350 1.00 34.31 H new ATOM 0 HD3 PRO A 78 24.695 -13.527 3.519 1.00 34.31 H new ATOM 1119 N GLY A 79 19.652 -15.713 3.624 1.00 11.04 N ATOM 1120 CA GLY A 79 18.813 -16.845 3.971 1.00 73.25 C ATOM 1121 C GLY A 79 17.749 -16.488 4.990 1.00 25.53 C ATOM 1122 O GLY A 79 16.885 -17.305 5.310 1.00 62.41 O ATOM 0 H GLY A 79 19.149 -14.900 3.268 1.00 11.04 H new ATOM 0 HA2 GLY A 79 18.334 -17.228 3.070 1.00 73.25 H new ATOM 0 HA3 GLY A 79 19.436 -17.647 4.367 1.00 73.25 H new ATOM 1126 N THR A 80 17.812 -15.264 5.505 1.00 24.42 N ATOM 1127 CA THR A 80 16.850 -14.802 6.497 1.00 53.00 C ATOM 1128 C THR A 80 16.200 -13.493 6.064 1.00 51.22 C ATOM 1129 O THR A 80 16.886 -12.539 5.696 1.00 52.54 O ATOM 1130 CB THR A 80 17.513 -14.602 7.873 1.00 73.21 C ATOM 1131 OG1 THR A 80 18.200 -15.796 8.263 1.00 22.14 O ATOM 1132 CG2 THR A 80 16.476 -14.241 8.926 1.00 51.32 C ATOM 0 H THR A 80 18.520 -14.575 5.251 1.00 24.42 H new ATOM 0 HA THR A 80 16.086 -15.575 6.579 1.00 53.00 H new ATOM 0 HB THR A 80 18.227 -13.782 7.793 1.00 73.21 H new ATOM 0 HG1 THR A 80 18.620 -15.661 9.138 1.00 22.14 H new ATOM 0 HG21 THR A 80 16.968 -14.105 9.889 1.00 51.32 H new ATOM 0 HG22 THR A 80 15.974 -13.316 8.641 1.00 51.32 H new ATOM 0 HG23 THR A 80 15.742 -15.043 9.004 1.00 51.32 H new ATOM 1140 N THR A 81 14.872 -13.453 6.110 1.00 12.35 N ATOM 1141 CA THR A 81 14.129 -12.260 5.722 1.00 21.44 C ATOM 1142 C THR A 81 14.275 -11.158 6.765 1.00 44.10 C ATOM 1143 O THR A 81 14.203 -11.413 7.967 1.00 33.42 O ATOM 1144 CB THR A 81 12.633 -12.570 5.525 1.00 1.34 C ATOM 1145 OG1 THR A 81 12.478 -13.786 4.786 1.00 55.02 O ATOM 1146 CG2 THR A 81 11.937 -11.432 4.793 1.00 21.41 C ATOM 0 H THR A 81 14.289 -14.233 6.412 1.00 12.35 H new ATOM 0 HA THR A 81 14.550 -11.919 4.776 1.00 21.44 H new ATOM 0 HB THR A 81 12.175 -12.683 6.508 1.00 1.34 H new ATOM 0 HG1 THR A 81 11.524 -13.977 4.667 1.00 55.02 H new ATOM 0 HG21 THR A 81 10.882 -11.673 4.665 1.00 21.41 H new ATOM 0 HG22 THR A 81 12.032 -10.514 5.373 1.00 21.41 H new ATOM 0 HG23 THR A 81 12.398 -11.292 3.815 1.00 21.41 H new ATOM 1154 N TYR A 82 14.481 -9.932 6.297 1.00 2.34 N ATOM 1155 CA TYR A 82 14.639 -8.790 7.190 1.00 4.13 C ATOM 1156 C TYR A 82 13.454 -7.837 7.071 1.00 43.41 C ATOM 1157 O TYR A 82 13.016 -7.507 5.968 1.00 2.22 O ATOM 1158 CB TYR A 82 15.939 -8.047 6.877 1.00 63.01 C ATOM 1159 CG TYR A 82 17.184 -8.832 7.223 1.00 21.41 C ATOM 1160 CD1 TYR A 82 17.394 -9.306 8.512 1.00 1.04 C ATOM 1161 CD2 TYR A 82 18.151 -9.100 6.262 1.00 54.14 C ATOM 1162 CE1 TYR A 82 18.530 -10.023 8.834 1.00 62.43 C ATOM 1163 CE2 TYR A 82 19.289 -9.818 6.573 1.00 11.34 C ATOM 1164 CZ TYR A 82 19.474 -10.277 7.861 1.00 63.12 C ATOM 1165 OH TYR A 82 20.608 -10.991 8.176 1.00 74.22 O ATOM 0 H TYR A 82 14.542 -9.703 5.305 1.00 2.34 H new ATOM 0 HA TYR A 82 14.679 -9.164 8.213 1.00 4.13 H new ATOM 0 HB2 TYR A 82 15.959 -7.799 5.816 1.00 63.01 H new ATOM 0 HB3 TYR A 82 15.950 -7.105 7.425 1.00 63.01 H new ATOM 0 HD1 TYR A 82 16.656 -9.110 9.276 1.00 1.04 H new ATOM 0 HD2 TYR A 82 18.010 -8.740 5.253 1.00 54.14 H new ATOM 0 HE1 TYR A 82 18.678 -10.383 9.842 1.00 62.43 H new ATOM 0 HE2 TYR A 82 20.029 -10.019 5.813 1.00 11.34 H new ATOM 0 HH TYR A 82 20.732 -11.713 7.524 1.00 74.22 H new ATOM 1175 N HIS A 83 12.940 -7.397 8.215 1.00 54.52 N ATOM 1176 CA HIS A 83 11.806 -6.480 8.240 1.00 14.42 C ATOM 1177 C HIS A 83 12.254 -5.072 8.621 1.00 14.25 C ATOM 1178 O HIS A 83 13.344 -4.881 9.159 1.00 3.33 O ATOM 1179 CB HIS A 83 10.745 -6.974 9.224 1.00 10.13 C ATOM 1180 CG HIS A 83 9.829 -8.009 8.648 1.00 53.24 C ATOM 1181 ND1 HIS A 83 10.044 -9.364 8.783 1.00 30.11 N ATOM 1182 CD2 HIS A 83 8.687 -7.880 7.931 1.00 25.52 C ATOM 1183 CE1 HIS A 83 9.076 -10.025 8.174 1.00 53.54 C ATOM 1184 NE2 HIS A 83 8.239 -9.147 7.649 1.00 62.41 N ATOM 0 H HIS A 83 13.290 -7.660 9.136 1.00 54.52 H new ATOM 0 HA HIS A 83 11.375 -6.447 7.239 1.00 14.42 H new ATOM 0 HB2 HIS A 83 11.241 -7.388 10.102 1.00 10.13 H new ATOM 0 HB3 HIS A 83 10.152 -6.124 9.563 1.00 10.13 H new ATOM 0 HD2 HIS A 83 8.217 -6.954 7.636 1.00 25.52 H new ATOM 0 HE1 HIS A 83 8.984 -11.099 8.115 1.00 53.54 H new ATOM 0 HE2 HIS A 83 7.397 -9.374 7.120 1.00 62.41 H new ATOM 1192 N VAL A 84 11.405 -4.089 8.339 1.00 54.24 N ATOM 1193 CA VAL A 84 11.713 -2.699 8.652 1.00 11.30 C ATOM 1194 C VAL A 84 10.519 -2.003 9.295 1.00 12.45 C ATOM 1195 O VAL A 84 9.375 -2.212 8.893 1.00 51.41 O ATOM 1196 CB VAL A 84 12.130 -1.918 7.391 1.00 31.23 C ATOM 1197 CG1 VAL A 84 12.282 -0.438 7.706 1.00 44.24 C ATOM 1198 CG2 VAL A 84 13.419 -2.485 6.816 1.00 21.24 C ATOM 0 H VAL A 84 10.498 -4.230 7.894 1.00 54.24 H new ATOM 0 HA VAL A 84 12.546 -2.710 9.355 1.00 11.30 H new ATOM 0 HB VAL A 84 11.346 -2.026 6.641 1.00 31.23 H new ATOM 0 HG11 VAL A 84 12.577 0.098 6.804 1.00 44.24 H new ATOM 0 HG12 VAL A 84 11.333 -0.044 8.068 1.00 44.24 H new ATOM 0 HG13 VAL A 84 13.046 -0.306 8.472 1.00 44.24 H new ATOM 0 HG21 VAL A 84 13.699 -1.922 5.926 1.00 21.24 H new ATOM 0 HG22 VAL A 84 14.213 -2.409 7.559 1.00 21.24 H new ATOM 0 HG23 VAL A 84 13.270 -3.532 6.551 1.00 21.24 H new ATOM 1208 N MET A 85 10.793 -1.174 10.297 1.00 4.15 N ATOM 1209 CA MET A 85 9.741 -0.445 10.996 1.00 1.01 C ATOM 1210 C MET A 85 10.183 0.981 11.309 1.00 41.00 C ATOM 1211 O MET A 85 11.183 1.194 11.995 1.00 22.02 O ATOM 1212 CB MET A 85 9.362 -1.169 12.289 1.00 33.22 C ATOM 1213 CG MET A 85 7.913 -0.960 12.700 1.00 22.32 C ATOM 1214 SD MET A 85 7.660 0.588 13.589 1.00 73.11 S ATOM 1215 CE MET A 85 6.503 1.417 12.501 1.00 0.13 C ATOM 0 H MET A 85 11.735 -0.990 10.643 1.00 4.15 H new ATOM 0 HA MET A 85 8.869 -0.401 10.343 1.00 1.01 H new ATOM 0 HB2 MET A 85 9.546 -2.236 12.165 1.00 33.22 H new ATOM 0 HB3 MET A 85 10.013 -0.824 13.093 1.00 33.22 H new ATOM 0 HG2 MET A 85 7.282 -0.971 11.811 1.00 22.32 H new ATOM 0 HG3 MET A 85 7.594 -1.792 13.328 1.00 22.32 H new ATOM 0 HE1 MET A 85 6.344 2.438 12.848 1.00 0.13 H new ATOM 0 HE2 MET A 85 6.906 1.437 11.488 1.00 0.13 H new ATOM 0 HE3 MET A 85 5.554 0.881 12.503 1.00 0.13 H new ATOM 1225 N ILE A 86 9.433 1.953 10.802 1.00 54.12 N ATOM 1226 CA ILE A 86 9.748 3.358 11.029 1.00 54.15 C ATOM 1227 C ILE A 86 8.708 4.016 11.929 1.00 54.22 C ATOM 1228 O ILE A 86 7.548 4.174 11.545 1.00 4.31 O ATOM 1229 CB ILE A 86 9.830 4.138 9.703 1.00 74.42 C ATOM 1230 CG1 ILE A 86 10.636 3.348 8.670 1.00 24.54 C ATOM 1231 CG2 ILE A 86 10.450 5.508 9.932 1.00 74.03 C ATOM 1232 CD1 ILE A 86 12.095 3.187 9.038 1.00 71.42 C ATOM 0 H ILE A 86 8.603 1.794 10.231 1.00 54.12 H new ATOM 0 HA ILE A 86 10.721 3.388 11.520 1.00 54.15 H new ATOM 0 HB ILE A 86 8.820 4.278 9.318 1.00 74.42 H new ATOM 0 HG12 ILE A 86 10.189 2.361 8.549 1.00 24.54 H new ATOM 0 HG13 ILE A 86 10.566 3.850 7.705 1.00 24.54 H new ATOM 0 HG21 ILE A 86 10.501 6.047 8.986 1.00 74.03 H new ATOM 0 HG22 ILE A 86 9.839 6.071 10.638 1.00 74.03 H new ATOM 0 HG23 ILE A 86 11.455 5.389 10.337 1.00 74.03 H new ATOM 0 HD11 ILE A 86 12.605 2.617 8.261 1.00 71.42 H new ATOM 0 HD12 ILE A 86 12.558 4.170 9.130 1.00 71.42 H new ATOM 0 HD13 ILE A 86 12.174 2.658 9.988 1.00 71.42 H new ATOM 1244 N LYS A 87 9.130 4.400 13.129 1.00 50.44 N ATOM 1245 CA LYS A 87 8.237 5.045 14.084 1.00 3.13 C ATOM 1246 C LYS A 87 8.441 6.557 14.085 1.00 70.20 C ATOM 1247 O LYS A 87 9.572 7.040 14.084 1.00 2.43 O ATOM 1248 CB LYS A 87 8.473 4.487 15.490 1.00 52.51 C ATOM 1249 CG LYS A 87 7.191 4.170 16.241 1.00 3.30 C ATOM 1250 CD LYS A 87 6.491 5.435 16.708 1.00 52.44 C ATOM 1251 CE LYS A 87 5.069 5.515 16.173 1.00 31.52 C ATOM 1252 NZ LYS A 87 4.117 6.018 17.202 1.00 60.21 N ATOM 0 H LYS A 87 10.086 4.276 13.463 1.00 50.44 H new ATOM 0 HA LYS A 87 7.211 4.835 13.783 1.00 3.13 H new ATOM 0 HB2 LYS A 87 9.075 3.581 15.416 1.00 52.51 H new ATOM 0 HB3 LYS A 87 9.053 5.209 16.066 1.00 52.51 H new ATOM 0 HG2 LYS A 87 6.522 3.600 15.596 1.00 3.30 H new ATOM 0 HG3 LYS A 87 7.418 3.540 17.101 1.00 3.30 H new ATOM 0 HD2 LYS A 87 6.473 5.461 17.798 1.00 52.44 H new ATOM 0 HD3 LYS A 87 7.055 6.307 16.378 1.00 52.44 H new ATOM 0 HE2 LYS A 87 5.044 6.172 15.304 1.00 31.52 H new ATOM 0 HE3 LYS A 87 4.752 4.528 15.836 1.00 31.52 H new ATOM 0 HZ1 LYS A 87 3.457 5.259 17.465 1.00 60.21 H new ATOM 0 HZ2 LYS A 87 4.645 6.324 18.044 1.00 60.21 H new ATOM 0 HZ3 LYS A 87 3.583 6.823 16.817 1.00 60.21 H new ATOM 1266 N GLY A 88 7.337 7.298 14.088 1.00 43.43 N ATOM 1267 CA GLY A 88 7.417 8.747 14.090 1.00 42.40 C ATOM 1268 C GLY A 88 6.964 9.351 15.405 1.00 61.05 C ATOM 1269 O GLY A 88 6.215 8.727 16.156 1.00 13.34 O ATOM 0 H GLY A 88 6.389 6.921 14.089 1.00 43.43 H new ATOM 0 HA2 GLY A 88 8.444 9.051 13.889 1.00 42.40 H new ATOM 0 HA3 GLY A 88 6.803 9.143 13.281 1.00 42.40 H new ATOM 1273 N TYR A 89 7.420 10.567 15.684 1.00 64.14 N ATOM 1274 CA TYR A 89 7.061 11.253 16.919 1.00 54.33 C ATOM 1275 C TYR A 89 6.279 12.530 16.625 1.00 40.14 C ATOM 1276 O TYR A 89 5.466 12.975 17.435 1.00 25.44 O ATOM 1277 CB TYR A 89 8.316 11.585 17.727 1.00 43.44 C ATOM 1278 CG TYR A 89 8.118 11.487 19.222 1.00 34.13 C ATOM 1279 CD1 TYR A 89 7.692 12.585 19.960 1.00 73.21 C ATOM 1280 CD2 TYR A 89 8.357 10.297 19.898 1.00 73.20 C ATOM 1281 CE1 TYR A 89 7.509 12.500 21.327 1.00 64.13 C ATOM 1282 CE2 TYR A 89 8.176 10.202 21.264 1.00 13.32 C ATOM 1283 CZ TYR A 89 7.752 11.306 21.974 1.00 2.51 C ATOM 1284 OH TYR A 89 7.572 11.217 23.335 1.00 21.24 O ATOM 0 H TYR A 89 8.039 11.098 15.071 1.00 64.14 H new ATOM 0 HA TYR A 89 6.427 10.586 17.504 1.00 54.33 H new ATOM 0 HB2 TYR A 89 9.118 10.909 17.430 1.00 43.44 H new ATOM 0 HB3 TYR A 89 8.642 12.595 17.478 1.00 43.44 H new ATOM 0 HD1 TYR A 89 7.501 13.521 19.456 1.00 73.21 H new ATOM 0 HD2 TYR A 89 8.690 9.431 19.346 1.00 73.20 H new ATOM 0 HE1 TYR A 89 7.178 13.363 21.886 1.00 64.13 H new ATOM 0 HE2 TYR A 89 8.365 9.269 21.773 1.00 13.32 H new ATOM 0 HH TYR A 89 7.785 10.308 23.634 1.00 21.24 H new ATOM 1294 N SER A 90 6.531 13.115 15.458 1.00 70.22 N ATOM 1295 CA SER A 90 5.854 14.342 15.056 1.00 42.30 C ATOM 1296 C SER A 90 6.073 14.623 13.572 1.00 31.33 C ATOM 1297 O SER A 90 7.185 14.492 13.062 1.00 33.03 O ATOM 1298 CB SER A 90 6.357 15.523 15.889 1.00 34.12 C ATOM 1299 OG SER A 90 7.758 15.682 15.755 1.00 64.10 O ATOM 0 H SER A 90 7.199 12.759 14.775 1.00 70.22 H new ATOM 0 HA SER A 90 4.786 14.212 15.230 1.00 42.30 H new ATOM 0 HB2 SER A 90 5.852 16.436 15.573 1.00 34.12 H new ATOM 0 HB3 SER A 90 6.104 15.366 16.938 1.00 34.12 H new ATOM 0 HG SER A 90 8.064 15.219 14.947 1.00 64.10 H new ATOM 1305 N ASN A 91 5.003 15.009 12.886 1.00 54.05 N ATOM 1306 CA ASN A 91 5.076 15.308 11.460 1.00 62.41 C ATOM 1307 C ASN A 91 6.444 15.875 11.093 1.00 50.22 C ATOM 1308 O ASN A 91 6.750 17.029 11.393 1.00 12.35 O ATOM 1309 CB ASN A 91 3.978 16.299 11.068 1.00 64.21 C ATOM 1310 CG ASN A 91 2.611 15.647 10.994 1.00 50.34 C ATOM 1311 OD1 ASN A 91 2.216 14.902 11.891 1.00 45.32 O ATOM 1312 ND2 ASN A 91 1.881 15.926 9.920 1.00 14.02 N ATOM 0 H ASN A 91 4.075 15.122 13.294 1.00 54.05 H new ATOM 0 HA ASN A 91 4.929 14.378 10.911 1.00 62.41 H new ATOM 0 HB2 ASN A 91 3.951 17.113 11.793 1.00 64.21 H new ATOM 0 HB3 ASN A 91 4.220 16.741 10.101 1.00 64.21 H new ATOM 0 HD21 ASN A 91 0.953 15.517 9.814 1.00 14.02 H new ATOM 0 HD22 ASN A 91 2.249 16.549 9.201 1.00 14.02 H new ATOM 1319 N TYR A 92 7.262 15.057 10.441 1.00 23.41 N ATOM 1320 CA TYR A 92 8.598 15.476 10.034 1.00 22.22 C ATOM 1321 C TYR A 92 9.159 14.545 8.964 1.00 60.42 C ATOM 1322 O TYR A 92 9.431 13.373 9.225 1.00 21.20 O ATOM 1323 CB TYR A 92 9.536 15.506 11.242 1.00 21.12 C ATOM 1324 CG TYR A 92 10.598 16.579 11.158 1.00 70.12 C ATOM 1325 CD1 TYR A 92 11.600 16.518 10.197 1.00 51.01 C ATOM 1326 CD2 TYR A 92 10.600 17.653 12.039 1.00 22.11 C ATOM 1327 CE1 TYR A 92 12.573 17.496 10.116 1.00 33.33 C ATOM 1328 CE2 TYR A 92 11.568 18.636 11.965 1.00 70.21 C ATOM 1329 CZ TYR A 92 12.552 18.553 11.002 1.00 21.31 C ATOM 1330 OH TYR A 92 13.519 19.529 10.926 1.00 52.11 O ATOM 0 H TYR A 92 7.023 14.099 10.183 1.00 23.41 H new ATOM 0 HA TYR A 92 8.524 16.479 9.614 1.00 22.22 H new ATOM 0 HB2 TYR A 92 8.946 15.660 12.146 1.00 21.12 H new ATOM 0 HB3 TYR A 92 10.020 14.534 11.340 1.00 21.12 H new ATOM 0 HD1 TYR A 92 11.619 15.692 9.501 1.00 51.01 H new ATOM 0 HD2 TYR A 92 9.832 17.721 12.795 1.00 22.11 H new ATOM 0 HE1 TYR A 92 13.345 17.433 9.364 1.00 33.33 H new ATOM 0 HE2 TYR A 92 11.554 19.465 12.657 1.00 70.21 H new ATOM 0 HH TYR A 92 14.303 19.254 11.446 1.00 52.11 H new ATOM 1340 N SER A 93 9.330 15.076 7.757 1.00 31.53 N ATOM 1341 CA SER A 93 9.855 14.293 6.645 1.00 63.50 C ATOM 1342 C SER A 93 11.129 14.924 6.090 1.00 33.41 C ATOM 1343 O SER A 93 11.390 16.107 6.299 1.00 3.40 O ATOM 1344 CB SER A 93 8.807 14.174 5.537 1.00 31.31 C ATOM 1345 OG SER A 93 8.224 15.433 5.249 1.00 3.02 O ATOM 0 H SER A 93 9.112 16.045 7.525 1.00 31.53 H new ATOM 0 HA SER A 93 10.095 13.297 7.016 1.00 63.50 H new ATOM 0 HB2 SER A 93 9.269 13.769 4.637 1.00 31.31 H new ATOM 0 HB3 SER A 93 8.031 13.471 5.840 1.00 31.31 H new ATOM 0 HG SER A 93 7.559 15.330 4.537 1.00 3.02 H new ATOM 1351 N GLY A 94 11.918 14.123 5.381 1.00 25.41 N ATOM 1352 CA GLY A 94 13.155 14.619 4.807 1.00 63.02 C ATOM 1353 C GLY A 94 14.356 13.783 5.204 1.00 74.21 C ATOM 1354 O GLY A 94 15.496 14.239 5.117 1.00 53.13 O ATOM 0 H GLY A 94 11.723 13.140 5.194 1.00 25.41 H new ATOM 0 HA2 GLY A 94 13.068 14.631 3.721 1.00 63.02 H new ATOM 0 HA3 GLY A 94 13.312 15.649 5.126 1.00 63.02 H new ATOM 1358 N VAL A 95 14.100 12.555 5.643 1.00 30.54 N ATOM 1359 CA VAL A 95 15.168 11.652 6.056 1.00 4.53 C ATOM 1360 C VAL A 95 15.292 10.472 5.099 1.00 12.22 C ATOM 1361 O VAL A 95 14.291 9.942 4.616 1.00 54.30 O ATOM 1362 CB VAL A 95 14.934 11.120 7.483 1.00 51.45 C ATOM 1363 CG1 VAL A 95 16.259 10.818 8.165 1.00 45.24 C ATOM 1364 CG2 VAL A 95 14.121 12.117 8.296 1.00 65.14 C ATOM 0 H VAL A 95 13.162 12.162 5.722 1.00 30.54 H new ATOM 0 HA VAL A 95 16.093 12.228 6.039 1.00 4.53 H new ATOM 0 HB VAL A 95 14.367 10.191 7.417 1.00 51.45 H new ATOM 0 HG11 VAL A 95 16.073 10.443 9.172 1.00 45.24 H new ATOM 0 HG12 VAL A 95 16.800 10.065 7.592 1.00 45.24 H new ATOM 0 HG13 VAL A 95 16.855 11.729 8.221 1.00 45.24 H new ATOM 0 HG21 VAL A 95 13.965 11.725 9.301 1.00 65.14 H new ATOM 0 HG22 VAL A 95 14.659 13.063 8.355 1.00 65.14 H new ATOM 0 HG23 VAL A 95 13.156 12.277 7.815 1.00 65.14 H new ATOM 1374 N THR A 96 16.528 10.063 4.829 1.00 54.34 N ATOM 1375 CA THR A 96 16.783 8.946 3.929 1.00 60.23 C ATOM 1376 C THR A 96 17.049 7.663 4.707 1.00 22.43 C ATOM 1377 O THR A 96 17.960 7.604 5.535 1.00 34.00 O ATOM 1378 CB THR A 96 17.983 9.231 3.005 1.00 33.15 C ATOM 1379 OG1 THR A 96 17.776 10.459 2.299 1.00 41.11 O ATOM 1380 CG2 THR A 96 18.183 8.096 2.012 1.00 12.13 C ATOM 0 H THR A 96 17.368 10.489 5.221 1.00 54.34 H new ATOM 0 HA THR A 96 15.887 8.820 3.321 1.00 60.23 H new ATOM 0 HB THR A 96 18.878 9.314 3.622 1.00 33.15 H new ATOM 0 HG1 THR A 96 18.543 10.634 1.715 1.00 41.11 H new ATOM 0 HG21 THR A 96 19.035 8.320 1.371 1.00 12.13 H new ATOM 0 HG22 THR A 96 18.369 7.168 2.553 1.00 12.13 H new ATOM 0 HG23 THR A 96 17.288 7.986 1.400 1.00 12.13 H new ATOM 1388 N LEU A 97 16.251 6.636 4.437 1.00 33.12 N ATOM 1389 CA LEU A 97 16.401 5.352 5.113 1.00 72.45 C ATOM 1390 C LEU A 97 17.108 4.343 4.213 1.00 22.12 C ATOM 1391 O LEU A 97 16.891 4.315 3.002 1.00 74.23 O ATOM 1392 CB LEU A 97 15.033 4.809 5.529 1.00 55.10 C ATOM 1393 CG LEU A 97 14.982 3.326 5.898 1.00 44.01 C ATOM 1394 CD1 LEU A 97 15.745 3.071 7.189 1.00 55.11 C ATOM 1395 CD2 LEU A 97 13.540 2.857 6.026 1.00 65.20 C ATOM 0 H LEU A 97 15.493 6.667 3.755 1.00 33.12 H new ATOM 0 HA LEU A 97 17.010 5.507 6.004 1.00 72.45 H new ATOM 0 HB2 LEU A 97 14.679 5.387 6.383 1.00 55.10 H new ATOM 0 HB3 LEU A 97 14.332 4.984 4.713 1.00 55.10 H new ATOM 0 HG LEU A 97 15.458 2.756 5.100 1.00 44.01 H new ATOM 0 HD11 LEU A 97 15.698 2.010 7.436 1.00 55.11 H new ATOM 0 HD12 LEU A 97 16.786 3.368 7.061 1.00 55.11 H new ATOM 0 HD13 LEU A 97 15.299 3.652 7.996 1.00 55.11 H new ATOM 0 HD21 LEU A 97 13.523 1.799 6.289 1.00 65.20 H new ATOM 0 HD22 LEU A 97 13.038 3.432 6.804 1.00 65.20 H new ATOM 0 HD23 LEU A 97 13.024 3.003 5.077 1.00 65.20 H new ATOM 1407 N LYS A 98 17.955 3.514 4.814 1.00 32.14 N ATOM 1408 CA LYS A 98 18.692 2.500 4.070 1.00 44.21 C ATOM 1409 C LYS A 98 19.003 1.295 4.952 1.00 13.22 C ATOM 1410 O LYS A 98 19.109 1.418 6.173 1.00 4.02 O ATOM 1411 CB LYS A 98 19.992 3.089 3.517 1.00 63.00 C ATOM 1412 CG LYS A 98 20.750 2.140 2.604 1.00 12.32 C ATOM 1413 CD LYS A 98 20.344 2.322 1.151 1.00 20.42 C ATOM 1414 CE LYS A 98 19.004 1.664 0.861 1.00 72.35 C ATOM 1415 NZ LYS A 98 18.957 1.081 -0.509 1.00 42.32 N ATOM 0 H LYS A 98 18.148 3.525 5.816 1.00 32.14 H new ATOM 0 HA LYS A 98 18.067 2.169 3.240 1.00 44.21 H new ATOM 0 HB2 LYS A 98 19.763 4.002 2.968 1.00 63.00 H new ATOM 0 HB3 LYS A 98 20.636 3.371 4.350 1.00 63.00 H new ATOM 0 HG2 LYS A 98 21.821 2.312 2.708 1.00 12.32 H new ATOM 0 HG3 LYS A 98 20.561 1.111 2.910 1.00 12.32 H new ATOM 0 HD2 LYS A 98 20.286 3.385 0.919 1.00 20.42 H new ATOM 0 HD3 LYS A 98 21.109 1.895 0.502 1.00 20.42 H new ATOM 0 HE2 LYS A 98 18.818 0.881 1.596 1.00 72.35 H new ATOM 0 HE3 LYS A 98 18.207 2.400 0.970 1.00 72.35 H new ATOM 0 HZ1 LYS A 98 18.028 0.642 -0.668 1.00 42.32 H new ATOM 0 HZ2 LYS A 98 19.110 1.833 -1.212 1.00 42.32 H new ATOM 0 HZ3 LYS A 98 19.701 0.361 -0.605 1.00 42.32 H new ATOM 1429 N LEU A 99 19.148 0.132 4.327 1.00 32.04 N ATOM 1430 CA LEU A 99 19.448 -1.096 5.056 1.00 12.31 C ATOM 1431 C LEU A 99 20.954 -1.282 5.212 1.00 34.03 C ATOM 1432 O LEU A 99 21.722 -0.998 4.294 1.00 72.12 O ATOM 1433 CB LEU A 99 18.846 -2.302 4.333 1.00 54.53 C ATOM 1434 CG LEU A 99 19.749 -3.529 4.208 1.00 73.12 C ATOM 1435 CD1 LEU A 99 18.915 -4.793 4.065 1.00 12.11 C ATOM 1436 CD2 LEU A 99 20.696 -3.377 3.026 1.00 14.54 C ATOM 0 H LEU A 99 19.063 0.013 3.318 1.00 32.04 H new ATOM 0 HA LEU A 99 19.005 -1.017 6.049 1.00 12.31 H new ATOM 0 HB2 LEU A 99 17.936 -2.597 4.856 1.00 54.53 H new ATOM 0 HB3 LEU A 99 18.551 -1.990 3.331 1.00 54.53 H new ATOM 0 HG LEU A 99 20.345 -3.611 5.117 1.00 73.12 H new ATOM 0 HD11 LEU A 99 19.575 -5.656 3.977 1.00 12.11 H new ATOM 0 HD12 LEU A 99 18.279 -4.910 4.942 1.00 12.11 H new ATOM 0 HD13 LEU A 99 18.293 -4.720 3.173 1.00 12.11 H new ATOM 0 HD21 LEU A 99 21.331 -4.260 2.953 1.00 14.54 H new ATOM 0 HD22 LEU A 99 20.118 -3.269 2.108 1.00 14.54 H new ATOM 0 HD23 LEU A 99 21.318 -2.494 3.169 1.00 14.54 H new ATOM 1448 N GLN A 100 21.367 -1.763 6.380 1.00 1.45 N ATOM 1449 CA GLN A 100 22.781 -1.988 6.656 1.00 62.23 C ATOM 1450 C GLN A 100 23.174 -3.428 6.342 1.00 33.22 C ATOM 1451 O GLN A 100 22.719 -4.364 7.001 1.00 55.32 O ATOM 1452 CB GLN A 100 23.095 -1.668 8.118 1.00 21.42 C ATOM 1453 CG GLN A 100 22.308 -2.512 9.108 1.00 22.20 C ATOM 1454 CD GLN A 100 23.105 -3.689 9.635 1.00 64.23 C ATOM 1455 OE1 GLN A 100 24.177 -4.009 9.119 1.00 74.05 O ATOM 1456 NE2 GLN A 100 22.586 -4.341 10.668 1.00 30.32 N ATOM 0 H GLN A 100 20.743 -2.004 7.150 1.00 1.45 H new ATOM 0 HA GLN A 100 23.361 -1.324 6.015 1.00 62.23 H new ATOM 0 HB2 GLN A 100 24.161 -1.817 8.293 1.00 21.42 H new ATOM 0 HB3 GLN A 100 22.885 -0.615 8.304 1.00 21.42 H new ATOM 0 HG2 GLN A 100 21.995 -1.887 9.944 1.00 22.20 H new ATOM 0 HG3 GLN A 100 21.401 -2.878 8.627 1.00 22.20 H new ATOM 0 HE21 GLN A 100 21.695 -4.042 11.065 1.00 30.32 H new ATOM 0 HE22 GLN A 100 23.078 -5.141 11.065 1.00 30.32 H new ATOM 1465 N TYR A 101 24.020 -3.599 5.333 1.00 4.10 N ATOM 1466 CA TYR A 101 24.472 -4.925 4.930 1.00 21.53 C ATOM 1467 C TYR A 101 25.976 -4.934 4.672 1.00 54.23 C ATOM 1468 O TYR A 101 26.421 -5.180 3.552 1.00 22.33 O ATOM 1469 CB TYR A 101 23.725 -5.383 3.676 1.00 1.42 C ATOM 1470 CG TYR A 101 23.794 -6.874 3.440 1.00 24.52 C ATOM 1471 CD1 TYR A 101 23.610 -7.772 4.484 1.00 22.42 C ATOM 1472 CD2 TYR A 101 24.043 -7.386 2.172 1.00 23.05 C ATOM 1473 CE1 TYR A 101 23.674 -9.136 4.273 1.00 35.11 C ATOM 1474 CE2 TYR A 101 24.107 -8.748 1.952 1.00 71.33 C ATOM 1475 CZ TYR A 101 23.922 -9.619 3.005 1.00 31.22 C ATOM 1476 OH TYR A 101 23.984 -10.977 2.791 1.00 43.15 O ATOM 0 H TYR A 101 24.407 -2.835 4.779 1.00 4.10 H new ATOM 0 HA TYR A 101 24.258 -5.616 5.745 1.00 21.53 H new ATOM 0 HB2 TYR A 101 22.680 -5.085 3.757 1.00 1.42 H new ATOM 0 HB3 TYR A 101 24.138 -4.867 2.809 1.00 1.42 H new ATOM 0 HD1 TYR A 101 23.414 -7.397 5.478 1.00 22.42 H new ATOM 0 HD2 TYR A 101 24.189 -6.707 1.345 1.00 23.05 H new ATOM 0 HE1 TYR A 101 23.531 -9.820 5.096 1.00 35.11 H new ATOM 0 HE2 TYR A 101 24.301 -9.129 0.960 1.00 71.33 H new ATOM 0 HH TYR A 101 23.830 -11.449 3.636 1.00 43.15 H new TER 1486 TYR A 101