USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=39 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 16 ASN : amide:sc= -0.359 K(o=-0.36,f=-2.9!) USER MOD Set 1.2: A 91 ASN : amide:sc=-0.00104 X(o=-0.36,f=-0.41) USER MOD Set 2.1: A 49 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0152) USER MOD Set 2.2: A 58 SER OG : rot 180:sc= -0.0169 USER MOD Set 3.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 83 HIS : no HD1:sc= -0.705 X(o=-0.71,f=-0.46) USER MOD Set 4.1: A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.2: A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0804 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 5 LYS NZ :NH3+ 176:sc= -4.49! (180deg=-4.79!) USER MOD Single : A 6 ASN : amide:sc= -5.11! C(o=-5.1!,f=-10!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -2.71! C(o=-2.7!,f=-3.8!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0577 USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= -0.0587 (180deg=-0.327) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.362 K(o=0.36,f=-2.6!) 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 180:sc= -0.123 USER MOD Single : A 41 SER OG : rot 145:sc= 0.803 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 177:sc= -0.717 (180deg=-0.783) USER MOD Single : A 55 THR OG1 : rot 180:sc= 1.22 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 61 CYS SG : rot 180:sc= -0.369 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.761 K(o=-0.76,f=-0.23) USER MOD Single : A 69 ASN : amide:sc= -0.135 K(o=-0.13,f=-2.2!) USER MOD Single : A 71 SER OG : rot 70:sc= -1.11 USER MOD Single : A 72 CYS SG : rot -140:sc= -0.0916 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.136 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 120:sc= -2.74! USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -168:sc= -0.341 (180deg=-0.652) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -4:sc= 0.391! USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 76:sc= 0.162 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.757 K(o=-0.76,f=-9.2!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.306 -0.168 -0.961 1.00 63.22 N ATOM 2 CA GLY A 1 1.727 0.079 -0.795 1.00 14.32 C ATOM 3 C GLY A 1 2.563 -1.163 -1.028 1.00 32.45 C ATOM 4 O GLY A 1 2.027 -2.258 -1.196 1.00 54.43 O ATOM 0 H1 GLY A 1 -0.062 0.426 -1.731 1.00 63.22 H new ATOM 0 H2 GLY A 1 0.153 -1.170 -1.194 1.00 63.22 H new ATOM 0 H3 GLY A 1 -0.192 0.062 -0.078 1.00 63.22 H new ATOM 0 HA2 GLY A 1 2.040 0.859 -1.489 1.00 14.32 H new ATOM 0 HA3 GLY A 1 1.912 0.454 0.212 1.00 14.32 H new ATOM 8 N ASN A 2 3.881 -0.994 -1.038 1.00 60.32 N ATOM 9 CA ASN A 2 4.793 -2.111 -1.254 1.00 62.45 C ATOM 10 C ASN A 2 5.871 -2.151 -0.175 1.00 14.11 C ATOM 11 O ASN A 2 5.862 -1.345 0.755 1.00 4.34 O ATOM 12 CB ASN A 2 5.443 -2.006 -2.636 1.00 21.33 C ATOM 13 CG ASN A 2 4.426 -2.065 -3.759 1.00 40.51 C ATOM 14 OD1 ASN A 2 3.432 -2.786 -3.675 1.00 10.24 O ATOM 15 ND2 ASN A 2 4.671 -1.303 -4.819 1.00 63.10 N ATOM 0 H ASN A 2 4.341 -0.094 -0.899 1.00 60.32 H new ATOM 0 HA ASN A 2 4.216 -3.034 -1.200 1.00 62.45 H new ATOM 0 HB2 ASN A 2 6.000 -1.071 -2.703 1.00 21.33 H new ATOM 0 HB3 ASN A 2 6.163 -2.815 -2.758 1.00 21.33 H new ATOM 0 HD21 ASN A 2 4.022 -1.300 -5.606 1.00 63.10 H new ATOM 0 HD22 ASN A 2 5.508 -0.721 -4.846 1.00 63.10 H new ATOM 22 N VAL A 3 6.798 -3.094 -0.306 1.00 73.40 N ATOM 23 CA VAL A 3 7.883 -3.239 0.657 1.00 42.43 C ATOM 24 C VAL A 3 9.238 -3.014 -0.005 1.00 41.01 C ATOM 25 O VAL A 3 9.706 -3.845 -0.784 1.00 63.14 O ATOM 26 CB VAL A 3 7.870 -4.632 1.313 1.00 14.24 C ATOM 27 CG1 VAL A 3 6.846 -4.683 2.437 1.00 55.21 C ATOM 28 CG2 VAL A 3 7.588 -5.707 0.275 1.00 71.11 C ATOM 0 H VAL A 3 6.819 -3.769 -1.070 1.00 73.40 H new ATOM 0 HA VAL A 3 7.727 -2.483 1.426 1.00 42.43 H new ATOM 0 HB VAL A 3 8.854 -4.822 1.741 1.00 14.24 H new ATOM 0 HG11 VAL A 3 6.851 -5.675 2.889 1.00 55.21 H new ATOM 0 HG12 VAL A 3 7.098 -3.939 3.193 1.00 55.21 H new ATOM 0 HG13 VAL A 3 5.855 -4.472 2.036 1.00 55.21 H new ATOM 0 HG21 VAL A 3 7.583 -6.685 0.756 1.00 71.11 H new ATOM 0 HG22 VAL A 3 6.617 -5.523 -0.184 1.00 71.11 H new ATOM 0 HG23 VAL A 3 8.362 -5.684 -0.492 1.00 71.11 H new ATOM 38 N LEU A 4 9.864 -1.886 0.310 1.00 4.34 N ATOM 39 CA LEU A 4 11.168 -1.551 -0.253 1.00 54.22 C ATOM 40 C LEU A 4 12.133 -1.100 0.838 1.00 23.01 C ATOM 41 O LEU A 4 11.724 -0.515 1.842 1.00 64.44 O ATOM 42 CB LEU A 4 11.022 -0.452 -1.307 1.00 43.32 C ATOM 43 CG LEU A 4 9.989 0.635 -1.006 1.00 24.22 C ATOM 44 CD1 LEU A 4 10.420 1.963 -1.609 1.00 71.33 C ATOM 45 CD2 LEU A 4 8.619 0.228 -1.529 1.00 45.20 C ATOM 0 H LEU A 4 9.490 -1.187 0.952 1.00 4.34 H new ATOM 0 HA LEU A 4 11.574 -2.446 -0.723 1.00 54.22 H new ATOM 0 HB2 LEU A 4 11.993 0.025 -1.442 1.00 43.32 H new ATOM 0 HB3 LEU A 4 10.762 -0.920 -2.257 1.00 43.32 H new ATOM 0 HG LEU A 4 9.921 0.756 0.075 1.00 24.22 H new ATOM 0 HD11 LEU A 4 9.673 2.724 -1.385 1.00 71.33 H new ATOM 0 HD12 LEU A 4 11.379 2.260 -1.186 1.00 71.33 H new ATOM 0 HD13 LEU A 4 10.517 1.858 -2.690 1.00 71.33 H new ATOM 0 HD21 LEU A 4 7.896 1.013 -1.306 1.00 45.20 H new ATOM 0 HD22 LEU A 4 8.671 0.078 -2.607 1.00 45.20 H new ATOM 0 HD23 LEU A 4 8.307 -0.699 -1.049 1.00 45.20 H new ATOM 57 N LYS A 5 13.417 -1.374 0.635 1.00 44.13 N ATOM 58 CA LYS A 5 14.443 -0.994 1.599 1.00 63.14 C ATOM 59 C LYS A 5 15.832 -1.060 0.970 1.00 14.40 C ATOM 60 O LYS A 5 16.430 -0.032 0.657 1.00 4.41 O ATOM 61 CB LYS A 5 14.383 -1.908 2.825 1.00 45.12 C ATOM 62 CG LYS A 5 15.524 -1.688 3.803 1.00 20.15 C ATOM 63 CD LYS A 5 15.190 -0.604 4.814 1.00 2.14 C ATOM 64 CE LYS A 5 15.798 -0.905 6.176 1.00 73.21 C ATOM 65 NZ LYS A 5 15.894 0.316 7.023 1.00 62.03 N ATOM 0 H LYS A 5 13.772 -1.858 -0.189 1.00 44.13 H new ATOM 0 HA LYS A 5 14.252 0.033 1.909 1.00 63.14 H new ATOM 0 HB2 LYS A 5 13.437 -1.748 3.342 1.00 45.12 H new ATOM 0 HB3 LYS A 5 14.394 -2.947 2.495 1.00 45.12 H new ATOM 0 HG2 LYS A 5 15.741 -2.620 4.325 1.00 20.15 H new ATOM 0 HG3 LYS A 5 16.425 -1.411 3.256 1.00 20.15 H new ATOM 0 HD2 LYS A 5 15.559 0.357 4.454 1.00 2.14 H new ATOM 0 HD3 LYS A 5 14.108 -0.515 4.909 1.00 2.14 H new ATOM 0 HE2 LYS A 5 15.193 -1.654 6.686 1.00 73.21 H new ATOM 0 HE3 LYS A 5 16.791 -1.334 6.043 1.00 73.21 H new ATOM 0 HZ1 LYS A 5 16.250 0.058 7.965 1.00 62.03 H new ATOM 0 HZ2 LYS A 5 16.546 0.995 6.581 1.00 62.03 H new ATOM 0 HZ3 LYS A 5 14.953 0.750 7.115 1.00 62.03 H new ATOM 79 N ASN A 6 16.337 -2.275 0.787 1.00 74.31 N ATOM 80 CA ASN A 6 17.654 -2.474 0.194 1.00 22.33 C ATOM 81 C ASN A 6 17.671 -2.018 -1.261 1.00 54.14 C ATOM 82 O ASN A 6 16.631 -1.961 -1.916 1.00 52.22 O ATOM 83 CB ASN A 6 18.059 -3.947 0.283 1.00 23.04 C ATOM 84 CG ASN A 6 19.562 -4.129 0.371 1.00 43.00 C ATOM 85 OD1 ASN A 6 20.324 -3.172 0.233 1.00 52.51 O ATOM 86 ND2 ASN A 6 19.996 -5.363 0.601 1.00 3.33 N ATOM 0 H ASN A 6 15.854 -3.137 1.041 1.00 74.31 H new ATOM 0 HA ASN A 6 18.371 -1.872 0.753 1.00 22.33 H new ATOM 0 HB2 ASN A 6 17.589 -4.398 1.157 1.00 23.04 H new ATOM 0 HB3 ASN A 6 17.682 -4.478 -0.591 1.00 23.04 H new ATOM 0 HD21 ASN A 6 20.997 -5.547 0.670 1.00 3.33 H new ATOM 0 HD22 ASN A 6 19.328 -6.127 0.709 1.00 3.33 H new ATOM 93 N ASN A 7 18.859 -1.694 -1.761 1.00 60.51 N ATOM 94 CA ASN A 7 19.011 -1.243 -3.139 1.00 64.15 C ATOM 95 C ASN A 7 18.770 0.259 -3.250 1.00 11.32 C ATOM 96 O ASN A 7 19.695 1.032 -3.505 1.00 32.43 O ATOM 97 CB ASN A 7 18.043 -1.995 -4.054 1.00 73.24 C ATOM 98 CG ASN A 7 18.583 -2.155 -5.462 1.00 64.22 C ATOM 99 OD1 ASN A 7 19.474 -2.968 -5.708 1.00 63.42 O ATOM 100 ND2 ASN A 7 18.045 -1.377 -6.394 1.00 64.33 N ATOM 0 H ASN A 7 19.730 -1.735 -1.232 1.00 60.51 H new ATOM 0 HA ASN A 7 20.034 -1.453 -3.452 1.00 64.15 H new ATOM 0 HB2 ASN A 7 17.839 -2.979 -3.632 1.00 73.24 H new ATOM 0 HB3 ASN A 7 17.093 -1.461 -4.091 1.00 73.24 H new ATOM 0 HD21 ASN A 7 18.368 -1.439 -7.359 1.00 64.33 H new ATOM 0 HD22 ASN A 7 17.308 -0.717 -6.145 1.00 64.33 H new ATOM 107 N THR A 8 17.520 0.668 -3.055 1.00 51.24 N ATOM 108 CA THR A 8 17.156 2.077 -3.133 1.00 52.33 C ATOM 109 C THR A 8 16.587 2.572 -1.808 1.00 41.24 C ATOM 110 O THR A 8 15.585 2.063 -1.307 1.00 14.23 O ATOM 111 CB THR A 8 16.124 2.330 -4.248 1.00 73.04 C ATOM 112 OG1 THR A 8 16.501 1.622 -5.435 1.00 1.43 O ATOM 113 CG2 THR A 8 16.009 3.816 -4.553 1.00 41.00 C ATOM 0 H THR A 8 16.743 0.043 -2.842 1.00 51.24 H new ATOM 0 HA THR A 8 18.069 2.627 -3.362 1.00 52.33 H new ATOM 0 HB THR A 8 15.155 1.970 -3.903 1.00 73.04 H new ATOM 0 HG1 THR A 8 15.839 1.787 -6.138 1.00 1.43 H new ATOM 0 HG21 THR A 8 15.274 3.969 -5.343 1.00 41.00 H new ATOM 0 HG22 THR A 8 15.693 4.348 -3.656 1.00 41.00 H new ATOM 0 HG23 THR A 8 16.977 4.197 -4.879 1.00 41.00 H new ATOM 121 N PRO A 9 17.240 3.589 -1.226 1.00 53.34 N ATOM 122 CA PRO A 9 16.815 4.176 0.048 1.00 4.31 C ATOM 123 C PRO A 9 15.512 4.957 -0.079 1.00 34.23 C ATOM 124 O PRO A 9 15.179 5.460 -1.152 1.00 5.20 O ATOM 125 CB PRO A 9 17.969 5.117 0.407 1.00 72.50 C ATOM 126 CG PRO A 9 18.596 5.463 -0.899 1.00 71.43 C ATOM 127 CD PRO A 9 18.442 4.245 -1.768 1.00 71.01 C ATOM 0 HA PRO A 9 16.617 3.414 0.802 1.00 4.31 H new ATOM 0 HB2 PRO A 9 17.608 6.008 0.921 1.00 72.50 H new ATOM 0 HB3 PRO A 9 18.683 4.632 1.073 1.00 72.50 H new ATOM 0 HG2 PRO A 9 18.108 6.328 -1.349 1.00 71.43 H new ATOM 0 HG3 PRO A 9 19.647 5.721 -0.771 1.00 71.43 H new ATOM 0 HD2 PRO A 9 18.315 4.513 -2.817 1.00 71.01 H new ATOM 0 HD3 PRO A 9 19.316 3.596 -1.708 1.00 71.01 H new ATOM 135 N VAL A 10 14.776 5.054 1.024 1.00 12.21 N ATOM 136 CA VAL A 10 13.509 5.775 1.036 1.00 14.15 C ATOM 137 C VAL A 10 13.728 7.269 1.247 1.00 22.14 C ATOM 138 O VAL A 10 14.204 7.694 2.300 1.00 41.30 O ATOM 139 CB VAL A 10 12.572 5.245 2.138 1.00 73.51 C ATOM 140 CG1 VAL A 10 11.307 6.086 2.214 1.00 10.04 C ATOM 141 CG2 VAL A 10 12.235 3.782 1.891 1.00 74.21 C ATOM 0 H VAL A 10 15.036 4.642 1.920 1.00 12.21 H new ATOM 0 HA VAL A 10 13.044 5.613 0.064 1.00 14.15 H new ATOM 0 HB VAL A 10 13.087 5.320 3.096 1.00 73.51 H new ATOM 0 HG11 VAL A 10 10.658 5.696 2.998 1.00 10.04 H new ATOM 0 HG12 VAL A 10 11.570 7.119 2.441 1.00 10.04 H new ATOM 0 HG13 VAL A 10 10.785 6.046 1.258 1.00 10.04 H new ATOM 0 HG21 VAL A 10 11.572 3.423 2.679 1.00 74.21 H new ATOM 0 HG22 VAL A 10 11.739 3.681 0.926 1.00 74.21 H new ATOM 0 HG23 VAL A 10 13.152 3.192 1.892 1.00 74.21 H new ATOM 151 N SER A 11 13.378 8.061 0.239 1.00 13.24 N ATOM 152 CA SER A 11 13.539 9.509 0.313 1.00 65.52 C ATOM 153 C SER A 11 12.329 10.157 0.977 1.00 51.51 C ATOM 154 O SER A 11 11.262 9.553 1.073 1.00 31.23 O ATOM 155 CB SER A 11 13.741 10.092 -1.087 1.00 43.00 C ATOM 156 OG SER A 11 14.367 9.154 -1.945 1.00 62.11 O ATOM 0 H SER A 11 12.981 7.725 -0.639 1.00 13.24 H new ATOM 0 HA SER A 11 14.420 9.722 0.918 1.00 65.52 H new ATOM 0 HB2 SER A 11 12.778 10.385 -1.505 1.00 43.00 H new ATOM 0 HB3 SER A 11 14.349 10.994 -1.024 1.00 43.00 H new ATOM 0 HG SER A 11 14.483 9.550 -2.834 1.00 62.11 H new ATOM 162 N ASN A 12 12.504 11.393 1.433 1.00 0.44 N ATOM 163 CA ASN A 12 11.427 12.126 2.089 1.00 32.44 C ATOM 164 C ASN A 12 10.633 11.210 3.016 1.00 13.44 C ATOM 165 O ASN A 12 9.450 10.953 2.789 1.00 14.41 O ATOM 166 CB ASN A 12 10.495 12.746 1.047 1.00 42.55 C ATOM 167 CG ASN A 12 10.131 11.772 -0.057 1.00 22.33 C ATOM 168 OD1 ASN A 12 10.830 11.670 -1.065 1.00 75.35 O ATOM 169 ND2 ASN A 12 9.033 11.050 0.131 1.00 74.33 N ATOM 0 H ASN A 12 13.381 11.908 1.360 1.00 0.44 H new ATOM 0 HA ASN A 12 11.873 12.921 2.686 1.00 32.44 H new ATOM 0 HB2 ASN A 12 9.585 13.091 1.538 1.00 42.55 H new ATOM 0 HB3 ASN A 12 10.974 13.622 0.611 1.00 42.55 H new ATOM 0 HD21 ASN A 12 8.738 10.377 -0.576 1.00 74.33 H new ATOM 0 HD22 ASN A 12 8.484 11.168 0.983 1.00 74.33 H new ATOM 176 N LEU A 13 11.291 10.722 4.062 1.00 75.31 N ATOM 177 CA LEU A 13 10.646 9.835 5.025 1.00 44.11 C ATOM 178 C LEU A 13 9.488 10.540 5.724 1.00 62.21 C ATOM 179 O LEU A 13 9.132 11.666 5.377 1.00 54.31 O ATOM 180 CB LEU A 13 11.663 9.350 6.060 1.00 33.12 C ATOM 181 CG LEU A 13 11.949 7.848 6.067 1.00 71.11 C ATOM 182 CD1 LEU A 13 10.661 7.060 6.250 1.00 61.23 C ATOM 183 CD2 LEU A 13 12.652 7.433 4.783 1.00 44.22 C ATOM 0 H LEU A 13 12.270 10.925 4.265 1.00 75.31 H new ATOM 0 HA LEU A 13 10.250 8.976 4.483 1.00 44.11 H new ATOM 0 HB2 LEU A 13 12.602 9.878 5.892 1.00 33.12 H new ATOM 0 HB3 LEU A 13 11.309 9.637 7.050 1.00 33.12 H new ATOM 0 HG LEU A 13 12.608 7.627 6.906 1.00 71.11 H new ATOM 0 HD11 LEU A 13 10.884 5.993 6.252 1.00 61.23 H new ATOM 0 HD12 LEU A 13 10.197 7.336 7.197 1.00 61.23 H new ATOM 0 HD13 LEU A 13 9.977 7.286 5.432 1.00 61.23 H new ATOM 0 HD21 LEU A 13 12.848 6.361 4.805 1.00 44.22 H new ATOM 0 HD22 LEU A 13 12.018 7.668 3.928 1.00 44.22 H new ATOM 0 HD23 LEU A 13 13.595 7.972 4.694 1.00 44.22 H new ATOM 195 N THR A 14 8.905 9.870 6.713 1.00 73.21 N ATOM 196 CA THR A 14 7.788 10.432 7.462 1.00 72.41 C ATOM 197 C THR A 14 7.863 10.045 8.934 1.00 24.05 C ATOM 198 O THR A 14 8.194 8.909 9.272 1.00 43.10 O ATOM 199 CB THR A 14 6.436 9.965 6.889 1.00 1.11 C ATOM 200 OG1 THR A 14 6.491 8.568 6.579 1.00 43.31 O ATOM 201 CG2 THR A 14 6.077 10.754 5.639 1.00 62.33 C ATOM 0 H THR A 14 9.188 8.937 7.014 1.00 73.21 H new ATOM 0 HA THR A 14 7.859 11.516 7.370 1.00 72.41 H new ATOM 0 HB THR A 14 5.668 10.139 7.642 1.00 1.11 H new ATOM 0 HG1 THR A 14 5.627 8.279 6.217 1.00 43.31 H new ATOM 0 HG21 THR A 14 5.119 10.407 5.252 1.00 62.33 H new ATOM 0 HG22 THR A 14 6.007 11.813 5.885 1.00 62.33 H new ATOM 0 HG23 THR A 14 6.848 10.608 4.883 1.00 62.33 H new ATOM 209 N GLY A 15 7.554 10.998 9.809 1.00 75.24 N ATOM 210 CA GLY A 15 7.592 10.737 11.236 1.00 62.54 C ATOM 211 C GLY A 15 6.449 11.400 11.978 1.00 42.23 C ATOM 212 O GLY A 15 6.667 12.290 12.799 1.00 22.30 O ATOM 0 H GLY A 15 7.278 11.946 9.554 1.00 75.24 H new ATOM 0 HA2 GLY A 15 7.556 9.661 11.406 1.00 62.54 H new ATOM 0 HA3 GLY A 15 8.539 11.092 11.642 1.00 62.54 H new ATOM 216 N ASN A 16 5.226 10.968 11.687 1.00 65.22 N ATOM 217 CA ASN A 16 4.044 11.528 12.331 1.00 2.02 C ATOM 218 C ASN A 16 3.907 11.011 13.760 1.00 72.31 C ATOM 219 O ASN A 16 4.487 9.986 14.120 1.00 51.12 O ATOM 220 CB ASN A 16 2.788 11.182 11.529 1.00 42.33 C ATOM 221 CG ASN A 16 3.060 11.095 10.039 1.00 14.52 C ATOM 222 OD1 ASN A 16 2.991 10.019 9.446 1.00 32.22 O ATOM 223 ND2 ASN A 16 3.370 12.232 9.427 1.00 3.43 N ATOM 0 H ASN A 16 5.028 10.232 11.009 1.00 65.22 H new ATOM 0 HA ASN A 16 4.158 12.611 12.365 1.00 2.02 H new ATOM 0 HB2 ASN A 16 2.387 10.231 11.879 1.00 42.33 H new ATOM 0 HB3 ASN A 16 2.023 11.937 11.713 1.00 42.33 H new ATOM 0 HD21 ASN A 16 3.562 12.236 8.425 1.00 3.43 H new ATOM 0 HD22 ASN A 16 3.416 13.101 9.959 1.00 3.43 H new ATOM 230 N LYS A 17 3.135 11.726 14.571 1.00 54.14 N ATOM 231 CA LYS A 17 2.918 11.340 15.960 1.00 60.01 C ATOM 232 C LYS A 17 2.637 9.845 16.072 1.00 62.24 C ATOM 233 O LYS A 17 3.465 9.084 16.571 1.00 34.31 O ATOM 234 CB LYS A 17 1.754 12.134 16.556 1.00 54.31 C ATOM 235 CG LYS A 17 1.880 13.636 16.364 1.00 23.34 C ATOM 236 CD LYS A 17 3.221 14.150 16.862 1.00 14.21 C ATOM 237 CE LYS A 17 3.366 15.646 16.626 1.00 21.31 C ATOM 238 NZ LYS A 17 2.255 16.416 17.250 1.00 50.31 N ATOM 0 H LYS A 17 2.648 12.577 14.290 1.00 54.14 H new ATOM 0 HA LYS A 17 3.827 11.564 16.519 1.00 60.01 H new ATOM 0 HB2 LYS A 17 0.823 11.795 16.101 1.00 54.31 H new ATOM 0 HB3 LYS A 17 1.685 11.917 17.622 1.00 54.31 H new ATOM 0 HG2 LYS A 17 1.765 13.880 15.308 1.00 23.34 H new ATOM 0 HG3 LYS A 17 1.075 14.141 16.897 1.00 23.34 H new ATOM 0 HD2 LYS A 17 3.321 13.937 17.926 1.00 14.21 H new ATOM 0 HD3 LYS A 17 4.027 13.620 16.354 1.00 14.21 H new ATOM 0 HE2 LYS A 17 4.318 15.987 17.033 1.00 21.31 H new ATOM 0 HE3 LYS A 17 3.388 15.844 15.554 1.00 21.31 H new ATOM 0 HZ1 LYS A 17 2.490 17.429 17.246 1.00 50.31 H new ATOM 0 HZ2 LYS A 17 1.379 16.261 16.710 1.00 50.31 H new ATOM 0 HZ3 LYS A 17 2.119 16.096 18.230 1.00 50.31 H new ATOM 252 N GLY A 18 1.464 9.431 15.601 1.00 24.44 N ATOM 253 CA GLY A 18 1.097 8.028 15.657 1.00 73.20 C ATOM 254 C GLY A 18 1.405 7.296 14.366 1.00 65.01 C ATOM 255 O GLY A 18 1.957 6.196 14.385 1.00 71.41 O ATOM 0 H GLY A 18 0.762 10.042 15.182 1.00 24.44 H new ATOM 0 HA2 GLY A 18 1.630 7.549 16.479 1.00 73.20 H new ATOM 0 HA3 GLY A 18 0.032 7.943 15.874 1.00 73.20 H new ATOM 259 N SER A 19 1.048 7.907 13.241 1.00 72.00 N ATOM 260 CA SER A 19 1.285 7.304 11.935 1.00 61.22 C ATOM 261 C SER A 19 2.766 6.991 11.742 1.00 72.13 C ATOM 262 O SER A 19 3.630 7.654 12.314 1.00 63.04 O ATOM 263 CB SER A 19 0.800 8.236 10.823 1.00 1.42 C ATOM 264 OG SER A 19 -0.512 7.898 10.410 1.00 75.21 O ATOM 0 H SER A 19 0.593 8.820 13.208 1.00 72.00 H new ATOM 0 HA SER A 19 0.724 6.370 11.887 1.00 61.22 H new ATOM 0 HB2 SER A 19 0.819 9.268 11.175 1.00 1.42 H new ATOM 0 HB3 SER A 19 1.479 8.176 9.972 1.00 1.42 H new ATOM 0 HG SER A 19 -0.799 8.509 9.700 1.00 75.21 H new ATOM 270 N GLU A 20 3.049 5.976 10.931 1.00 20.35 N ATOM 271 CA GLU A 20 4.425 5.574 10.663 1.00 11.15 C ATOM 272 C GLU A 20 4.522 4.810 9.346 1.00 31.01 C ATOM 273 O GLU A 20 3.523 4.613 8.654 1.00 14.45 O ATOM 274 CB GLU A 20 4.959 4.710 11.807 1.00 24.15 C ATOM 275 CG GLU A 20 3.868 4.064 12.644 1.00 74.34 C ATOM 276 CD GLU A 20 2.968 3.156 11.828 1.00 63.44 C ATOM 277 OE1 GLU A 20 3.499 2.377 11.007 1.00 1.54 O ATOM 278 OE2 GLU A 20 1.735 3.223 12.009 1.00 73.14 O ATOM 0 H GLU A 20 2.345 5.418 10.449 1.00 20.35 H new ATOM 0 HA GLU A 20 5.031 6.476 10.585 1.00 11.15 H new ATOM 0 HB2 GLU A 20 5.598 3.930 11.394 1.00 24.15 H new ATOM 0 HB3 GLU A 20 5.585 5.325 12.454 1.00 24.15 H new ATOM 0 HG2 GLU A 20 4.325 3.488 13.449 1.00 74.34 H new ATOM 0 HG3 GLU A 20 3.265 4.842 13.112 1.00 74.34 H new ATOM 285 N VAL A 21 5.733 4.382 9.005 1.00 62.21 N ATOM 286 CA VAL A 21 5.962 3.639 7.771 1.00 20.14 C ATOM 287 C VAL A 21 6.726 2.348 8.041 1.00 24.32 C ATOM 288 O VAL A 21 7.593 2.297 8.915 1.00 54.33 O ATOM 289 CB VAL A 21 6.744 4.481 6.746 1.00 23.00 C ATOM 290 CG1 VAL A 21 5.868 4.813 5.548 1.00 11.51 C ATOM 291 CG2 VAL A 21 7.278 5.749 7.395 1.00 41.11 C ATOM 0 H VAL A 21 6.571 4.537 9.566 1.00 62.21 H new ATOM 0 HA VAL A 21 4.982 3.398 7.360 1.00 20.14 H new ATOM 0 HB VAL A 21 7.593 3.896 6.393 1.00 23.00 H new ATOM 0 HG11 VAL A 21 6.438 5.408 4.835 1.00 11.51 H new ATOM 0 HG12 VAL A 21 5.540 3.890 5.070 1.00 11.51 H new ATOM 0 HG13 VAL A 21 4.998 5.379 5.880 1.00 11.51 H new ATOM 0 HG21 VAL A 21 7.828 6.332 6.656 1.00 41.11 H new ATOM 0 HG22 VAL A 21 6.446 6.340 7.777 1.00 41.11 H new ATOM 0 HG23 VAL A 21 7.943 5.485 8.217 1.00 41.11 H new ATOM 301 N PHE A 22 6.400 1.305 7.285 1.00 24.31 N ATOM 302 CA PHE A 22 7.056 0.012 7.443 1.00 60.44 C ATOM 303 C PHE A 22 7.375 -0.605 6.084 1.00 23.40 C ATOM 304 O PHE A 22 6.622 -0.443 5.124 1.00 71.12 O ATOM 305 CB PHE A 22 6.170 -0.938 8.251 1.00 31.22 C ATOM 306 CG PHE A 22 4.887 -1.297 7.558 1.00 71.24 C ATOM 307 CD1 PHE A 22 3.840 -0.391 7.496 1.00 63.42 C ATOM 308 CD2 PHE A 22 4.727 -2.541 6.968 1.00 3.10 C ATOM 309 CE1 PHE A 22 2.658 -0.718 6.858 1.00 24.50 C ATOM 310 CE2 PHE A 22 3.548 -2.873 6.329 1.00 60.44 C ATOM 311 CZ PHE A 22 2.512 -1.962 6.275 1.00 51.44 C ATOM 0 H PHE A 22 5.686 1.330 6.557 1.00 24.31 H new ATOM 0 HA PHE A 22 7.991 0.170 7.980 1.00 60.44 H new ATOM 0 HB2 PHE A 22 6.727 -1.851 8.462 1.00 31.22 H new ATOM 0 HB3 PHE A 22 5.938 -0.477 9.211 1.00 31.22 H new ATOM 0 HD1 PHE A 22 3.949 0.582 7.952 1.00 63.42 H new ATOM 0 HD2 PHE A 22 5.533 -3.259 7.008 1.00 3.10 H new ATOM 0 HE1 PHE A 22 1.850 -0.002 6.815 1.00 24.50 H new ATOM 0 HE2 PHE A 22 3.437 -3.845 5.872 1.00 60.44 H new ATOM 0 HZ PHE A 22 1.589 -2.221 5.778 1.00 51.44 H new ATOM 321 N TYR A 23 8.497 -1.313 6.011 1.00 2.25 N ATOM 322 CA TYR A 23 8.919 -1.952 4.771 1.00 52.14 C ATOM 323 C TYR A 23 9.594 -3.291 5.050 1.00 73.43 C ATOM 324 O TYR A 23 9.955 -3.594 6.188 1.00 74.04 O ATOM 325 CB TYR A 23 9.873 -1.038 4.000 1.00 3.03 C ATOM 326 CG TYR A 23 9.470 0.419 4.027 1.00 71.02 C ATOM 327 CD1 TYR A 23 8.450 0.893 3.211 1.00 31.11 C ATOM 328 CD2 TYR A 23 10.108 1.322 4.868 1.00 24.45 C ATOM 329 CE1 TYR A 23 8.079 2.223 3.232 1.00 53.34 C ATOM 330 CE2 TYR A 23 9.743 2.654 4.897 1.00 71.53 C ATOM 331 CZ TYR A 23 8.728 3.100 4.076 1.00 31.41 C ATOM 332 OH TYR A 23 8.360 4.425 4.100 1.00 2.44 O ATOM 0 H TYR A 23 9.131 -1.459 6.797 1.00 2.25 H new ATOM 0 HA TYR A 23 8.031 -2.133 4.165 1.00 52.14 H new ATOM 0 HB2 TYR A 23 10.875 -1.137 4.418 1.00 3.03 H new ATOM 0 HB3 TYR A 23 9.925 -1.373 2.964 1.00 3.03 H new ATOM 0 HD1 TYR A 23 7.939 0.210 2.549 1.00 31.11 H new ATOM 0 HD2 TYR A 23 10.904 0.976 5.511 1.00 24.45 H new ATOM 0 HE1 TYR A 23 7.284 2.575 2.591 1.00 53.34 H new ATOM 0 HE2 TYR A 23 10.249 3.342 5.558 1.00 71.53 H new ATOM 0 HH TYR A 23 8.914 4.907 4.749 1.00 2.44 H new ATOM 342 N THR A 24 9.762 -4.092 4.001 1.00 1.35 N ATOM 343 CA THR A 24 10.393 -5.399 4.132 1.00 72.15 C ATOM 344 C THR A 24 11.282 -5.703 2.931 1.00 11.50 C ATOM 345 O THR A 24 10.917 -5.421 1.789 1.00 24.51 O ATOM 346 CB THR A 24 9.343 -6.517 4.274 1.00 23.44 C ATOM 347 OG1 THR A 24 8.256 -6.068 5.091 1.00 41.44 O ATOM 348 CG2 THR A 24 9.962 -7.765 4.887 1.00 13.12 C ATOM 0 H THR A 24 9.470 -3.858 3.052 1.00 1.35 H new ATOM 0 HA THR A 24 11.004 -5.366 5.034 1.00 72.15 H new ATOM 0 HB THR A 24 8.971 -6.765 3.280 1.00 23.44 H new ATOM 0 HG1 THR A 24 7.592 -6.784 5.175 1.00 41.44 H new ATOM 0 HG21 THR A 24 9.202 -8.541 4.978 1.00 13.12 H new ATOM 0 HG22 THR A 24 10.770 -8.121 4.248 1.00 13.12 H new ATOM 0 HG23 THR A 24 10.358 -7.527 5.874 1.00 13.12 H new ATOM 356 N PHE A 25 12.450 -6.278 3.196 1.00 32.51 N ATOM 357 CA PHE A 25 13.392 -6.620 2.136 1.00 34.15 C ATOM 358 C PHE A 25 14.395 -7.665 2.616 1.00 34.15 C ATOM 359 O PHE A 25 14.554 -7.884 3.818 1.00 62.52 O ATOM 360 CB PHE A 25 14.131 -5.368 1.659 1.00 21.53 C ATOM 361 CG PHE A 25 14.411 -5.363 0.184 1.00 74.55 C ATOM 362 CD1 PHE A 25 13.481 -4.855 -0.709 1.00 72.23 C ATOM 363 CD2 PHE A 25 15.603 -5.867 -0.311 1.00 1.51 C ATOM 364 CE1 PHE A 25 13.735 -4.850 -2.068 1.00 23.23 C ATOM 365 CE2 PHE A 25 15.863 -5.864 -1.668 1.00 44.24 C ATOM 366 CZ PHE A 25 14.928 -5.354 -2.548 1.00 5.12 C ATOM 0 H PHE A 25 12.767 -6.517 4.135 1.00 32.51 H new ATOM 0 HA PHE A 25 12.828 -7.040 1.303 1.00 34.15 H new ATOM 0 HB2 PHE A 25 13.539 -4.488 1.911 1.00 21.53 H new ATOM 0 HB3 PHE A 25 15.074 -5.284 2.200 1.00 21.53 H new ATOM 0 HD1 PHE A 25 12.547 -4.458 -0.339 1.00 72.23 H new ATOM 0 HD2 PHE A 25 16.338 -6.267 0.372 1.00 1.51 H new ATOM 0 HE1 PHE A 25 13.001 -4.452 -2.754 1.00 23.23 H new ATOM 0 HE2 PHE A 25 16.796 -6.260 -2.040 1.00 44.24 H new ATOM 0 HZ PHE A 25 15.130 -5.349 -3.609 1.00 5.12 H new ATOM 376 N THR A 26 15.069 -8.309 1.669 1.00 41.34 N ATOM 377 CA THR A 26 16.055 -9.332 1.993 1.00 41.32 C ATOM 378 C THR A 26 17.354 -9.105 1.229 1.00 44.14 C ATOM 379 O THR A 26 17.423 -8.258 0.338 1.00 73.03 O ATOM 380 CB THR A 26 15.526 -10.743 1.675 1.00 13.02 C ATOM 381 OG1 THR A 26 15.537 -10.964 0.260 1.00 2.44 O ATOM 382 CG2 THR A 26 14.113 -10.924 2.210 1.00 23.24 C ATOM 0 H THR A 26 14.950 -8.140 0.670 1.00 41.34 H new ATOM 0 HA THR A 26 16.248 -9.257 3.063 1.00 41.32 H new ATOM 0 HB THR A 26 16.178 -11.469 2.161 1.00 13.02 H new ATOM 0 HG1 THR A 26 15.201 -11.864 0.067 1.00 2.44 H new ATOM 0 HG21 THR A 26 13.760 -11.928 1.974 1.00 23.24 H new ATOM 0 HG22 THR A 26 14.113 -10.784 3.291 1.00 23.24 H new ATOM 0 HG23 THR A 26 13.453 -10.189 1.749 1.00 23.24 H new ATOM 390 N VAL A 27 18.384 -9.867 1.582 1.00 24.40 N ATOM 391 CA VAL A 27 19.682 -9.751 0.928 1.00 41.43 C ATOM 392 C VAL A 27 19.947 -10.943 0.016 1.00 60.22 C ATOM 393 O VAL A 27 19.211 -11.930 0.037 1.00 13.31 O ATOM 394 CB VAL A 27 20.822 -9.643 1.958 1.00 42.43 C ATOM 395 CG1 VAL A 27 20.691 -8.362 2.768 1.00 53.13 C ATOM 396 CG2 VAL A 27 20.834 -10.861 2.869 1.00 53.32 C ATOM 0 H VAL A 27 18.345 -10.572 2.318 1.00 24.40 H new ATOM 0 HA VAL A 27 19.655 -8.840 0.331 1.00 41.43 H new ATOM 0 HB VAL A 27 21.770 -9.610 1.422 1.00 42.43 H new ATOM 0 HG11 VAL A 27 21.505 -8.303 3.490 1.00 53.13 H new ATOM 0 HG12 VAL A 27 20.737 -7.502 2.099 1.00 53.13 H new ATOM 0 HG13 VAL A 27 19.737 -8.361 3.296 1.00 53.13 H new ATOM 0 HG21 VAL A 27 21.646 -10.768 3.590 1.00 53.32 H new ATOM 0 HG22 VAL A 27 19.884 -10.929 3.399 1.00 53.32 H new ATOM 0 HG23 VAL A 27 20.981 -11.761 2.272 1.00 53.32 H new ATOM 406 N ASP A 28 21.003 -10.846 -0.784 1.00 41.01 N ATOM 407 CA ASP A 28 21.367 -11.918 -1.704 1.00 2.25 C ATOM 408 C ASP A 28 22.678 -12.575 -1.281 1.00 13.51 C ATOM 409 O ASP A 28 22.830 -13.793 -1.370 1.00 14.02 O ATOM 410 CB ASP A 28 21.490 -11.376 -3.129 1.00 20.43 C ATOM 411 CG ASP A 28 20.166 -10.878 -3.675 1.00 24.22 C ATOM 412 OD1 ASP A 28 19.145 -11.015 -2.970 1.00 30.11 O ATOM 413 OD2 ASP A 28 20.152 -10.352 -4.808 1.00 32.24 O ATOM 0 H ASP A 28 21.622 -10.036 -0.814 1.00 41.01 H new ATOM 0 HA ASP A 28 20.579 -12.671 -1.677 1.00 2.25 H new ATOM 0 HB2 ASP A 28 22.215 -10.562 -3.144 1.00 20.43 H new ATOM 0 HB3 ASP A 28 21.877 -12.160 -3.781 1.00 20.43 H new ATOM 418 N ARG A 29 23.621 -11.759 -0.822 1.00 44.13 N ATOM 419 CA ARG A 29 24.920 -12.260 -0.388 1.00 73.43 C ATOM 420 C ARG A 29 25.346 -11.604 0.922 1.00 40.25 C ATOM 421 O ARG A 29 24.873 -10.522 1.268 1.00 62.15 O ATOM 422 CB ARG A 29 25.975 -12.005 -1.466 1.00 60.41 C ATOM 423 CG ARG A 29 27.294 -12.714 -1.207 1.00 22.43 C ATOM 424 CD ARG A 29 27.104 -14.219 -1.088 1.00 2.54 C ATOM 425 NE ARG A 29 28.378 -14.932 -1.078 1.00 25.02 N ATOM 426 CZ ARG A 29 28.516 -16.185 -0.658 1.00 40.21 C ATOM 427 NH1 ARG A 29 27.463 -16.859 -0.217 1.00 1.14 N ATOM 428 NH2 ARG A 29 29.709 -16.766 -0.680 1.00 13.11 N ATOM 0 H ARG A 29 23.510 -10.748 -0.741 1.00 44.13 H new ATOM 0 HA ARG A 29 24.831 -13.334 -0.224 1.00 73.43 H new ATOM 0 HB2 ARG A 29 25.582 -12.327 -2.430 1.00 60.41 H new ATOM 0 HB3 ARG A 29 26.157 -10.933 -1.538 1.00 60.41 H new ATOM 0 HG2 ARG A 29 27.990 -12.497 -2.017 1.00 22.43 H new ATOM 0 HG3 ARG A 29 27.741 -12.329 -0.291 1.00 22.43 H new ATOM 0 HD2 ARG A 29 26.555 -14.444 -0.173 1.00 2.54 H new ATOM 0 HD3 ARG A 29 26.496 -14.575 -1.920 1.00 2.54 H new ATOM 0 HE ARG A 29 29.208 -14.441 -1.412 1.00 25.02 H new ATOM 0 HH11 ARG A 29 26.544 -16.416 -0.200 1.00 1.14 H new ATOM 0 HH12 ARG A 29 27.571 -17.821 0.105 1.00 1.14 H new ATOM 0 HH21 ARG A 29 30.521 -16.251 -1.020 1.00 13.11 H new ATOM 0 HH22 ARG A 29 29.814 -17.728 -0.357 1.00 13.11 H new ATOM 442 N ASN A 30 26.242 -12.267 1.646 1.00 41.44 N ATOM 443 CA ASN A 30 26.731 -11.748 2.918 1.00 63.02 C ATOM 444 C ASN A 30 27.804 -10.686 2.696 1.00 51.10 C ATOM 445 O ASN A 30 28.872 -10.971 2.156 1.00 23.43 O ATOM 446 CB ASN A 30 27.293 -12.885 3.774 1.00 61.13 C ATOM 447 CG ASN A 30 28.227 -13.789 2.993 1.00 65.10 C ATOM 448 OD1 ASN A 30 27.789 -14.585 2.162 1.00 11.23 O ATOM 449 ND2 ASN A 30 29.523 -13.670 3.257 1.00 24.25 N ATOM 0 H ASN A 30 26.644 -13.164 1.374 1.00 41.44 H new ATOM 0 HA ASN A 30 25.892 -11.288 3.441 1.00 63.02 H new ATOM 0 HB2 ASN A 30 27.827 -12.465 4.626 1.00 61.13 H new ATOM 0 HB3 ASN A 30 26.469 -13.476 4.174 1.00 61.13 H new ATOM 0 HD21 ASN A 30 30.200 -14.252 2.763 1.00 24.25 H new ATOM 0 HD22 ASN A 30 29.842 -12.997 3.954 1.00 24.25 H new ATOM 456 N ALA A 31 27.511 -9.460 3.117 1.00 13.10 N ATOM 457 CA ALA A 31 28.450 -8.356 2.967 1.00 3.31 C ATOM 458 C ALA A 31 28.414 -7.435 4.182 1.00 23.34 C ATOM 459 O ALA A 31 27.354 -7.193 4.760 1.00 21.23 O ATOM 460 CB ALA A 31 28.145 -7.571 1.699 1.00 21.54 C ATOM 0 H ALA A 31 26.630 -9.207 3.565 1.00 13.10 H new ATOM 0 HA ALA A 31 29.454 -8.774 2.890 1.00 3.31 H new ATOM 0 HB1 ALA A 31 28.854 -6.749 1.600 1.00 21.54 H new ATOM 0 HB2 ALA A 31 28.229 -8.229 0.834 1.00 21.54 H new ATOM 0 HB3 ALA A 31 27.132 -7.171 1.753 1.00 21.54 H new ATOM 466 N THR A 32 29.580 -6.924 4.567 1.00 72.22 N ATOM 467 CA THR A 32 29.682 -6.032 5.715 1.00 52.03 C ATOM 468 C THR A 32 29.737 -4.574 5.274 1.00 13.43 C ATOM 469 O THR A 32 30.744 -4.116 4.735 1.00 13.20 O ATOM 470 CB THR A 32 30.928 -6.348 6.563 1.00 44.34 C ATOM 471 OG1 THR A 32 31.114 -5.334 7.557 1.00 42.12 O ATOM 472 CG2 THR A 32 32.169 -6.440 5.687 1.00 21.13 C ATOM 0 H THR A 32 30.467 -7.113 4.100 1.00 72.22 H new ATOM 0 HA THR A 32 28.790 -6.192 6.321 1.00 52.03 H new ATOM 0 HB THR A 32 30.774 -7.311 7.051 1.00 44.34 H new ATOM 0 HG1 THR A 32 31.907 -5.543 8.093 1.00 42.12 H new ATOM 0 HG21 THR A 32 33.037 -6.664 6.308 1.00 21.13 H new ATOM 0 HG22 THR A 32 32.036 -7.232 4.950 1.00 21.13 H new ATOM 0 HG23 THR A 32 32.324 -5.490 5.175 1.00 21.13 H new ATOM 480 N ALA A 33 28.648 -3.848 5.508 1.00 30.32 N ATOM 481 CA ALA A 33 28.574 -2.440 5.138 1.00 71.52 C ATOM 482 C ALA A 33 27.928 -1.615 6.245 1.00 11.22 C ATOM 483 O ALA A 33 27.050 -2.096 6.961 1.00 74.51 O ATOM 484 CB ALA A 33 27.803 -2.277 3.837 1.00 54.04 C ATOM 0 H ALA A 33 27.805 -4.212 5.952 1.00 30.32 H new ATOM 0 HA ALA A 33 29.590 -2.073 4.994 1.00 71.52 H new ATOM 0 HB1 ALA A 33 27.755 -1.221 3.572 1.00 54.04 H new ATOM 0 HB2 ALA A 33 28.308 -2.828 3.043 1.00 54.04 H new ATOM 0 HB3 ALA A 33 26.792 -2.666 3.962 1.00 54.04 H new ATOM 490 N VAL A 34 28.369 -0.368 6.382 1.00 71.23 N ATOM 491 CA VAL A 34 27.833 0.525 7.402 1.00 23.11 C ATOM 492 C VAL A 34 26.957 1.607 6.781 1.00 64.25 C ATOM 493 O VAL A 34 27.448 2.491 6.078 1.00 61.52 O ATOM 494 CB VAL A 34 28.961 1.194 8.210 1.00 12.03 C ATOM 495 CG1 VAL A 34 29.980 1.831 7.278 1.00 3.24 C ATOM 496 CG2 VAL A 34 28.388 2.224 9.171 1.00 14.44 C ATOM 0 H VAL A 34 29.096 0.046 5.799 1.00 71.23 H new ATOM 0 HA VAL A 34 27.229 -0.086 8.072 1.00 23.11 H new ATOM 0 HB VAL A 34 29.469 0.428 8.795 1.00 12.03 H new ATOM 0 HG11 VAL A 34 30.769 2.299 7.867 1.00 3.24 H new ATOM 0 HG12 VAL A 34 30.413 1.065 6.634 1.00 3.24 H new ATOM 0 HG13 VAL A 34 29.489 2.586 6.664 1.00 3.24 H new ATOM 0 HG21 VAL A 34 29.199 2.687 9.734 1.00 14.44 H new ATOM 0 HG22 VAL A 34 27.854 2.989 8.608 1.00 14.44 H new ATOM 0 HG23 VAL A 34 27.700 1.735 9.861 1.00 14.44 H new ATOM 506 N VAL A 35 25.657 1.532 7.045 1.00 73.35 N ATOM 507 CA VAL A 35 24.711 2.506 6.513 1.00 62.24 C ATOM 508 C VAL A 35 23.849 3.097 7.622 1.00 51.20 C ATOM 509 O VAL A 35 23.426 2.391 8.537 1.00 71.20 O ATOM 510 CB VAL A 35 23.795 1.875 5.447 1.00 65.12 C ATOM 511 CG1 VAL A 35 22.722 2.861 5.013 1.00 12.34 C ATOM 512 CG2 VAL A 35 24.613 1.405 4.253 1.00 50.51 C ATOM 0 H VAL A 35 25.234 0.807 7.624 1.00 73.35 H new ATOM 0 HA VAL A 35 25.299 3.299 6.052 1.00 62.24 H new ATOM 0 HB VAL A 35 23.301 1.007 5.885 1.00 65.12 H new ATOM 0 HG11 VAL A 35 22.085 2.397 4.260 1.00 12.34 H new ATOM 0 HG12 VAL A 35 22.118 3.144 5.875 1.00 12.34 H new ATOM 0 HG13 VAL A 35 23.193 3.750 4.593 1.00 12.34 H new ATOM 0 HG21 VAL A 35 23.950 0.962 3.510 1.00 50.51 H new ATOM 0 HG22 VAL A 35 25.136 2.254 3.813 1.00 50.51 H new ATOM 0 HG23 VAL A 35 25.340 0.662 4.580 1.00 50.51 H new ATOM 522 N SER A 36 23.592 4.398 7.534 1.00 55.30 N ATOM 523 CA SER A 36 22.782 5.087 8.533 1.00 72.45 C ATOM 524 C SER A 36 21.723 5.959 7.866 1.00 74.14 C ATOM 525 O SER A 36 21.774 6.204 6.660 1.00 71.21 O ATOM 526 CB SER A 36 23.669 5.944 9.437 1.00 44.02 C ATOM 527 OG SER A 36 23.778 7.267 8.939 1.00 33.53 O ATOM 0 H SER A 36 23.933 4.996 6.782 1.00 55.30 H new ATOM 0 HA SER A 36 22.279 4.334 9.139 1.00 72.45 H new ATOM 0 HB2 SER A 36 23.254 5.964 10.445 1.00 44.02 H new ATOM 0 HB3 SER A 36 24.660 5.496 9.509 1.00 44.02 H new ATOM 0 HG SER A 36 24.349 7.795 9.535 1.00 33.53 H new ATOM 533 N ILE A 37 20.764 6.424 8.659 1.00 54.43 N ATOM 534 CA ILE A 37 19.693 7.270 8.146 1.00 14.04 C ATOM 535 C ILE A 37 19.828 8.700 8.660 1.00 74.53 C ATOM 536 O ILE A 37 20.211 8.924 9.808 1.00 43.24 O ATOM 537 CB ILE A 37 18.307 6.724 8.540 1.00 62.05 C ATOM 538 CG1 ILE A 37 17.897 7.254 9.915 1.00 43.51 C ATOM 539 CG2 ILE A 37 18.316 5.203 8.534 1.00 63.33 C ATOM 540 CD1 ILE A 37 18.726 6.695 11.050 1.00 73.51 C ATOM 0 H ILE A 37 20.706 6.230 9.659 1.00 54.43 H new ATOM 0 HA ILE A 37 19.781 7.267 7.060 1.00 14.04 H new ATOM 0 HB ILE A 37 17.576 7.067 7.807 1.00 62.05 H new ATOM 0 HG12 ILE A 37 17.980 8.341 9.916 1.00 43.51 H new ATOM 0 HG13 ILE A 37 16.848 7.014 10.090 1.00 43.51 H new ATOM 0 HG21 ILE A 37 17.330 4.832 8.814 1.00 63.33 H new ATOM 0 HG22 ILE A 37 18.568 4.845 7.536 1.00 63.33 H new ATOM 0 HG23 ILE A 37 19.056 4.841 9.247 1.00 63.33 H new ATOM 0 HD11 ILE A 37 18.380 7.114 11.995 1.00 73.51 H new ATOM 0 HD12 ILE A 37 18.624 5.610 11.075 1.00 73.51 H new ATOM 0 HD13 ILE A 37 19.773 6.957 10.899 1.00 73.51 H new ATOM 552 N SER A 38 19.508 9.663 7.802 1.00 53.20 N ATOM 553 CA SER A 38 19.595 11.072 8.168 1.00 50.13 C ATOM 554 C SER A 38 19.156 11.962 7.009 1.00 11.42 C ATOM 555 O SER A 38 18.620 11.482 6.011 1.00 14.44 O ATOM 556 CB SER A 38 21.024 11.425 8.584 1.00 42.22 C ATOM 557 OG SER A 38 21.764 11.933 7.487 1.00 11.41 O ATOM 0 H SER A 38 19.186 9.494 6.849 1.00 53.20 H new ATOM 0 HA SER A 38 18.926 11.245 9.011 1.00 50.13 H new ATOM 0 HB2 SER A 38 21.001 12.164 9.385 1.00 42.22 H new ATOM 0 HB3 SER A 38 21.519 10.539 8.982 1.00 42.22 H new ATOM 0 HG SER A 38 22.673 12.153 7.779 1.00 11.41 H new ATOM 563 N GLY A 39 19.388 13.264 7.150 1.00 10.01 N ATOM 564 CA GLY A 39 19.011 14.202 6.109 1.00 74.11 C ATOM 565 C GLY A 39 18.507 15.518 6.668 1.00 31.54 C ATOM 566 O GLY A 39 18.951 15.961 7.726 1.00 5.13 O ATOM 0 H GLY A 39 19.830 13.686 7.967 1.00 10.01 H new ATOM 0 HA2 GLY A 39 19.870 14.390 5.465 1.00 74.11 H new ATOM 0 HA3 GLY A 39 18.237 13.756 5.485 1.00 74.11 H new ATOM 570 N GLY A 40 17.576 16.145 5.955 1.00 24.13 N ATOM 571 CA GLY A 40 17.029 17.412 6.402 1.00 53.42 C ATOM 572 C GLY A 40 16.126 17.260 7.610 1.00 53.42 C ATOM 573 O GLY A 40 16.257 17.996 8.588 1.00 50.11 O ATOM 0 H GLY A 40 17.191 15.798 5.076 1.00 24.13 H new ATOM 0 HA2 GLY A 40 17.846 18.091 6.646 1.00 53.42 H new ATOM 0 HA3 GLY A 40 16.467 17.869 5.588 1.00 53.42 H new ATOM 577 N SER A 41 15.205 16.304 7.542 1.00 51.32 N ATOM 578 CA SER A 41 14.272 16.062 8.636 1.00 24.23 C ATOM 579 C SER A 41 14.627 14.776 9.378 1.00 42.44 C ATOM 580 O SER A 41 15.387 13.948 8.878 1.00 72.32 O ATOM 581 CB SER A 41 12.840 15.979 8.105 1.00 20.12 C ATOM 582 OG SER A 41 12.291 17.271 7.915 1.00 10.40 O ATOM 0 H SER A 41 15.085 15.684 6.741 1.00 51.32 H new ATOM 0 HA SER A 41 14.345 16.896 9.334 1.00 24.23 H new ATOM 0 HB2 SER A 41 12.830 15.434 7.161 1.00 20.12 H new ATOM 0 HB3 SER A 41 12.221 15.417 8.805 1.00 20.12 H new ATOM 0 HG SER A 41 11.708 17.266 7.127 1.00 10.40 H new ATOM 588 N GLY A 42 14.071 14.618 10.575 1.00 53.02 N ATOM 589 CA GLY A 42 14.340 13.432 11.367 1.00 54.12 C ATOM 590 C GLY A 42 13.096 12.896 12.048 1.00 23.41 C ATOM 591 O GLY A 42 12.059 12.716 11.410 1.00 51.42 O ATOM 0 H GLY A 42 13.439 15.290 11.010 1.00 53.02 H new ATOM 0 HA2 GLY A 42 14.761 12.658 10.725 1.00 54.12 H new ATOM 0 HA3 GLY A 42 15.092 13.665 12.121 1.00 54.12 H new ATOM 595 N ASP A 43 13.200 12.637 13.347 1.00 43.11 N ATOM 596 CA ASP A 43 12.075 12.117 14.115 1.00 24.14 C ATOM 597 C ASP A 43 11.609 10.776 13.556 1.00 11.35 C ATOM 598 O ASP A 43 10.431 10.433 13.644 1.00 74.44 O ATOM 599 CB ASP A 43 10.918 13.117 14.107 1.00 5.32 C ATOM 600 CG ASP A 43 11.079 14.196 15.160 1.00 54.40 C ATOM 601 OD1 ASP A 43 11.255 13.846 16.346 1.00 53.55 O ATOM 602 OD2 ASP A 43 11.027 15.391 14.798 1.00 20.15 O ATOM 0 H ASP A 43 14.052 12.779 13.890 1.00 43.11 H new ATOM 0 HA ASP A 43 12.407 11.966 15.142 1.00 24.14 H new ATOM 0 HB2 ASP A 43 10.849 13.581 13.123 1.00 5.32 H new ATOM 0 HB3 ASP A 43 9.981 12.586 14.275 1.00 5.32 H new ATOM 607 N ALA A 44 12.542 10.024 12.982 1.00 75.04 N ATOM 608 CA ALA A 44 12.226 8.721 12.409 1.00 2.13 C ATOM 609 C ALA A 44 13.017 7.613 13.097 1.00 1.40 C ATOM 610 O ALA A 44 14.229 7.496 12.912 1.00 13.35 O ATOM 611 CB ALA A 44 12.505 8.720 10.913 1.00 14.34 C ATOM 0 H ALA A 44 13.522 10.294 12.901 1.00 75.04 H new ATOM 0 HA ALA A 44 11.165 8.529 12.570 1.00 2.13 H new ATOM 0 HB1 ALA A 44 12.265 7.741 10.499 1.00 14.34 H new ATOM 0 HB2 ALA A 44 11.892 9.480 10.428 1.00 14.34 H new ATOM 0 HB3 ALA A 44 13.559 8.939 10.739 1.00 14.34 H new ATOM 617 N ASP A 45 12.325 6.804 13.890 1.00 34.35 N ATOM 618 CA ASP A 45 12.963 5.705 14.606 1.00 73.31 C ATOM 619 C ASP A 45 13.415 4.616 13.638 1.00 50.02 C ATOM 620 O ASP A 45 12.753 4.349 12.634 1.00 45.35 O ATOM 621 CB ASP A 45 12.003 5.117 15.642 1.00 60.03 C ATOM 622 CG ASP A 45 11.371 6.182 16.516 1.00 4.40 C ATOM 623 OD1 ASP A 45 10.553 6.968 15.995 1.00 42.50 O ATOM 624 OD2 ASP A 45 11.696 6.231 17.721 1.00 20.42 O ATOM 0 H ASP A 45 11.322 6.888 14.054 1.00 34.35 H new ATOM 0 HA ASP A 45 13.841 6.099 15.118 1.00 73.31 H new ATOM 0 HB2 ASP A 45 11.219 4.558 15.131 1.00 60.03 H new ATOM 0 HB3 ASP A 45 12.541 4.408 16.271 1.00 60.03 H new ATOM 629 N LEU A 46 14.546 3.991 13.945 1.00 20.13 N ATOM 630 CA LEU A 46 15.088 2.931 13.102 1.00 42.11 C ATOM 631 C LEU A 46 15.030 1.584 13.815 1.00 10.12 C ATOM 632 O LEU A 46 15.515 1.443 14.938 1.00 11.42 O ATOM 633 CB LEU A 46 16.532 3.252 12.711 1.00 73.14 C ATOM 634 CG LEU A 46 17.284 2.152 11.961 1.00 22.00 C ATOM 635 CD1 LEU A 46 18.209 2.755 10.915 1.00 55.22 C ATOM 636 CD2 LEU A 46 18.071 1.285 12.934 1.00 55.50 C ATOM 0 H LEU A 46 15.106 4.200 14.772 1.00 20.13 H new ATOM 0 HA LEU A 46 14.478 2.870 12.201 1.00 42.11 H new ATOM 0 HB2 LEU A 46 16.529 4.149 12.092 1.00 73.14 H new ATOM 0 HB3 LEU A 46 17.088 3.492 13.617 1.00 73.14 H new ATOM 0 HG LEU A 46 16.554 1.522 11.452 1.00 22.00 H new ATOM 0 HD11 LEU A 46 18.736 1.957 10.392 1.00 55.22 H new ATOM 0 HD12 LEU A 46 17.623 3.332 10.200 1.00 55.22 H new ATOM 0 HD13 LEU A 46 18.933 3.408 11.402 1.00 55.22 H new ATOM 0 HD21 LEU A 46 18.600 0.508 12.383 1.00 55.50 H new ATOM 0 HD22 LEU A 46 18.791 1.902 13.471 1.00 55.50 H new ATOM 0 HD23 LEU A 46 17.386 0.823 13.646 1.00 55.50 H new ATOM 648 N TYR A 47 14.436 0.596 13.155 1.00 13.43 N ATOM 649 CA TYR A 47 14.314 -0.740 13.726 1.00 0.32 C ATOM 650 C TYR A 47 14.641 -1.808 12.687 1.00 3.12 C ATOM 651 O TYR A 47 14.406 -1.622 11.493 1.00 41.15 O ATOM 652 CB TYR A 47 12.901 -0.958 14.271 1.00 43.24 C ATOM 653 CG TYR A 47 12.590 -0.130 15.497 1.00 44.21 C ATOM 654 CD1 TYR A 47 13.004 -0.538 16.759 1.00 65.24 C ATOM 655 CD2 TYR A 47 11.883 1.062 15.393 1.00 23.14 C ATOM 656 CE1 TYR A 47 12.722 0.215 17.882 1.00 71.23 C ATOM 657 CE2 TYR A 47 11.597 1.822 16.511 1.00 44.21 C ATOM 658 CZ TYR A 47 12.018 1.394 17.753 1.00 44.23 C ATOM 659 OH TYR A 47 11.736 2.148 18.869 1.00 61.01 O ATOM 0 H TYR A 47 14.031 0.695 12.224 1.00 13.43 H new ATOM 0 HA TYR A 47 15.029 -0.824 14.545 1.00 0.32 H new ATOM 0 HB2 TYR A 47 12.179 -0.721 13.490 1.00 43.24 H new ATOM 0 HB3 TYR A 47 12.773 -2.013 14.513 1.00 43.24 H new ATOM 0 HD1 TYR A 47 13.556 -1.460 16.864 1.00 65.24 H new ATOM 0 HD2 TYR A 47 11.552 1.400 14.422 1.00 23.14 H new ATOM 0 HE1 TYR A 47 13.051 -0.117 18.856 1.00 71.23 H new ATOM 0 HE2 TYR A 47 11.047 2.746 16.413 1.00 44.21 H new ATOM 0 HH TYR A 47 11.235 2.948 18.605 1.00 61.01 H new ATOM 669 N LEU A 48 15.185 -2.928 13.151 1.00 10.21 N ATOM 670 CA LEU A 48 15.545 -4.028 12.264 1.00 71.24 C ATOM 671 C LEU A 48 15.506 -5.361 13.005 1.00 53.31 C ATOM 672 O LEU A 48 16.023 -5.481 14.116 1.00 61.44 O ATOM 673 CB LEU A 48 16.938 -3.800 11.675 1.00 42.11 C ATOM 674 CG LEU A 48 17.120 -4.195 10.209 1.00 43.51 C ATOM 675 CD1 LEU A 48 18.584 -4.096 9.807 1.00 11.14 C ATOM 676 CD2 LEU A 48 16.592 -5.601 9.966 1.00 42.25 C ATOM 0 H LEU A 48 15.386 -3.098 14.136 1.00 10.21 H new ATOM 0 HA LEU A 48 14.816 -4.062 11.454 1.00 71.24 H new ATOM 0 HB2 LEU A 48 17.186 -2.744 11.779 1.00 42.11 H new ATOM 0 HB3 LEU A 48 17.659 -4.357 12.273 1.00 42.11 H new ATOM 0 HG LEU A 48 16.548 -3.502 9.592 1.00 43.51 H new ATOM 0 HD11 LEU A 48 18.694 -4.381 8.761 1.00 11.14 H new ATOM 0 HD12 LEU A 48 18.930 -3.071 9.942 1.00 11.14 H new ATOM 0 HD13 LEU A 48 19.178 -4.765 10.430 1.00 11.14 H new ATOM 0 HD21 LEU A 48 16.730 -5.865 8.918 1.00 42.25 H new ATOM 0 HD22 LEU A 48 17.136 -6.307 10.593 1.00 42.25 H new ATOM 0 HD23 LEU A 48 15.531 -5.639 10.213 1.00 42.25 H new ATOM 688 N LYS A 49 14.890 -6.360 12.382 1.00 23.33 N ATOM 689 CA LYS A 49 14.786 -7.686 12.980 1.00 30.11 C ATOM 690 C LYS A 49 14.943 -8.774 11.922 1.00 13.22 C ATOM 691 O LYS A 49 14.430 -8.650 10.811 1.00 74.04 O ATOM 692 CB LYS A 49 13.440 -7.843 13.692 1.00 5.42 C ATOM 693 CG LYS A 49 13.566 -8.296 15.136 1.00 33.33 C ATOM 694 CD LYS A 49 12.225 -8.735 15.701 1.00 22.32 C ATOM 695 CE LYS A 49 12.182 -8.585 17.214 1.00 14.21 C ATOM 696 NZ LYS A 49 13.201 -9.437 17.886 1.00 62.21 N ATOM 0 H LYS A 49 14.455 -6.277 11.463 1.00 23.33 H new ATOM 0 HA LYS A 49 15.590 -7.793 13.708 1.00 30.11 H new ATOM 0 HB2 LYS A 49 12.910 -6.891 13.663 1.00 5.42 H new ATOM 0 HB3 LYS A 49 12.831 -8.563 13.146 1.00 5.42 H new ATOM 0 HG2 LYS A 49 14.276 -9.121 15.199 1.00 33.33 H new ATOM 0 HG3 LYS A 49 13.968 -7.482 15.740 1.00 33.33 H new ATOM 0 HD2 LYS A 49 11.428 -8.142 15.253 1.00 22.32 H new ATOM 0 HD3 LYS A 49 12.038 -9.775 15.432 1.00 22.32 H new ATOM 0 HE2 LYS A 49 12.349 -7.541 17.480 1.00 14.21 H new ATOM 0 HE3 LYS A 49 11.189 -8.852 17.577 1.00 14.21 H new ATOM 0 HZ1 LYS A 49 13.073 -9.384 18.917 1.00 62.21 H new ATOM 0 HZ2 LYS A 49 13.090 -10.423 17.573 1.00 62.21 H new ATOM 0 HZ3 LYS A 49 14.153 -9.100 17.638 1.00 62.21 H new ATOM 710 N ALA A 50 15.654 -9.839 12.276 1.00 34.34 N ATOM 711 CA ALA A 50 15.874 -10.950 11.359 1.00 44.14 C ATOM 712 C ALA A 50 14.659 -11.869 11.307 1.00 71.31 C ATOM 713 O ALA A 50 14.187 -12.230 10.230 1.00 72.23 O ATOM 714 CB ALA A 50 17.114 -11.733 11.766 1.00 52.11 C ATOM 0 H ALA A 50 16.088 -9.956 13.192 1.00 34.34 H new ATOM 0 HA ALA A 50 16.028 -10.539 10.361 1.00 44.14 H new ATOM 0 HB1 ALA A 50 17.266 -12.560 11.072 1.00 52.11 H new ATOM 0 HB2 ALA A 50 17.983 -11.076 11.743 1.00 52.11 H new ATOM 0 HB3 ALA A 50 16.982 -12.125 12.774 1.00 52.11 H new ATOM 720 N GLY A 51 14.157 -12.246 12.479 1.00 13.41 N ATOM 721 CA GLY A 51 13.001 -13.121 12.544 1.00 12.35 C ATOM 722 C GLY A 51 11.744 -12.462 12.012 1.00 51.31 C ATOM 723 O GLY A 51 11.508 -12.445 10.804 1.00 73.11 O ATOM 0 H GLY A 51 14.530 -11.961 13.385 1.00 13.41 H new ATOM 0 HA2 GLY A 51 13.202 -14.027 11.972 1.00 12.35 H new ATOM 0 HA3 GLY A 51 12.838 -13.426 13.578 1.00 12.35 H new ATOM 727 N SER A 52 10.934 -11.918 12.915 1.00 22.42 N ATOM 728 CA SER A 52 9.691 -11.260 12.530 1.00 45.21 C ATOM 729 C SER A 52 9.815 -9.745 12.664 1.00 62.12 C ATOM 730 O SER A 52 10.713 -9.241 13.339 1.00 52.42 O ATOM 731 CB SER A 52 8.533 -11.766 13.391 1.00 31.41 C ATOM 732 OG SER A 52 7.955 -12.934 12.833 1.00 2.13 O ATOM 0 H SER A 52 11.117 -11.920 13.919 1.00 22.42 H new ATOM 0 HA SER A 52 9.490 -11.500 11.486 1.00 45.21 H new ATOM 0 HB2 SER A 52 8.891 -11.979 14.398 1.00 31.41 H new ATOM 0 HB3 SER A 52 7.775 -10.988 13.480 1.00 31.41 H new ATOM 0 HG SER A 52 7.218 -13.239 13.403 1.00 2.13 H new ATOM 738 N LYS A 53 8.907 -9.024 12.015 1.00 31.13 N ATOM 739 CA LYS A 53 8.911 -7.567 12.061 1.00 0.31 C ATOM 740 C LYS A 53 9.122 -7.068 13.487 1.00 14.21 C ATOM 741 O LYS A 53 8.428 -7.472 14.421 1.00 52.25 O ATOM 742 CB LYS A 53 7.596 -7.015 11.505 1.00 4.32 C ATOM 743 CG LYS A 53 7.737 -5.650 10.854 1.00 50.13 C ATOM 744 CD LYS A 53 7.265 -4.540 11.778 1.00 52.35 C ATOM 745 CE LYS A 53 5.798 -4.209 11.547 1.00 21.12 C ATOM 746 NZ LYS A 53 4.970 -5.437 11.395 1.00 31.30 N ATOM 0 H LYS A 53 8.158 -9.426 11.450 1.00 31.13 H new ATOM 0 HA LYS A 53 9.737 -7.211 11.445 1.00 0.31 H new ATOM 0 HB2 LYS A 53 7.197 -7.718 10.774 1.00 4.32 H new ATOM 0 HB3 LYS A 53 6.868 -6.949 12.314 1.00 4.32 H new ATOM 0 HG2 LYS A 53 8.779 -5.481 10.583 1.00 50.13 H new ATOM 0 HG3 LYS A 53 7.160 -5.625 9.930 1.00 50.13 H new ATOM 0 HD2 LYS A 53 7.412 -4.841 12.815 1.00 52.35 H new ATOM 0 HD3 LYS A 53 7.870 -3.648 11.616 1.00 52.35 H new ATOM 0 HE2 LYS A 53 5.423 -3.619 12.383 1.00 21.12 H new ATOM 0 HE3 LYS A 53 5.701 -3.593 10.653 1.00 21.12 H new ATOM 0 HZ1 LYS A 53 3.970 -5.171 11.290 1.00 31.30 H new ATOM 0 HZ2 LYS A 53 5.279 -5.962 10.552 1.00 31.30 H new ATOM 0 HZ3 LYS A 53 5.082 -6.038 12.237 1.00 31.30 H new ATOM 760 N PRO A 54 10.100 -6.167 13.661 1.00 24.45 N ATOM 761 CA PRO A 54 10.423 -5.593 14.971 1.00 41.42 C ATOM 762 C PRO A 54 9.334 -4.652 15.475 1.00 1.22 C ATOM 763 O PRO A 54 8.733 -3.908 14.699 1.00 0.35 O ATOM 764 CB PRO A 54 11.718 -4.820 14.709 1.00 3.24 C ATOM 765 CG PRO A 54 11.678 -4.493 13.256 1.00 21.54 C ATOM 766 CD PRO A 54 10.967 -5.641 12.594 1.00 41.12 C ATOM 0 HA PRO A 54 10.516 -6.359 15.741 1.00 41.42 H new ATOM 0 HB2 PRO A 54 11.769 -3.917 15.317 1.00 3.24 H new ATOM 0 HB3 PRO A 54 12.594 -5.420 14.956 1.00 3.24 H new ATOM 0 HG2 PRO A 54 11.152 -3.555 13.081 1.00 21.54 H new ATOM 0 HG3 PRO A 54 12.684 -4.373 12.855 1.00 21.54 H new ATOM 0 HD2 PRO A 54 10.388 -5.311 11.732 1.00 41.12 H new ATOM 0 HD3 PRO A 54 11.668 -6.396 12.237 1.00 41.12 H new ATOM 774 N THR A 55 9.084 -4.689 16.780 1.00 1.14 N ATOM 775 CA THR A 55 8.067 -3.840 17.388 1.00 30.42 C ATOM 776 C THR A 55 8.695 -2.812 18.321 1.00 1.44 C ATOM 777 O THR A 55 9.915 -2.773 18.490 1.00 55.44 O ATOM 778 CB THR A 55 7.039 -4.673 18.178 1.00 42.13 C ATOM 779 OG1 THR A 55 7.475 -4.833 19.532 1.00 22.12 O ATOM 780 CG2 THR A 55 6.843 -6.039 17.538 1.00 42.02 C ATOM 0 H THR A 55 9.572 -5.298 17.436 1.00 1.14 H new ATOM 0 HA THR A 55 7.558 -3.324 16.574 1.00 30.42 H new ATOM 0 HB THR A 55 6.087 -4.143 18.164 1.00 42.13 H new ATOM 0 HG1 THR A 55 6.816 -5.362 20.028 1.00 22.12 H new ATOM 0 HG21 THR A 55 6.113 -6.609 18.113 1.00 42.02 H new ATOM 0 HG22 THR A 55 6.483 -5.914 16.517 1.00 42.02 H new ATOM 0 HG23 THR A 55 7.792 -6.574 17.525 1.00 42.02 H new ATOM 788 N THR A 56 7.855 -1.979 18.928 1.00 0.31 N ATOM 789 CA THR A 56 8.328 -0.949 19.844 1.00 2.05 C ATOM 790 C THR A 56 9.053 -1.564 21.036 1.00 62.20 C ATOM 791 O THR A 56 9.783 -0.879 21.752 1.00 42.11 O ATOM 792 CB THR A 56 7.167 -0.078 20.359 1.00 54.23 C ATOM 793 OG1 THR A 56 6.234 -0.885 21.086 1.00 54.12 O ATOM 794 CG2 THR A 56 6.456 0.613 19.205 1.00 71.25 C ATOM 0 H THR A 56 6.843 -1.998 18.801 1.00 0.31 H new ATOM 0 HA THR A 56 9.022 -0.323 19.283 1.00 2.05 H new ATOM 0 HB THR A 56 7.579 0.684 21.020 1.00 54.23 H new ATOM 0 HG1 THR A 56 5.500 -0.323 21.411 1.00 54.12 H new ATOM 0 HG21 THR A 56 5.640 1.222 19.593 1.00 71.25 H new ATOM 0 HG22 THR A 56 7.162 1.249 18.671 1.00 71.25 H new ATOM 0 HG23 THR A 56 6.056 -0.137 18.523 1.00 71.25 H new ATOM 802 N SER A 57 8.848 -2.861 21.243 1.00 74.04 N ATOM 803 CA SER A 57 9.480 -3.568 22.350 1.00 32.21 C ATOM 804 C SER A 57 10.416 -4.657 21.835 1.00 21.35 C ATOM 805 O SER A 57 11.372 -5.039 22.510 1.00 22.33 O ATOM 806 CB SER A 57 8.417 -4.183 23.263 1.00 4.14 C ATOM 807 OG SER A 57 7.824 -3.197 24.090 1.00 34.23 O ATOM 0 H SER A 57 8.249 -3.443 20.658 1.00 74.04 H new ATOM 0 HA SER A 57 10.067 -2.849 22.921 1.00 32.21 H new ATOM 0 HB2 SER A 57 7.649 -4.665 22.659 1.00 4.14 H new ATOM 0 HB3 SER A 57 8.869 -4.958 23.882 1.00 4.14 H new ATOM 0 HG SER A 57 7.147 -3.614 24.663 1.00 34.23 H new ATOM 813 N SER A 58 10.133 -5.153 20.635 1.00 24.31 N ATOM 814 CA SER A 58 10.947 -6.201 20.030 1.00 20.31 C ATOM 815 C SER A 58 11.867 -5.624 18.959 1.00 61.34 C ATOM 816 O SER A 58 11.412 -4.965 18.024 1.00 2.32 O ATOM 817 CB SER A 58 10.053 -7.283 19.422 1.00 73.32 C ATOM 818 OG SER A 58 10.376 -8.562 19.939 1.00 32.42 O ATOM 0 H SER A 58 9.347 -4.846 20.062 1.00 24.31 H new ATOM 0 HA SER A 58 11.563 -6.646 20.812 1.00 20.31 H new ATOM 0 HB2 SER A 58 9.008 -7.056 19.632 1.00 73.32 H new ATOM 0 HB3 SER A 58 10.167 -7.286 18.338 1.00 73.32 H new ATOM 0 HG SER A 58 9.789 -9.236 19.536 1.00 32.42 H new ATOM 824 N TRP A 59 13.163 -5.878 19.102 1.00 52.12 N ATOM 825 CA TRP A 59 14.148 -5.384 18.147 1.00 42.14 C ATOM 826 C TRP A 59 15.378 -6.284 18.119 1.00 64.21 C ATOM 827 O TRP A 59 15.698 -6.944 19.108 1.00 61.54 O ATOM 828 CB TRP A 59 14.556 -3.952 18.498 1.00 24.30 C ATOM 829 CG TRP A 59 14.276 -3.588 19.924 1.00 13.25 C ATOM 830 CD1 TRP A 59 13.159 -2.967 20.407 1.00 2.02 C ATOM 831 CD2 TRP A 59 15.127 -3.820 21.052 1.00 62.12 C ATOM 832 NE1 TRP A 59 13.265 -2.799 21.767 1.00 63.31 N ATOM 833 CE2 TRP A 59 14.463 -3.315 22.187 1.00 71.03 C ATOM 834 CE3 TRP A 59 16.385 -4.407 21.213 1.00 31.35 C ATOM 835 CZ2 TRP A 59 15.016 -3.379 23.463 1.00 61.43 C ATOM 836 CZ3 TRP A 59 16.933 -4.470 22.481 1.00 73.25 C ATOM 837 CH2 TRP A 59 16.249 -3.960 23.592 1.00 52.52 C ATOM 0 H TRP A 59 13.556 -6.423 19.870 1.00 52.12 H new ATOM 0 HA TRP A 59 13.693 -5.392 17.157 1.00 42.14 H new ATOM 0 HB2 TRP A 59 15.621 -3.826 18.301 1.00 24.30 H new ATOM 0 HB3 TRP A 59 14.027 -3.260 17.843 1.00 24.30 H new ATOM 0 HD1 TRP A 59 12.316 -2.654 19.808 1.00 2.02 H new ATOM 0 HE1 TRP A 59 12.565 -2.361 22.366 1.00 63.31 H new ATOM 0 HE3 TRP A 59 16.919 -4.804 20.363 1.00 31.35 H new ATOM 0 HZ2 TRP A 59 14.491 -2.984 24.320 1.00 61.43 H new ATOM 0 HZ3 TRP A 59 17.905 -4.920 22.617 1.00 73.25 H new ATOM 0 HH2 TRP A 59 16.703 -4.026 24.570 1.00 52.52 H new ATOM 848 N ASP A 60 16.065 -6.306 16.982 1.00 53.13 N ATOM 849 CA ASP A 60 17.261 -7.125 16.826 1.00 3.24 C ATOM 850 C ASP A 60 18.496 -6.251 16.628 1.00 11.14 C ATOM 851 O ASP A 60 19.600 -6.617 17.034 1.00 35.33 O ATOM 852 CB ASP A 60 17.102 -8.080 15.642 1.00 13.52 C ATOM 853 CG ASP A 60 18.066 -9.248 15.706 1.00 1.51 C ATOM 854 OD1 ASP A 60 17.886 -10.118 16.583 1.00 24.52 O ATOM 855 OD2 ASP A 60 19.000 -9.291 14.879 1.00 70.25 O ATOM 0 H ASP A 60 15.814 -5.765 16.154 1.00 53.13 H new ATOM 0 HA ASP A 60 17.392 -7.708 17.737 1.00 3.24 H new ATOM 0 HB2 ASP A 60 16.080 -8.457 15.618 1.00 13.52 H new ATOM 0 HB3 ASP A 60 17.261 -7.532 14.713 1.00 13.52 H new ATOM 860 N CYS A 61 18.302 -5.096 16.002 1.00 43.22 N ATOM 861 CA CYS A 61 19.401 -4.170 15.748 1.00 74.11 C ATOM 862 C CYS A 61 18.946 -2.725 15.925 1.00 32.13 C ATOM 863 O CYS A 61 18.014 -2.271 15.261 1.00 34.44 O ATOM 864 CB CYS A 61 19.951 -4.374 14.336 1.00 63.51 C ATOM 865 SG CYS A 61 20.447 -6.076 13.976 1.00 10.30 S ATOM 0 H CYS A 61 17.395 -4.778 15.661 1.00 43.22 H new ATOM 0 HA CYS A 61 20.191 -4.375 16.471 1.00 74.11 H new ATOM 0 HB2 CYS A 61 19.194 -4.067 13.615 1.00 63.51 H new ATOM 0 HB3 CYS A 61 20.810 -3.719 14.194 1.00 63.51 H new ATOM 0 HG CYS A 61 20.897 -6.149 12.758 1.00 10.30 H new ATOM 871 N ARG A 62 19.609 -2.008 16.826 1.00 1.23 N ATOM 872 CA ARG A 62 19.271 -0.615 17.093 1.00 21.02 C ATOM 873 C ARG A 62 20.110 -0.063 18.242 1.00 13.42 C ATOM 874 O ARG A 62 20.107 -0.590 19.355 1.00 71.03 O ATOM 875 CB ARG A 62 17.783 -0.483 17.424 1.00 24.54 C ATOM 876 CG ARG A 62 17.305 -1.466 18.481 1.00 5.11 C ATOM 877 CD ARG A 62 16.183 -0.878 19.322 1.00 50.34 C ATOM 878 NE ARG A 62 16.427 -1.042 20.752 1.00 14.21 N ATOM 879 CZ ARG A 62 15.815 -0.326 21.689 1.00 54.33 C ATOM 880 NH1 ARG A 62 14.927 0.598 21.347 1.00 0.23 N ATOM 881 NH2 ARG A 62 16.090 -0.533 22.970 1.00 33.51 N ATOM 0 H ARG A 62 20.383 -2.369 17.384 1.00 1.23 H new ATOM 0 HA ARG A 62 19.489 -0.036 16.196 1.00 21.02 H new ATOM 0 HB2 ARG A 62 17.584 0.532 17.768 1.00 24.54 H new ATOM 0 HB3 ARG A 62 17.202 -0.631 16.513 1.00 24.54 H new ATOM 0 HG2 ARG A 62 16.959 -2.380 17.999 1.00 5.11 H new ATOM 0 HG3 ARG A 62 18.139 -1.742 19.127 1.00 5.11 H new ATOM 0 HD2 ARG A 62 16.075 0.182 19.092 1.00 50.34 H new ATOM 0 HD3 ARG A 62 15.241 -1.359 19.057 1.00 50.34 H new ATOM 0 HE ARG A 62 17.104 -1.745 21.048 1.00 14.21 H new ATOM 0 HH11 ARG A 62 14.713 0.760 20.363 1.00 0.23 H new ATOM 0 HH12 ARG A 62 14.458 1.147 22.068 1.00 0.23 H new ATOM 0 HH21 ARG A 62 16.772 -1.243 23.237 1.00 33.51 H new ATOM 0 HH22 ARG A 62 15.619 0.018 23.688 1.00 33.51 H new ATOM 895 N PRO A 63 20.846 1.025 17.968 1.00 33.25 N ATOM 896 CA PRO A 63 21.703 1.672 18.966 1.00 13.31 C ATOM 897 C PRO A 63 20.897 2.371 20.056 1.00 4.30 C ATOM 898 O PRO A 63 21.459 3.038 20.925 1.00 1.23 O ATOM 899 CB PRO A 63 22.492 2.695 18.145 1.00 1.12 C ATOM 900 CG PRO A 63 21.626 2.986 16.968 1.00 22.14 C ATOM 901 CD PRO A 63 20.897 1.706 16.664 1.00 5.31 C ATOM 0 HA PRO A 63 22.330 0.953 19.493 1.00 13.31 H new ATOM 0 HB2 PRO A 63 22.691 3.598 18.723 1.00 1.12 H new ATOM 0 HB3 PRO A 63 23.458 2.295 17.836 1.00 1.12 H new ATOM 0 HG2 PRO A 63 20.925 3.791 17.189 1.00 22.14 H new ATOM 0 HG3 PRO A 63 22.223 3.308 16.114 1.00 22.14 H new ATOM 0 HD2 PRO A 63 19.898 1.896 16.270 1.00 5.31 H new ATOM 0 HD3 PRO A 63 21.425 1.110 15.920 1.00 5.31 H new ATOM 909 N TYR A 64 19.579 2.214 20.004 1.00 44.20 N ATOM 910 CA TYR A 64 18.697 2.832 20.986 1.00 13.32 C ATOM 911 C TYR A 64 19.182 4.232 21.350 1.00 52.20 C ATOM 912 O TYR A 64 19.697 4.458 22.445 1.00 35.34 O ATOM 913 CB TYR A 64 18.613 1.966 22.244 1.00 3.33 C ATOM 914 CG TYR A 64 19.934 1.345 22.640 1.00 12.35 C ATOM 915 CD1 TYR A 64 20.312 0.100 22.155 1.00 71.33 C ATOM 916 CD2 TYR A 64 20.804 2.005 23.500 1.00 32.10 C ATOM 917 CE1 TYR A 64 21.517 -0.472 22.515 1.00 50.42 C ATOM 918 CE2 TYR A 64 22.012 1.442 23.864 1.00 34.23 C ATOM 919 CZ TYR A 64 22.363 0.203 23.370 1.00 44.35 C ATOM 920 OH TYR A 64 23.565 -0.362 23.729 1.00 4.25 O ATOM 0 H TYR A 64 19.098 1.664 19.292 1.00 44.20 H new ATOM 0 HA TYR A 64 17.704 2.915 20.543 1.00 13.32 H new ATOM 0 HB2 TYR A 64 18.245 2.574 23.070 1.00 3.33 H new ATOM 0 HB3 TYR A 64 17.883 1.173 22.081 1.00 3.33 H new ATOM 0 HD1 TYR A 64 19.652 -0.431 21.484 1.00 71.33 H new ATOM 0 HD2 TYR A 64 20.531 2.974 23.890 1.00 32.10 H new ATOM 0 HE1 TYR A 64 21.795 -1.442 22.129 1.00 50.42 H new ATOM 0 HE2 TYR A 64 22.678 1.969 24.532 1.00 34.23 H new ATOM 0 HH TYR A 64 24.042 0.242 24.335 1.00 4.25 H new ATOM 930 N ARG A 65 19.013 5.169 20.423 1.00 51.31 N ATOM 931 CA ARG A 65 19.433 6.548 20.644 1.00 24.43 C ATOM 932 C ARG A 65 18.275 7.513 20.412 1.00 0.42 C ATOM 933 O ARG A 65 17.815 8.181 21.339 1.00 73.31 O ATOM 934 CB ARG A 65 20.600 6.902 19.720 1.00 11.01 C ATOM 935 CG ARG A 65 21.715 7.668 20.413 1.00 13.40 C ATOM 936 CD ARG A 65 23.055 7.439 19.733 1.00 60.35 C ATOM 937 NE ARG A 65 23.897 6.510 20.482 1.00 44.51 N ATOM 938 CZ ARG A 65 24.578 6.851 21.571 1.00 61.14 C ATOM 939 NH1 ARG A 65 24.515 8.091 22.035 1.00 45.22 N ATOM 940 NH2 ARG A 65 25.323 5.949 22.198 1.00 50.53 N ATOM 0 H ARG A 65 18.588 4.999 19.512 1.00 51.31 H new ATOM 0 HA ARG A 65 19.758 6.641 21.680 1.00 24.43 H new ATOM 0 HB2 ARG A 65 21.009 5.984 19.298 1.00 11.01 H new ATOM 0 HB3 ARG A 65 20.225 7.497 18.887 1.00 11.01 H new ATOM 0 HG2 ARG A 65 21.482 8.733 20.411 1.00 13.40 H new ATOM 0 HG3 ARG A 65 21.777 7.357 21.456 1.00 13.40 H new ATOM 0 HD2 ARG A 65 22.890 7.049 18.728 1.00 60.35 H new ATOM 0 HD3 ARG A 65 23.574 8.391 19.624 1.00 60.35 H new ATOM 0 HE ARG A 65 23.966 5.548 20.151 1.00 44.51 H new ATOM 0 HH11 ARG A 65 23.943 8.786 21.556 1.00 45.22 H new ATOM 0 HH12 ARG A 65 25.039 8.350 22.871 1.00 45.22 H new ATOM 0 HH21 ARG A 65 25.373 4.994 21.844 1.00 50.53 H new ATOM 0 HH22 ARG A 65 25.846 6.211 23.034 1.00 50.53 H new ATOM 954 N TYR A 66 17.809 7.583 19.170 1.00 24.22 N ATOM 955 CA TYR A 66 16.707 8.469 18.816 1.00 61.25 C ATOM 956 C TYR A 66 16.212 8.184 17.401 1.00 63.42 C ATOM 957 O TYR A 66 16.549 7.160 16.808 1.00 61.34 O ATOM 958 CB TYR A 66 17.143 9.931 18.930 1.00 31.54 C ATOM 959 CG TYR A 66 16.119 10.817 19.603 1.00 72.40 C ATOM 960 CD1 TYR A 66 15.598 10.488 20.848 1.00 12.43 C ATOM 961 CD2 TYR A 66 15.673 11.983 18.993 1.00 21.11 C ATOM 962 CE1 TYR A 66 14.662 11.295 21.466 1.00 75.30 C ATOM 963 CE2 TYR A 66 14.738 12.796 19.604 1.00 41.10 C ATOM 964 CZ TYR A 66 14.235 12.447 20.840 1.00 0.50 C ATOM 965 OH TYR A 66 13.304 13.254 21.453 1.00 55.14 O ATOM 0 H TYR A 66 18.178 7.037 18.392 1.00 24.22 H new ATOM 0 HA TYR A 66 15.889 8.285 19.512 1.00 61.25 H new ATOM 0 HB2 TYR A 66 18.077 9.980 19.489 1.00 31.54 H new ATOM 0 HB3 TYR A 66 17.348 10.319 17.932 1.00 31.54 H new ATOM 0 HD1 TYR A 66 15.930 9.586 21.341 1.00 12.43 H new ATOM 0 HD2 TYR A 66 16.064 12.258 18.025 1.00 21.11 H new ATOM 0 HE1 TYR A 66 14.267 11.025 22.434 1.00 75.30 H new ATOM 0 HE2 TYR A 66 14.403 13.700 19.117 1.00 41.10 H new ATOM 0 HH TYR A 66 13.112 14.026 20.880 1.00 55.14 H new ATOM 975 N GLY A 67 15.410 9.099 16.865 1.00 21.15 N ATOM 976 CA GLY A 67 14.881 8.929 15.525 1.00 44.13 C ATOM 977 C GLY A 67 15.973 8.858 14.476 1.00 63.43 C ATOM 978 O GLY A 67 16.632 7.830 14.325 1.00 30.41 O ATOM 0 H GLY A 67 15.117 9.955 17.336 1.00 21.15 H new ATOM 0 HA2 GLY A 67 14.284 8.018 15.486 1.00 44.13 H new ATOM 0 HA3 GLY A 67 14.212 9.758 15.294 1.00 44.13 H new ATOM 982 N ASN A 68 16.165 9.953 13.747 1.00 34.23 N ATOM 983 CA ASN A 68 17.183 10.009 12.705 1.00 41.21 C ATOM 984 C ASN A 68 18.583 9.969 13.310 1.00 62.44 C ATOM 985 O ASN A 68 18.753 10.124 14.518 1.00 30.41 O ATOM 986 CB ASN A 68 17.014 11.278 11.866 1.00 22.51 C ATOM 987 CG ASN A 68 17.644 12.492 12.521 1.00 34.11 C ATOM 988 OD1 ASN A 68 18.703 12.958 12.102 1.00 61.12 O ATOM 989 ND2 ASN A 68 16.992 13.010 13.555 1.00 11.35 N ATOM 0 H ASN A 68 15.629 10.813 13.859 1.00 34.23 H new ATOM 0 HA ASN A 68 17.059 9.137 12.063 1.00 41.21 H new ATOM 0 HB2 ASN A 68 17.463 11.124 10.885 1.00 22.51 H new ATOM 0 HB3 ASN A 68 15.952 11.465 11.705 1.00 22.51 H new ATOM 0 HD21 ASN A 68 17.366 13.828 14.036 1.00 11.35 H new ATOM 0 HD22 ASN A 68 16.117 12.590 13.868 1.00 11.35 H new ATOM 996 N ASN A 69 19.583 9.760 12.459 1.00 22.44 N ATOM 997 CA ASN A 69 20.969 9.699 12.910 1.00 60.34 C ATOM 998 C ASN A 69 21.187 8.510 13.841 1.00 14.22 C ATOM 999 O ASN A 69 22.200 8.431 14.535 1.00 14.03 O ATOM 1000 CB ASN A 69 21.353 10.997 13.623 1.00 60.24 C ATOM 1001 CG ASN A 69 22.830 11.314 13.490 1.00 51.43 C ATOM 1002 OD1 ASN A 69 23.512 10.789 12.610 1.00 5.10 O ATOM 1003 ND2 ASN A 69 23.330 12.178 14.366 1.00 44.15 N ATOM 0 H ASN A 69 19.460 9.630 11.455 1.00 22.44 H new ATOM 0 HA ASN A 69 21.605 9.572 12.034 1.00 60.34 H new ATOM 0 HB2 ASN A 69 20.769 11.821 13.212 1.00 60.24 H new ATOM 0 HB3 ASN A 69 21.095 10.919 14.679 1.00 60.24 H new ATOM 0 HD21 ASN A 69 24.317 12.431 14.326 1.00 44.15 H new ATOM 0 HD22 ASN A 69 22.727 12.588 15.079 1.00 44.15 H new ATOM 1010 N GLU A 70 20.229 7.589 13.849 1.00 34.55 N ATOM 1011 CA GLU A 70 20.316 6.404 14.696 1.00 41.40 C ATOM 1012 C GLU A 70 20.125 5.133 13.874 1.00 22.12 C ATOM 1013 O GLU A 70 18.998 4.734 13.580 1.00 2.41 O ATOM 1014 CB GLU A 70 19.268 6.467 15.809 1.00 3.52 C ATOM 1015 CG GLU A 70 18.911 5.108 16.386 1.00 14.11 C ATOM 1016 CD GLU A 70 17.504 4.673 16.024 1.00 32.35 C ATOM 1017 OE1 GLU A 70 16.937 5.235 15.064 1.00 35.45 O ATOM 1018 OE2 GLU A 70 16.970 3.769 16.702 1.00 4.32 O ATOM 0 H GLU A 70 19.384 7.640 13.279 1.00 34.55 H new ATOM 0 HA GLU A 70 21.310 6.381 15.144 1.00 41.40 H new ATOM 0 HB2 GLU A 70 19.639 7.106 16.610 1.00 3.52 H new ATOM 0 HB3 GLU A 70 18.364 6.936 15.420 1.00 3.52 H new ATOM 0 HG2 GLU A 70 19.622 4.365 16.024 1.00 14.11 H new ATOM 0 HG3 GLU A 70 19.010 5.141 17.471 1.00 14.11 H new ATOM 1025 N SER A 71 21.235 4.501 13.506 1.00 21.22 N ATOM 1026 CA SER A 71 21.191 3.277 12.715 1.00 61.04 C ATOM 1027 C SER A 71 22.166 2.240 13.264 1.00 71.44 C ATOM 1028 O SER A 71 22.971 2.535 14.147 1.00 1.05 O ATOM 1029 CB SER A 71 21.521 3.579 11.251 1.00 35.24 C ATOM 1030 OG SER A 71 20.866 4.757 10.814 1.00 41.21 O ATOM 0 H SER A 71 22.176 4.816 13.743 1.00 21.22 H new ATOM 0 HA SER A 71 20.182 2.870 12.777 1.00 61.04 H new ATOM 0 HB2 SER A 71 22.599 3.693 11.134 1.00 35.24 H new ATOM 0 HB3 SER A 71 21.220 2.738 10.626 1.00 35.24 H new ATOM 0 HG SER A 71 21.268 5.536 11.252 1.00 41.21 H new ATOM 1036 N CYS A 72 22.087 1.024 12.734 1.00 53.23 N ATOM 1037 CA CYS A 72 22.961 -0.059 13.170 1.00 12.23 C ATOM 1038 C CYS A 72 23.838 -0.546 12.022 1.00 72.34 C ATOM 1039 O CYS A 72 23.450 -0.469 10.856 1.00 65.23 O ATOM 1040 CB CYS A 72 22.132 -1.219 13.724 1.00 64.24 C ATOM 1041 SG CYS A 72 22.767 -1.908 15.270 1.00 3.11 S ATOM 0 H CYS A 72 21.426 0.764 12.002 1.00 53.23 H new ATOM 0 HA CYS A 72 23.608 0.324 13.959 1.00 12.23 H new ATOM 0 HB2 CYS A 72 21.110 -0.877 13.884 1.00 64.24 H new ATOM 0 HB3 CYS A 72 22.090 -2.011 12.976 1.00 64.24 H new ATOM 0 HG CYS A 72 22.653 -3.203 15.247 1.00 3.11 H new ATOM 1047 N SER A 73 25.022 -1.047 12.359 1.00 0.22 N ATOM 1048 CA SER A 73 25.957 -1.542 11.356 1.00 51.15 C ATOM 1049 C SER A 73 26.430 -2.950 11.702 1.00 60.42 C ATOM 1050 O SER A 73 27.200 -3.146 12.643 1.00 55.42 O ATOM 1051 CB SER A 73 27.158 -0.602 11.240 1.00 65.04 C ATOM 1052 OG SER A 73 27.451 0.008 12.485 1.00 54.22 O ATOM 0 H SER A 73 25.357 -1.121 13.320 1.00 0.22 H new ATOM 0 HA SER A 73 25.439 -1.577 10.398 1.00 51.15 H new ATOM 0 HB2 SER A 73 28.027 -1.159 10.891 1.00 65.04 H new ATOM 0 HB3 SER A 73 26.952 0.166 10.495 1.00 65.04 H new ATOM 0 HG SER A 73 28.224 0.603 12.384 1.00 54.22 H new ATOM 1058 N VAL A 74 25.964 -3.930 10.934 1.00 73.02 N ATOM 1059 CA VAL A 74 26.339 -5.321 11.157 1.00 31.12 C ATOM 1060 C VAL A 74 26.307 -6.115 9.856 1.00 42.31 C ATOM 1061 O VAL A 74 25.511 -5.828 8.961 1.00 25.35 O ATOM 1062 CB VAL A 74 25.407 -5.997 12.180 1.00 14.55 C ATOM 1063 CG1 VAL A 74 25.843 -7.431 12.435 1.00 75.54 C ATOM 1064 CG2 VAL A 74 25.376 -5.202 13.478 1.00 75.44 C ATOM 0 H VAL A 74 25.326 -3.786 10.152 1.00 73.02 H new ATOM 0 HA VAL A 74 27.355 -5.315 11.551 1.00 31.12 H new ATOM 0 HB VAL A 74 24.398 -6.018 11.768 1.00 14.55 H new ATOM 0 HG11 VAL A 74 25.172 -7.892 13.160 1.00 75.54 H new ATOM 0 HG12 VAL A 74 25.809 -7.993 11.502 1.00 75.54 H new ATOM 0 HG13 VAL A 74 26.860 -7.438 12.826 1.00 75.54 H new ATOM 0 HG21 VAL A 74 24.713 -5.693 14.190 1.00 75.44 H new ATOM 0 HG22 VAL A 74 26.381 -5.148 13.896 1.00 75.44 H new ATOM 0 HG23 VAL A 74 25.012 -4.194 13.279 1.00 75.44 H new ATOM 1074 N SER A 75 27.178 -7.114 9.757 1.00 31.13 N ATOM 1075 CA SER A 75 27.252 -7.948 8.563 1.00 23.14 C ATOM 1076 C SER A 75 26.085 -8.929 8.512 1.00 13.14 C ATOM 1077 O SER A 75 26.049 -9.907 9.258 1.00 35.12 O ATOM 1078 CB SER A 75 28.577 -8.713 8.531 1.00 1.43 C ATOM 1079 OG SER A 75 28.370 -10.079 8.216 1.00 1.42 O ATOM 0 H SER A 75 27.842 -7.366 10.489 1.00 31.13 H new ATOM 0 HA SER A 75 27.195 -7.297 7.691 1.00 23.14 H new ATOM 0 HB2 SER A 75 29.242 -8.263 7.794 1.00 1.43 H new ATOM 0 HB3 SER A 75 29.071 -8.631 9.499 1.00 1.43 H new ATOM 0 HG SER A 75 29.232 -10.545 8.201 1.00 1.42 H new ATOM 1085 N ALA A 76 25.132 -8.659 7.626 1.00 14.24 N ATOM 1086 CA ALA A 76 23.963 -9.517 7.476 1.00 64.44 C ATOM 1087 C ALA A 76 24.268 -10.704 6.567 1.00 13.12 C ATOM 1088 O ALA A 76 25.032 -10.585 5.610 1.00 10.11 O ATOM 1089 CB ALA A 76 22.789 -8.719 6.929 1.00 70.30 C ATOM 0 H ALA A 76 25.147 -7.853 7.001 1.00 14.24 H new ATOM 0 HA ALA A 76 23.697 -9.904 8.460 1.00 64.44 H new ATOM 0 HB1 ALA A 76 21.923 -9.372 6.822 1.00 70.30 H new ATOM 0 HB2 ALA A 76 22.549 -7.908 7.616 1.00 70.30 H new ATOM 0 HB3 ALA A 76 23.053 -8.304 5.956 1.00 70.30 H new ATOM 1095 N ALA A 77 23.665 -11.848 6.874 1.00 2.02 N ATOM 1096 CA ALA A 77 23.871 -13.056 6.084 1.00 1.34 C ATOM 1097 C ALA A 77 22.606 -13.436 5.323 1.00 50.24 C ATOM 1098 O ALA A 77 21.491 -13.346 5.838 1.00 4.00 O ATOM 1099 CB ALA A 77 24.315 -14.203 6.980 1.00 11.31 C ATOM 0 H ALA A 77 23.030 -11.964 7.664 1.00 2.02 H new ATOM 0 HA ALA A 77 24.656 -12.854 5.355 1.00 1.34 H new ATOM 0 HB1 ALA A 77 24.465 -15.099 6.377 1.00 11.31 H new ATOM 0 HB2 ALA A 77 25.249 -13.938 7.475 1.00 11.31 H new ATOM 0 HB3 ALA A 77 23.549 -14.395 7.731 1.00 11.31 H new ATOM 1105 N PRO A 78 22.779 -13.870 4.066 1.00 62.25 N ATOM 1106 CA PRO A 78 21.662 -14.272 3.206 1.00 60.41 C ATOM 1107 C PRO A 78 21.012 -15.572 3.670 1.00 45.24 C ATOM 1108 O PRO A 78 21.699 -16.547 3.973 1.00 50.33 O ATOM 1109 CB PRO A 78 22.319 -14.462 1.836 1.00 13.13 C ATOM 1110 CG PRO A 78 23.744 -14.772 2.139 1.00 31.31 C ATOM 1111 CD PRO A 78 24.079 -14.003 3.387 1.00 42.33 C ATOM 0 HA PRO A 78 20.859 -13.535 3.210 1.00 60.41 H new ATOM 0 HB2 PRO A 78 21.847 -15.272 1.280 1.00 13.13 H new ATOM 0 HB3 PRO A 78 22.230 -13.563 1.226 1.00 13.13 H new ATOM 0 HG2 PRO A 78 23.887 -15.842 2.290 1.00 31.31 H new ATOM 0 HG3 PRO A 78 24.392 -14.477 1.313 1.00 31.31 H new ATOM 0 HD2 PRO A 78 24.802 -14.535 4.005 1.00 42.33 H new ATOM 0 HD3 PRO A 78 24.513 -13.030 3.155 1.00 42.33 H new ATOM 1119 N GLY A 79 19.684 -15.578 3.722 1.00 72.31 N ATOM 1120 CA GLY A 79 18.964 -16.764 4.149 1.00 1.24 C ATOM 1121 C GLY A 79 17.765 -16.433 5.016 1.00 24.32 C ATOM 1122 O GLY A 79 16.852 -17.246 5.162 1.00 14.23 O ATOM 0 H GLY A 79 19.094 -14.783 3.476 1.00 72.31 H new ATOM 0 HA2 GLY A 79 18.632 -17.319 3.272 1.00 1.24 H new ATOM 0 HA3 GLY A 79 19.640 -17.416 4.702 1.00 1.24 H new ATOM 1126 N THR A 80 17.768 -15.237 5.595 1.00 13.44 N ATOM 1127 CA THR A 80 16.674 -14.801 6.455 1.00 60.32 C ATOM 1128 C THR A 80 16.117 -13.458 5.998 1.00 41.11 C ATOM 1129 O THR A 80 16.870 -12.532 5.693 1.00 22.41 O ATOM 1130 CB THR A 80 17.125 -14.685 7.923 1.00 44.41 C ATOM 1131 OG1 THR A 80 17.745 -15.905 8.343 1.00 33.35 O ATOM 1132 CG2 THR A 80 15.944 -14.371 8.829 1.00 44.22 C ATOM 0 H THR A 80 18.516 -14.552 5.484 1.00 13.44 H new ATOM 0 HA THR A 80 15.894 -15.558 6.382 1.00 60.32 H new ATOM 0 HB THR A 80 17.844 -13.869 7.996 1.00 44.41 H new ATOM 0 HG1 THR A 80 18.030 -15.822 9.277 1.00 33.35 H new ATOM 0 HG21 THR A 80 16.287 -14.294 9.861 1.00 44.22 H new ATOM 0 HG22 THR A 80 15.493 -13.426 8.525 1.00 44.22 H new ATOM 0 HG23 THR A 80 15.204 -15.168 8.751 1.00 44.22 H new ATOM 1140 N THR A 81 14.792 -13.356 5.953 1.00 62.01 N ATOM 1141 CA THR A 81 14.134 -12.125 5.533 1.00 61.42 C ATOM 1142 C THR A 81 14.287 -11.033 6.585 1.00 31.33 C ATOM 1143 O THR A 81 14.154 -11.288 7.782 1.00 21.44 O ATOM 1144 CB THR A 81 12.635 -12.354 5.261 1.00 64.42 C ATOM 1145 OG1 THR A 81 12.462 -13.476 4.387 1.00 12.32 O ATOM 1146 CG2 THR A 81 12.003 -11.118 4.639 1.00 21.23 C ATOM 0 H THR A 81 14.154 -14.111 6.202 1.00 62.01 H new ATOM 0 HA THR A 81 14.619 -11.807 4.610 1.00 61.42 H new ATOM 0 HB THR A 81 12.142 -12.555 6.212 1.00 64.42 H new ATOM 0 HG1 THR A 81 11.507 -13.616 4.220 1.00 12.32 H new ATOM 0 HG21 THR A 81 10.945 -11.303 4.456 1.00 21.23 H new ATOM 0 HG22 THR A 81 12.111 -10.273 5.319 1.00 21.23 H new ATOM 0 HG23 THR A 81 12.500 -10.891 3.696 1.00 21.23 H new ATOM 1154 N TYR A 82 14.566 -9.816 6.132 1.00 72.31 N ATOM 1155 CA TYR A 82 14.738 -8.685 7.035 1.00 3.04 C ATOM 1156 C TYR A 82 13.519 -7.769 7.000 1.00 11.21 C ATOM 1157 O TYR A 82 12.952 -7.511 5.938 1.00 51.22 O ATOM 1158 CB TYR A 82 15.994 -7.895 6.664 1.00 64.34 C ATOM 1159 CG TYR A 82 17.281 -8.647 6.921 1.00 73.55 C ATOM 1160 CD1 TYR A 82 17.549 -9.199 8.167 1.00 3.42 C ATOM 1161 CD2 TYR A 82 18.227 -8.808 5.916 1.00 50.23 C ATOM 1162 CE1 TYR A 82 18.724 -9.886 8.406 1.00 15.24 C ATOM 1163 CE2 TYR A 82 19.403 -9.495 6.145 1.00 3.24 C ATOM 1164 CZ TYR A 82 19.647 -10.031 7.392 1.00 22.54 C ATOM 1165 OH TYR A 82 20.817 -10.717 7.626 1.00 5.43 O ATOM 0 H TYR A 82 14.678 -9.588 5.144 1.00 72.31 H new ATOM 0 HA TYR A 82 14.848 -9.075 8.047 1.00 3.04 H new ATOM 0 HB2 TYR A 82 15.945 -7.626 5.609 1.00 64.34 H new ATOM 0 HB3 TYR A 82 16.008 -6.964 7.230 1.00 64.34 H new ATOM 0 HD1 TYR A 82 16.827 -9.089 8.963 1.00 3.42 H new ATOM 0 HD2 TYR A 82 18.039 -8.389 4.939 1.00 50.23 H new ATOM 0 HE1 TYR A 82 18.918 -10.307 9.381 1.00 15.24 H new ATOM 0 HE2 TYR A 82 20.127 -9.612 5.352 1.00 3.24 H new ATOM 0 HH TYR A 82 20.870 -11.489 7.024 1.00 5.43 H new ATOM 1175 N HIS A 83 13.121 -7.279 8.170 1.00 52.10 N ATOM 1176 CA HIS A 83 11.969 -6.390 8.275 1.00 43.25 C ATOM 1177 C HIS A 83 12.413 -4.958 8.557 1.00 12.43 C ATOM 1178 O HIS A 83 13.536 -4.721 9.001 1.00 3.23 O ATOM 1179 CB HIS A 83 11.025 -6.871 9.377 1.00 44.21 C ATOM 1180 CG HIS A 83 9.834 -7.617 8.861 1.00 35.14 C ATOM 1181 ND1 HIS A 83 9.664 -8.975 9.033 1.00 15.42 N ATOM 1182 CD2 HIS A 83 8.748 -7.187 8.177 1.00 60.25 C ATOM 1183 CE1 HIS A 83 8.526 -9.348 8.475 1.00 50.23 C ATOM 1184 NE2 HIS A 83 7.951 -8.282 7.948 1.00 11.32 N ATOM 0 H HIS A 83 13.579 -7.482 9.058 1.00 52.10 H new ATOM 0 HA HIS A 83 11.440 -6.407 7.322 1.00 43.25 H new ATOM 0 HB2 HIS A 83 11.577 -7.514 10.062 1.00 44.21 H new ATOM 0 HB3 HIS A 83 10.683 -6.011 9.953 1.00 44.21 H new ATOM 0 HD2 HIS A 83 8.546 -6.172 7.869 1.00 60.25 H new ATOM 0 HE1 HIS A 83 8.133 -10.354 8.453 1.00 50.23 H new ATOM 0 HE2 HIS A 83 7.060 -8.273 7.452 1.00 11.32 H new ATOM 1192 N VAL A 84 11.523 -4.005 8.296 1.00 31.12 N ATOM 1193 CA VAL A 84 11.822 -2.596 8.523 1.00 63.32 C ATOM 1194 C VAL A 84 10.644 -1.882 9.175 1.00 31.10 C ATOM 1195 O VAL A 84 9.491 -2.103 8.807 1.00 54.43 O ATOM 1196 CB VAL A 84 12.179 -1.879 7.207 1.00 75.51 C ATOM 1197 CG1 VAL A 84 12.938 -0.592 7.489 1.00 71.04 C ATOM 1198 CG2 VAL A 84 12.986 -2.798 6.302 1.00 4.33 C ATOM 0 H VAL A 84 10.589 -4.184 7.927 1.00 31.12 H new ATOM 0 HA VAL A 84 12.681 -2.559 9.193 1.00 63.32 H new ATOM 0 HB VAL A 84 11.254 -1.620 6.691 1.00 75.51 H new ATOM 0 HG11 VAL A 84 13.182 -0.100 6.548 1.00 71.04 H new ATOM 0 HG12 VAL A 84 12.320 0.070 8.095 1.00 71.04 H new ATOM 0 HG13 VAL A 84 13.858 -0.822 8.027 1.00 71.04 H new ATOM 0 HG21 VAL A 84 13.230 -2.275 5.377 1.00 4.33 H new ATOM 0 HG22 VAL A 84 13.907 -3.090 6.807 1.00 4.33 H new ATOM 0 HG23 VAL A 84 12.401 -3.688 6.072 1.00 4.33 H new ATOM 1208 N MET A 85 10.942 -1.025 10.146 1.00 43.34 N ATOM 1209 CA MET A 85 9.907 -0.276 10.848 1.00 11.05 C ATOM 1210 C MET A 85 10.382 1.137 11.172 1.00 62.03 C ATOM 1211 O MET A 85 11.408 1.322 11.827 1.00 65.34 O ATOM 1212 CB MET A 85 9.509 -1.000 12.136 1.00 2.12 C ATOM 1213 CG MET A 85 8.213 -0.490 12.744 1.00 32.25 C ATOM 1214 SD MET A 85 6.760 -0.984 11.798 1.00 70.41 S ATOM 1215 CE MET A 85 5.467 -0.752 13.016 1.00 42.35 C ATOM 0 H MET A 85 11.892 -0.832 10.464 1.00 43.34 H new ATOM 0 HA MET A 85 9.038 -0.207 10.194 1.00 11.05 H new ATOM 0 HB2 MET A 85 9.409 -2.065 11.928 1.00 2.12 H new ATOM 0 HB3 MET A 85 10.311 -0.892 12.866 1.00 2.12 H new ATOM 0 HG2 MET A 85 8.122 -0.865 13.764 1.00 32.25 H new ATOM 0 HG3 MET A 85 8.249 0.598 12.806 1.00 32.25 H new ATOM 0 HE1 MET A 85 4.504 -1.017 12.579 1.00 42.35 H new ATOM 0 HE2 MET A 85 5.662 -1.388 13.879 1.00 42.35 H new ATOM 0 HE3 MET A 85 5.447 0.291 13.331 1.00 42.35 H new ATOM 1225 N ILE A 86 9.630 2.130 10.708 1.00 25.23 N ATOM 1226 CA ILE A 86 9.976 3.525 10.949 1.00 14.34 C ATOM 1227 C ILE A 86 8.880 4.234 11.738 1.00 10.15 C ATOM 1228 O ILE A 86 7.776 4.445 11.237 1.00 15.21 O ATOM 1229 CB ILE A 86 10.214 4.282 9.630 1.00 53.45 C ATOM 1230 CG1 ILE A 86 11.134 3.475 8.712 1.00 71.22 C ATOM 1231 CG2 ILE A 86 10.806 5.656 9.906 1.00 12.24 C ATOM 1232 CD1 ILE A 86 12.535 3.309 9.256 1.00 24.50 C ATOM 0 H ILE A 86 8.778 1.994 10.164 1.00 25.23 H new ATOM 0 HA ILE A 86 10.898 3.526 11.530 1.00 14.34 H new ATOM 0 HB ILE A 86 9.256 4.415 9.128 1.00 53.45 H new ATOM 0 HG12 ILE A 86 10.697 2.490 8.548 1.00 71.22 H new ATOM 0 HG13 ILE A 86 11.186 3.966 7.740 1.00 71.22 H new ATOM 0 HG21 ILE A 86 10.968 6.178 8.963 1.00 12.24 H new ATOM 0 HG22 ILE A 86 10.118 6.231 10.526 1.00 12.24 H new ATOM 0 HG23 ILE A 86 11.757 5.545 10.427 1.00 12.24 H new ATOM 0 HD11 ILE A 86 13.132 2.727 8.553 1.00 24.50 H new ATOM 0 HD12 ILE A 86 12.991 4.290 9.393 1.00 24.50 H new ATOM 0 HD13 ILE A 86 12.494 2.790 10.214 1.00 24.50 H new ATOM 1244 N LYS A 87 9.193 4.601 12.976 1.00 4.43 N ATOM 1245 CA LYS A 87 8.238 5.290 13.836 1.00 52.03 C ATOM 1246 C LYS A 87 8.441 6.800 13.775 1.00 42.52 C ATOM 1247 O LYS A 87 9.523 7.278 13.433 1.00 35.33 O ATOM 1248 CB LYS A 87 8.377 4.804 15.280 1.00 21.11 C ATOM 1249 CG LYS A 87 8.134 3.314 15.446 1.00 24.34 C ATOM 1250 CD LYS A 87 6.783 2.903 14.886 1.00 62.22 C ATOM 1251 CE LYS A 87 5.640 3.522 15.676 1.00 44.35 C ATOM 1252 NZ LYS A 87 5.768 3.259 17.136 1.00 63.14 N ATOM 0 H LYS A 87 10.102 4.432 13.407 1.00 4.43 H new ATOM 0 HA LYS A 87 7.234 5.061 13.477 1.00 52.03 H new ATOM 0 HB2 LYS A 87 9.378 5.043 15.640 1.00 21.11 H new ATOM 0 HB3 LYS A 87 7.673 5.351 15.908 1.00 21.11 H new ATOM 0 HG2 LYS A 87 8.923 2.757 14.940 1.00 24.34 H new ATOM 0 HG3 LYS A 87 8.186 3.052 16.503 1.00 24.34 H new ATOM 0 HD2 LYS A 87 6.713 3.209 13.842 1.00 62.22 H new ATOM 0 HD3 LYS A 87 6.695 1.817 14.907 1.00 62.22 H new ATOM 0 HE2 LYS A 87 5.619 4.598 15.501 1.00 44.35 H new ATOM 0 HE3 LYS A 87 4.692 3.122 15.317 1.00 44.35 H new ATOM 0 HZ1 LYS A 87 4.880 3.515 17.614 1.00 63.14 H new ATOM 0 HZ2 LYS A 87 5.967 2.250 17.291 1.00 63.14 H new ATOM 0 HZ3 LYS A 87 6.547 3.829 17.524 1.00 63.14 H new ATOM 1266 N GLY A 88 7.394 7.548 14.110 1.00 40.33 N ATOM 1267 CA GLY A 88 7.480 8.997 14.088 1.00 75.14 C ATOM 1268 C GLY A 88 7.136 9.618 15.427 1.00 40.52 C ATOM 1269 O GLY A 88 6.286 9.108 16.156 1.00 30.54 O ATOM 0 H GLY A 88 6.488 7.177 14.396 1.00 40.33 H new ATOM 0 HA2 GLY A 88 8.489 9.294 13.802 1.00 75.14 H new ATOM 0 HA3 GLY A 88 6.805 9.387 13.326 1.00 75.14 H new ATOM 1273 N TYR A 89 7.799 10.723 15.752 1.00 72.31 N ATOM 1274 CA TYR A 89 7.562 11.412 17.015 1.00 41.45 C ATOM 1275 C TYR A 89 6.905 12.769 16.779 1.00 34.14 C ATOM 1276 O TYR A 89 6.270 13.327 17.674 1.00 14.01 O ATOM 1277 CB TYR A 89 8.877 11.595 17.774 1.00 10.42 C ATOM 1278 CG TYR A 89 8.726 11.504 19.276 1.00 44.21 C ATOM 1279 CD1 TYR A 89 8.223 12.571 20.010 1.00 50.23 C ATOM 1280 CD2 TYR A 89 9.087 10.350 19.961 1.00 51.20 C ATOM 1281 CE1 TYR A 89 8.085 12.492 21.382 1.00 54.32 C ATOM 1282 CE2 TYR A 89 8.950 10.262 21.333 1.00 65.11 C ATOM 1283 CZ TYR A 89 8.449 11.336 22.039 1.00 64.32 C ATOM 1284 OH TYR A 89 8.312 11.253 23.405 1.00 33.35 O ATOM 0 H TYR A 89 8.504 11.160 15.159 1.00 72.31 H new ATOM 0 HA TYR A 89 6.887 10.800 17.613 1.00 41.45 H new ATOM 0 HB2 TYR A 89 9.587 10.838 17.442 1.00 10.42 H new ATOM 0 HB3 TYR A 89 9.303 12.565 17.518 1.00 10.42 H new ATOM 0 HD1 TYR A 89 7.935 13.478 19.499 1.00 50.23 H new ATOM 0 HD2 TYR A 89 9.481 9.508 19.412 1.00 51.20 H new ATOM 0 HE1 TYR A 89 7.694 13.332 21.937 1.00 54.32 H new ATOM 0 HE2 TYR A 89 9.234 9.357 21.850 1.00 65.11 H new ATOM 0 HH TYR A 89 8.612 10.372 23.711 1.00 33.35 H new ATOM 1294 N SER A 90 7.062 13.293 15.568 1.00 14.21 N ATOM 1295 CA SER A 90 6.487 14.586 15.214 1.00 34.32 C ATOM 1296 C SER A 90 6.506 14.794 13.703 1.00 63.51 C ATOM 1297 O SER A 90 7.544 14.647 13.059 1.00 70.43 O ATOM 1298 CB SER A 90 7.253 15.715 15.906 1.00 53.03 C ATOM 1299 OG SER A 90 8.387 16.100 15.148 1.00 12.34 O ATOM 0 H SER A 90 7.582 12.843 14.815 1.00 14.21 H new ATOM 0 HA SER A 90 5.451 14.600 15.552 1.00 34.32 H new ATOM 0 HB2 SER A 90 6.596 16.573 16.045 1.00 53.03 H new ATOM 0 HB3 SER A 90 7.567 15.391 16.898 1.00 53.03 H new ATOM 0 HG SER A 90 8.476 15.511 14.370 1.00 12.34 H new ATOM 1305 N ASN A 91 5.350 15.136 13.144 1.00 42.40 N ATOM 1306 CA ASN A 91 5.233 15.364 11.708 1.00 1.22 C ATOM 1307 C ASN A 91 6.501 16.007 11.154 1.00 21.03 C ATOM 1308 O ASN A 91 6.757 17.191 11.375 1.00 32.01 O ATOM 1309 CB ASN A 91 4.024 16.253 11.409 1.00 45.23 C ATOM 1310 CG ASN A 91 3.554 16.124 9.973 1.00 54.31 C ATOM 1311 OD1 ASN A 91 4.191 16.633 9.051 1.00 40.22 O ATOM 1312 ND2 ASN A 91 2.432 15.441 9.778 1.00 53.25 N ATOM 0 H ASN A 91 4.481 15.261 13.663 1.00 42.40 H new ATOM 0 HA ASN A 91 5.095 14.398 11.222 1.00 1.22 H new ATOM 0 HB2 ASN A 91 3.207 15.989 12.081 1.00 45.23 H new ATOM 0 HB3 ASN A 91 4.281 17.292 11.612 1.00 45.23 H new ATOM 0 HD21 ASN A 91 2.065 15.321 8.834 1.00 53.25 H new ATOM 0 HD22 ASN A 91 1.937 15.036 10.573 1.00 53.25 H new ATOM 1319 N TYR A 92 7.291 15.219 10.434 1.00 71.24 N ATOM 1320 CA TYR A 92 8.533 15.710 9.849 1.00 22.23 C ATOM 1321 C TYR A 92 9.034 14.765 8.761 1.00 2.02 C ATOM 1322 O TYR A 92 9.382 13.616 9.033 1.00 74.21 O ATOM 1323 CB TYR A 92 9.602 15.871 10.932 1.00 53.32 C ATOM 1324 CG TYR A 92 10.058 17.300 11.124 1.00 34.04 C ATOM 1325 CD1 TYR A 92 10.390 18.097 10.036 1.00 71.21 C ATOM 1326 CD2 TYR A 92 10.155 17.853 12.395 1.00 0.33 C ATOM 1327 CE1 TYR A 92 10.808 19.402 10.207 1.00 14.34 C ATOM 1328 CE2 TYR A 92 10.570 19.158 12.576 1.00 4.42 C ATOM 1329 CZ TYR A 92 10.896 19.929 11.479 1.00 20.43 C ATOM 1330 OH TYR A 92 11.310 21.229 11.654 1.00 3.12 O ATOM 0 H TYR A 92 7.093 14.237 10.241 1.00 71.24 H new ATOM 0 HA TYR A 92 8.333 16.682 9.397 1.00 22.23 H new ATOM 0 HB2 TYR A 92 9.210 15.493 11.876 1.00 53.32 H new ATOM 0 HB3 TYR A 92 10.464 15.255 10.675 1.00 53.32 H new ATOM 0 HD1 TYR A 92 10.320 17.689 9.039 1.00 71.21 H new ATOM 0 HD2 TYR A 92 9.902 17.252 13.256 1.00 0.33 H new ATOM 0 HE1 TYR A 92 11.065 20.007 9.350 1.00 14.34 H new ATOM 0 HE2 TYR A 92 10.639 19.573 13.571 1.00 4.42 H new ATOM 0 HH TYR A 92 11.316 21.445 12.610 1.00 3.12 H new ATOM 1340 N SER A 93 9.069 15.259 7.528 1.00 40.13 N ATOM 1341 CA SER A 93 9.524 14.459 6.397 1.00 44.44 C ATOM 1342 C SER A 93 10.795 15.048 5.791 1.00 0.34 C ATOM 1343 O SER A 93 11.030 16.254 5.865 1.00 23.41 O ATOM 1344 CB SER A 93 8.430 14.375 5.331 1.00 51.21 C ATOM 1345 OG SER A 93 7.837 15.643 5.107 1.00 21.24 O ATOM 0 H SER A 93 8.788 16.209 7.287 1.00 40.13 H new ATOM 0 HA SER A 93 9.746 13.455 6.760 1.00 44.44 H new ATOM 0 HB2 SER A 93 8.853 13.999 4.400 1.00 51.21 H new ATOM 0 HB3 SER A 93 7.666 13.663 5.645 1.00 51.21 H new ATOM 0 HG SER A 93 7.142 15.563 4.420 1.00 21.24 H new ATOM 1351 N GLY A 94 11.612 14.187 5.192 1.00 0.12 N ATOM 1352 CA GLY A 94 12.849 14.639 4.583 1.00 50.32 C ATOM 1353 C GLY A 94 14.054 13.857 5.067 1.00 13.21 C ATOM 1354 O GLY A 94 15.170 14.376 5.095 1.00 13.23 O ATOM 0 H GLY A 94 11.439 13.185 5.118 1.00 0.12 H new ATOM 0 HA2 GLY A 94 12.772 14.547 3.500 1.00 50.32 H new ATOM 0 HA3 GLY A 94 12.994 15.697 4.804 1.00 50.32 H new ATOM 1358 N VAL A 95 13.829 12.605 5.451 1.00 32.34 N ATOM 1359 CA VAL A 95 14.905 11.749 5.938 1.00 53.42 C ATOM 1360 C VAL A 95 15.164 10.594 4.978 1.00 24.52 C ATOM 1361 O VAL A 95 14.247 10.094 4.327 1.00 54.05 O ATOM 1362 CB VAL A 95 14.583 11.182 7.333 1.00 61.50 C ATOM 1363 CG1 VAL A 95 15.831 11.162 8.202 1.00 0.14 C ATOM 1364 CG2 VAL A 95 13.475 11.988 7.994 1.00 45.23 C ATOM 0 H VAL A 95 12.911 12.160 5.434 1.00 32.34 H new ATOM 0 HA VAL A 95 15.799 12.369 6.005 1.00 53.42 H new ATOM 0 HB VAL A 95 14.234 10.156 7.217 1.00 61.50 H new ATOM 0 HG11 VAL A 95 15.584 10.758 9.184 1.00 0.14 H new ATOM 0 HG12 VAL A 95 16.591 10.537 7.733 1.00 0.14 H new ATOM 0 HG13 VAL A 95 16.214 12.177 8.313 1.00 0.14 H new ATOM 0 HG21 VAL A 95 13.261 11.573 8.979 1.00 45.23 H new ATOM 0 HG22 VAL A 95 13.793 13.025 8.099 1.00 45.23 H new ATOM 0 HG23 VAL A 95 12.576 11.944 7.379 1.00 45.23 H new ATOM 1374 N THR A 96 16.422 10.171 4.896 1.00 43.12 N ATOM 1375 CA THR A 96 16.804 9.074 4.015 1.00 1.24 C ATOM 1376 C THR A 96 16.967 7.775 4.795 1.00 30.52 C ATOM 1377 O THR A 96 17.863 7.648 5.631 1.00 13.23 O ATOM 1378 CB THR A 96 18.118 9.382 3.272 1.00 74.40 C ATOM 1379 OG1 THR A 96 18.218 10.787 3.016 1.00 63.11 O ATOM 1380 CG2 THR A 96 18.189 8.615 1.960 1.00 53.53 C ATOM 0 H THR A 96 17.194 10.572 5.429 1.00 43.12 H new ATOM 0 HA THR A 96 16.002 8.959 3.286 1.00 1.24 H new ATOM 0 HB THR A 96 18.950 9.069 3.903 1.00 74.40 H new ATOM 0 HG1 THR A 96 18.466 11.253 3.842 1.00 63.11 H new ATOM 0 HG21 THR A 96 19.125 8.848 1.453 1.00 53.53 H new ATOM 0 HG22 THR A 96 18.142 7.545 2.161 1.00 53.53 H new ATOM 0 HG23 THR A 96 17.351 8.902 1.325 1.00 53.53 H new ATOM 1388 N LEU A 97 16.097 6.810 4.517 1.00 51.12 N ATOM 1389 CA LEU A 97 16.145 5.518 5.192 1.00 31.03 C ATOM 1390 C LEU A 97 16.732 4.447 4.278 1.00 0.24 C ATOM 1391 O LEU A 97 16.344 4.326 3.116 1.00 12.13 O ATOM 1392 CB LEU A 97 14.744 5.105 5.646 1.00 55.12 C ATOM 1393 CG LEU A 97 14.606 3.683 6.191 1.00 43.10 C ATOM 1394 CD1 LEU A 97 14.565 2.676 5.052 1.00 51.42 C ATOM 1395 CD2 LEU A 97 15.748 3.365 7.145 1.00 3.10 C ATOM 0 H LEU A 97 15.350 6.898 3.828 1.00 51.12 H new ATOM 0 HA LEU A 97 16.789 5.616 6.066 1.00 31.03 H new ATOM 0 HB2 LEU A 97 14.414 5.801 6.417 1.00 55.12 H new ATOM 0 HB3 LEU A 97 14.063 5.217 4.802 1.00 55.12 H new ATOM 0 HG LEU A 97 13.668 3.615 6.742 1.00 43.10 H new ATOM 0 HD11 LEU A 97 14.467 1.670 5.459 1.00 51.42 H new ATOM 0 HD12 LEU A 97 13.713 2.891 4.407 1.00 51.42 H new ATOM 0 HD13 LEU A 97 15.486 2.744 4.473 1.00 51.42 H new ATOM 0 HD21 LEU A 97 15.634 2.349 7.523 1.00 3.10 H new ATOM 0 HD22 LEU A 97 16.698 3.451 6.617 1.00 3.10 H new ATOM 0 HD23 LEU A 97 15.732 4.067 7.979 1.00 3.10 H new ATOM 1407 N LYS A 98 17.669 3.670 4.812 1.00 52.44 N ATOM 1408 CA LYS A 98 18.308 2.607 4.046 1.00 21.54 C ATOM 1409 C LYS A 98 18.603 1.401 4.933 1.00 61.44 C ATOM 1410 O LYS A 98 18.591 1.502 6.160 1.00 22.32 O ATOM 1411 CB LYS A 98 19.604 3.115 3.411 1.00 1.21 C ATOM 1412 CG LYS A 98 20.199 2.158 2.393 1.00 52.04 C ATOM 1413 CD LYS A 98 20.837 2.904 1.233 1.00 71.23 C ATOM 1414 CE LYS A 98 21.744 4.023 1.721 1.00 14.10 C ATOM 1415 NZ LYS A 98 23.002 4.103 0.929 1.00 61.00 N ATOM 0 H LYS A 98 18.002 3.757 5.772 1.00 52.44 H new ATOM 0 HA LYS A 98 17.622 2.298 3.257 1.00 21.54 H new ATOM 0 HB2 LYS A 98 19.411 4.072 2.927 1.00 1.21 H new ATOM 0 HB3 LYS A 98 20.337 3.297 4.197 1.00 1.21 H new ATOM 0 HG2 LYS A 98 20.946 1.529 2.877 1.00 52.04 H new ATOM 0 HG3 LYS A 98 19.420 1.495 2.016 1.00 52.04 H new ATOM 0 HD2 LYS A 98 21.413 2.207 0.624 1.00 71.23 H new ATOM 0 HD3 LYS A 98 20.058 3.319 0.593 1.00 71.23 H new ATOM 0 HE2 LYS A 98 21.214 4.973 1.658 1.00 14.10 H new ATOM 0 HE3 LYS A 98 21.986 3.862 2.772 1.00 14.10 H new ATOM 0 HZ1 LYS A 98 23.593 4.878 1.293 1.00 61.00 H new ATOM 0 HZ2 LYS A 98 23.521 3.205 1.010 1.00 61.00 H new ATOM 0 HZ3 LYS A 98 22.773 4.282 -0.070 1.00 61.00 H new ATOM 1429 N LEU A 99 18.869 0.261 4.304 1.00 51.12 N ATOM 1430 CA LEU A 99 19.169 -0.965 5.036 1.00 40.33 C ATOM 1431 C LEU A 99 20.671 -1.112 5.259 1.00 13.42 C ATOM 1432 O LEU A 99 21.472 -0.801 4.378 1.00 33.20 O ATOM 1433 CB LEU A 99 18.634 -2.180 4.276 1.00 53.30 C ATOM 1434 CG LEU A 99 19.554 -3.400 4.227 1.00 1.32 C ATOM 1435 CD1 LEU A 99 18.745 -4.671 4.025 1.00 34.32 C ATOM 1436 CD2 LEU A 99 20.589 -3.243 3.123 1.00 62.12 C ATOM 0 H LEU A 99 18.883 0.160 3.289 1.00 51.12 H new ATOM 0 HA LEU A 99 18.679 -0.908 6.008 1.00 40.33 H new ATOM 0 HB2 LEU A 99 17.690 -2.480 4.730 1.00 53.30 H new ATOM 0 HB3 LEU A 99 18.413 -1.875 3.253 1.00 53.30 H new ATOM 0 HG LEU A 99 20.077 -3.475 5.180 1.00 1.32 H new ATOM 0 HD11 LEU A 99 19.417 -5.529 3.993 1.00 34.32 H new ATOM 0 HD12 LEU A 99 18.043 -4.791 4.850 1.00 34.32 H new ATOM 0 HD13 LEU A 99 18.194 -4.606 3.087 1.00 34.32 H new ATOM 0 HD21 LEU A 99 21.235 -4.121 3.103 1.00 62.12 H new ATOM 0 HD22 LEU A 99 20.084 -3.142 2.162 1.00 62.12 H new ATOM 0 HD23 LEU A 99 21.190 -2.354 3.312 1.00 62.12 H new ATOM 1448 N GLN A 100 21.044 -1.589 6.442 1.00 12.44 N ATOM 1449 CA GLN A 100 22.449 -1.778 6.780 1.00 25.13 C ATOM 1450 C GLN A 100 22.870 -3.229 6.568 1.00 15.25 C ATOM 1451 O GLN A 100 22.410 -4.128 7.274 1.00 45.34 O ATOM 1452 CB GLN A 100 22.707 -1.367 8.231 1.00 51.20 C ATOM 1453 CG GLN A 100 21.882 -2.148 9.241 1.00 73.25 C ATOM 1454 CD GLN A 100 22.659 -3.285 9.875 1.00 51.31 C ATOM 1455 OE1 GLN A 100 23.743 -3.644 9.414 1.00 33.21 O ATOM 1456 NE2 GLN A 100 22.108 -3.858 10.939 1.00 41.42 N ATOM 0 H GLN A 100 20.393 -1.851 7.182 1.00 12.44 H new ATOM 0 HA GLN A 100 23.043 -1.146 6.120 1.00 25.13 H new ATOM 0 HB2 GLN A 100 23.765 -1.503 8.456 1.00 51.20 H new ATOM 0 HB3 GLN A 100 22.492 -0.304 8.343 1.00 51.20 H new ATOM 0 HG2 GLN A 100 21.534 -1.471 10.021 1.00 73.25 H new ATOM 0 HG3 GLN A 100 20.996 -2.549 8.749 1.00 73.25 H new ATOM 0 HE21 GLN A 100 21.208 -3.528 11.287 1.00 41.42 H new ATOM 0 HE22 GLN A 100 22.585 -4.628 11.408 1.00 41.42 H new ATOM 1465 N TYR A 101 23.744 -3.450 5.593 1.00 11.23 N ATOM 1466 CA TYR A 101 24.224 -4.792 5.287 1.00 72.13 C ATOM 1467 C TYR A 101 25.711 -4.924 5.600 1.00 10.25 C ATOM 1468 O TYR A 101 26.106 -5.705 6.465 1.00 40.45 O ATOM 1469 CB TYR A 101 23.970 -5.123 3.815 1.00 24.20 C ATOM 1470 CG TYR A 101 24.751 -4.254 2.856 1.00 42.24 C ATOM 1471 CD1 TYR A 101 24.327 -2.967 2.550 1.00 14.44 C ATOM 1472 CD2 TYR A 101 25.914 -4.719 2.255 1.00 65.50 C ATOM 1473 CE1 TYR A 101 25.037 -2.169 1.674 1.00 74.32 C ATOM 1474 CE2 TYR A 101 26.632 -3.929 1.378 1.00 13.42 C ATOM 1475 CZ TYR A 101 26.188 -2.655 1.091 1.00 45.55 C ATOM 1476 OH TYR A 101 26.899 -1.863 0.218 1.00 43.21 O ATOM 0 H TYR A 101 24.135 -2.717 5.001 1.00 11.23 H new ATOM 0 HA TYR A 101 23.676 -5.498 5.912 1.00 72.13 H new ATOM 0 HB2 TYR A 101 24.226 -6.167 3.637 1.00 24.20 H new ATOM 0 HB3 TYR A 101 22.906 -5.015 3.605 1.00 24.20 H new ATOM 0 HD1 TYR A 101 23.426 -2.583 3.005 1.00 14.44 H new ATOM 0 HD2 TYR A 101 26.263 -5.716 2.477 1.00 65.50 H new ATOM 0 HE1 TYR A 101 24.693 -1.171 1.447 1.00 74.32 H new ATOM 0 HE2 TYR A 101 27.535 -4.306 0.920 1.00 13.42 H new ATOM 0 HH TYR A 101 27.684 -2.354 -0.103 1.00 43.21 H new TER 1486 TYR A 101