USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 979 hydrogens (91 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 NoAdj-H: A 42 ASNHD21 : A 42 ASN ND2 : A 117 B6D C1 :(H bumps) USER MOD Set 1.1: A 121 A2G O6 : rot 180:sc=-0.000203 USER MOD Set 1.2: A 123 BGC O3 : rot 180:sc= 0 USER MOD Set 2.1: A 121 A2G O3 : rot 180:sc= 0 USER MOD Set 2.2: A 122 A2G O6 : rot 180:sc= 0 USER MOD Set 3.1: A 119 A2G O3 : rot 180:sc= -0.0432 USER MOD Set 3.2: A 120 A2G O6 : rot 180:sc= 0 USER MOD Set 4.1: A 118 A2G O3 : rot 180:sc= 0 USER MOD Set 4.2: A 119 A2G O6 : rot 180:sc= 0 USER MOD Set 5.1: A 34 GLN :FLIP amide:sc= -2.46 F(o=-5.5!,f=-2.5) USER MOD Set 5.2: A 68 THR OG1 : rot 180:sc= -0.0338 USER MOD Single : A 1 ASP N :NH3+ 164:sc= 0 (180deg=-0.222) USER MOD Single : A 5 LYS NZ :NH3+ -173:sc= 0.0245 (180deg=0.0224) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.747 K(o=-0.75,f=-3.6!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 153:sc= 0.237 (180deg=0.0395) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -1.79 X(o=-1.8,f=-1.9!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0113 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -150:sc= -0.588 (180deg=-2.59!) USER MOD Single : A 44 SER OG : rot 70:sc= -0.512 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 51 SER OG : rot 180:sc=-0.00627 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0415 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -74:sc= 1.21 USER MOD Single : A 67 HIS : no HE2:sc= -1.38 K(o=-1.4,f=-2.1) USER MOD Single : A 71 LYS NZ :NH3+ -121:sc= -0.196 (180deg=-1.19) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.729 USER MOD Single : A 93 THR OG1 : rot 90:sc= 0.0995 USER MOD Single : A 94 THR OG1 : rot 31:sc= 1.06 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 101 ASN : amide:sc= -0.692 X(o=-0.69,f=-0.3) USER MOD Single : A 103 ASN : amide:sc= -2.11 K(o=-2.1,f=-5.2!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.0709 X(o=-0.071,f=-0.0071) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 113 HIS : no HD1:sc= -0.0047 X(o=-0.0047,f=0) USER MOD Single : A 114 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.33) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= -0.0381 X(o=-0.038,f=0) USER MOD Single : A 118 A2G O6 : rot -12:sc= 0.0411 USER MOD Single : A 122 A2G O3 : rot 180:sc= 0 USER MOD Single : A 122 A2G O4 : rot 88:sc= 0 USER MOD Single : A 123 BGC O2 : rot 180:sc= 0 USER MOD Single : A 123 BGC O4 : rot 160:sc= 0 USER MOD Single : A 123 BGC O6 : rot -25:sc= 1.61 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.233 0.182 -0.398 1.00 43.52 N ATOM 2 CA ASP A 1 2.544 -0.029 -1.000 1.00 11.32 C ATOM 3 C ASP A 1 3.099 1.275 -1.566 1.00 62.20 C ATOM 4 O ASP A 1 3.308 1.401 -2.772 1.00 23.22 O ATOM 5 CB ASP A 1 2.457 -1.083 -2.106 1.00 2.02 C ATOM 6 CG ASP A 1 1.228 -0.906 -2.978 1.00 54.53 C ATOM 7 OD1 ASP A 1 0.941 0.243 -3.373 1.00 54.42 O ATOM 8 OD2 ASP A 1 0.557 -1.918 -3.266 1.00 64.32 O ATOM 0 H1 ASP A 1 0.760 -0.735 -0.266 1.00 43.52 H new ATOM 0 H2 ASP A 1 1.346 0.649 0.524 1.00 43.52 H new ATOM 0 H3 ASP A 1 0.657 0.782 -1.022 1.00 43.52 H new ATOM 0 HA ASP A 1 3.221 -0.384 -0.222 1.00 11.32 H new ATOM 0 HB2 ASP A 1 3.351 -1.028 -2.727 1.00 2.02 H new ATOM 0 HB3 ASP A 1 2.441 -2.076 -1.657 1.00 2.02 H new ATOM 13 N VAL A 2 3.334 2.243 -0.686 1.00 54.42 N ATOM 14 CA VAL A 2 3.865 3.537 -1.097 1.00 62.44 C ATOM 15 C VAL A 2 5.054 3.943 -0.233 1.00 63.21 C ATOM 16 O VAL A 2 5.155 3.545 0.928 1.00 65.02 O ATOM 17 CB VAL A 2 2.788 4.636 -1.017 1.00 74.43 C ATOM 18 CG1 VAL A 2 3.298 5.930 -1.632 1.00 54.41 C ATOM 19 CG2 VAL A 2 1.510 4.179 -1.703 1.00 72.42 C ATOM 0 H VAL A 2 3.165 2.155 0.316 1.00 54.42 H new ATOM 0 HA VAL A 2 4.191 3.431 -2.132 1.00 62.44 H new ATOM 0 HB VAL A 2 2.564 4.824 0.033 1.00 74.43 H new ATOM 0 HG11 VAL A 2 2.523 6.694 -1.566 1.00 54.41 H new ATOM 0 HG12 VAL A 2 4.184 6.264 -1.093 1.00 54.41 H new ATOM 0 HG13 VAL A 2 3.552 5.760 -2.678 1.00 54.41 H new ATOM 0 HG21 VAL A 2 0.760 4.967 -1.637 1.00 72.42 H new ATOM 0 HG22 VAL A 2 1.717 3.962 -2.751 1.00 72.42 H new ATOM 0 HG23 VAL A 2 1.136 3.280 -1.213 1.00 72.42 H new ATOM 29 N ILE A 3 5.951 4.738 -0.807 1.00 11.01 N ATOM 30 CA ILE A 3 7.132 5.199 -0.089 1.00 73.10 C ATOM 31 C ILE A 3 7.036 6.688 0.228 1.00 51.45 C ATOM 32 O ILE A 3 6.759 7.504 -0.652 1.00 72.03 O ATOM 33 CB ILE A 3 8.418 4.940 -0.896 1.00 52.23 C ATOM 34 CG1 ILE A 3 8.603 3.439 -1.133 1.00 42.44 C ATOM 35 CG2 ILE A 3 9.624 5.520 -0.171 1.00 74.21 C ATOM 36 CD1 ILE A 3 9.905 3.092 -1.821 1.00 11.13 C ATOM 0 H ILE A 3 5.882 5.076 -1.767 1.00 11.01 H new ATOM 0 HA ILE A 3 7.176 4.633 0.842 1.00 73.10 H new ATOM 0 HB ILE A 3 8.328 5.434 -1.864 1.00 52.23 H new ATOM 0 HG12 ILE A 3 8.558 2.920 -0.176 1.00 42.44 H new ATOM 0 HG13 ILE A 3 7.773 3.069 -1.736 1.00 42.44 H new ATOM 0 HG21 ILE A 3 10.525 5.329 -0.754 1.00 74.21 H new ATOM 0 HG22 ILE A 3 9.492 6.595 -0.048 1.00 74.21 H new ATOM 0 HG23 ILE A 3 9.719 5.052 0.809 1.00 74.21 H new ATOM 0 HD11 ILE A 3 9.968 2.012 -1.956 1.00 11.13 H new ATOM 0 HD12 ILE A 3 9.945 3.583 -2.794 1.00 11.13 H new ATOM 0 HD13 ILE A 3 10.741 3.431 -1.209 1.00 11.13 H new ATOM 48 N ILE A 4 7.270 7.034 1.490 1.00 2.12 N ATOM 49 CA ILE A 4 7.212 8.425 1.921 1.00 43.33 C ATOM 50 C ILE A 4 8.546 9.128 1.691 1.00 20.50 C ATOM 51 O ILE A 4 9.547 8.810 2.333 1.00 11.03 O ATOM 52 CB ILE A 4 6.837 8.537 3.411 1.00 72.41 C ATOM 53 CG1 ILE A 4 5.411 8.033 3.639 1.00 74.43 C ATOM 54 CG2 ILE A 4 6.978 9.975 3.887 1.00 60.31 C ATOM 55 CD1 ILE A 4 4.997 8.029 5.095 1.00 30.54 C ATOM 0 H ILE A 4 7.501 6.371 2.230 1.00 2.12 H new ATOM 0 HA ILE A 4 6.440 8.909 1.322 1.00 43.33 H new ATOM 0 HB ILE A 4 7.520 7.915 3.990 1.00 72.41 H new ATOM 0 HG12 ILE A 4 4.719 8.658 3.075 1.00 74.43 H new ATOM 0 HG13 ILE A 4 5.324 7.022 3.242 1.00 74.43 H new ATOM 0 HG21 ILE A 4 6.709 10.037 4.942 1.00 60.31 H new ATOM 0 HG22 ILE A 4 8.009 10.302 3.755 1.00 60.31 H new ATOM 0 HG23 ILE A 4 6.316 10.617 3.306 1.00 60.31 H new ATOM 0 HD11 ILE A 4 3.975 7.660 5.182 1.00 30.54 H new ATOM 0 HD12 ILE A 4 5.666 7.381 5.662 1.00 30.54 H new ATOM 0 HD13 ILE A 4 5.051 9.043 5.492 1.00 30.54 H new ATOM 67 N LYS A 5 8.552 10.087 0.772 1.00 21.23 N ATOM 68 CA LYS A 5 9.761 10.838 0.458 1.00 2.34 C ATOM 69 C LYS A 5 9.483 12.338 0.452 1.00 52.12 C ATOM 70 O LYS A 5 8.352 12.784 0.261 1.00 74.43 O ATOM 71 CB LYS A 5 10.316 10.407 -0.902 1.00 23.22 C ATOM 72 CG LYS A 5 10.616 8.921 -0.993 1.00 32.13 C ATOM 73 CD LYS A 5 9.934 8.286 -2.193 1.00 21.14 C ATOM 74 CE LYS A 5 10.863 7.323 -2.917 1.00 62.52 C ATOM 75 NZ LYS A 5 10.751 7.450 -4.396 1.00 21.42 N ATOM 0 H LYS A 5 7.732 10.363 0.231 1.00 21.23 H new ATOM 0 HA LYS A 5 10.501 10.625 1.230 1.00 2.34 H new ATOM 0 HB2 LYS A 5 9.599 10.673 -1.678 1.00 23.22 H new ATOM 0 HB3 LYS A 5 11.229 10.967 -1.106 1.00 23.22 H new ATOM 0 HG2 LYS A 5 11.693 8.770 -1.064 1.00 32.13 H new ATOM 0 HG3 LYS A 5 10.284 8.426 -0.081 1.00 32.13 H new ATOM 0 HD2 LYS A 5 9.040 7.754 -1.866 1.00 21.14 H new ATOM 0 HD3 LYS A 5 9.607 9.065 -2.882 1.00 21.14 H new ATOM 0 HE2 LYS A 5 11.892 7.514 -2.613 1.00 62.52 H new ATOM 0 HE3 LYS A 5 10.628 6.300 -2.622 1.00 62.52 H new ATOM 0 HZ1 LYS A 5 11.308 6.700 -4.852 1.00 21.42 H new ATOM 0 HZ2 LYS A 5 9.754 7.360 -4.678 1.00 21.42 H new ATOM 0 HZ3 LYS A 5 11.112 8.379 -4.693 1.00 21.42 H new ATOM 89 N PRO A 6 10.539 13.137 0.666 1.00 12.34 N ATOM 90 CA PRO A 6 10.435 14.599 0.688 1.00 64.21 C ATOM 91 C PRO A 6 10.150 15.181 -0.692 1.00 21.11 C ATOM 92 O PRO A 6 10.696 14.722 -1.694 1.00 51.21 O ATOM 93 CB PRO A 6 11.812 15.046 1.183 1.00 53.21 C ATOM 94 CG PRO A 6 12.730 13.936 0.801 1.00 52.43 C ATOM 95 CD PRO A 6 11.918 12.675 0.901 1.00 52.33 C ATOM 0 HA PRO A 6 9.611 14.939 1.315 1.00 64.21 H new ATOM 0 HB2 PRO A 6 12.113 15.986 0.720 1.00 53.21 H new ATOM 0 HB3 PRO A 6 11.812 15.207 2.261 1.00 53.21 H new ATOM 0 HG2 PRO A 6 13.111 14.075 -0.211 1.00 52.43 H new ATOM 0 HG3 PRO A 6 13.594 13.898 1.465 1.00 52.43 H new ATOM 0 HD2 PRO A 6 12.227 11.938 0.159 1.00 52.33 H new ATOM 0 HD3 PRO A 6 12.023 12.206 1.879 1.00 52.33 H new ATOM 103 N GLN A 7 9.290 16.194 -0.735 1.00 12.23 N ATOM 104 CA GLN A 7 8.934 16.839 -1.994 1.00 62.41 C ATOM 105 C GLN A 7 9.890 17.983 -2.311 1.00 34.41 C ATOM 106 O GLN A 7 9.617 18.813 -3.178 1.00 64.03 O ATOM 107 CB GLN A 7 7.497 17.361 -1.935 1.00 44.02 C ATOM 108 CG GLN A 7 7.231 18.276 -0.749 1.00 21.20 C ATOM 109 CD GLN A 7 6.138 19.288 -1.027 1.00 20.35 C ATOM 110 OE1 GLN A 7 4.987 18.925 -1.274 1.00 31.22 O ATOM 111 NE2 GLN A 7 6.492 20.568 -0.990 1.00 64.34 N ATOM 0 H GLN A 7 8.828 16.585 0.086 1.00 12.23 H new ATOM 0 HA GLN A 7 9.012 16.096 -2.788 1.00 62.41 H new ATOM 0 HB2 GLN A 7 7.277 17.900 -2.856 1.00 44.02 H new ATOM 0 HB3 GLN A 7 6.813 16.514 -1.890 1.00 44.02 H new ATOM 0 HG2 GLN A 7 6.951 17.673 0.115 1.00 21.20 H new ATOM 0 HG3 GLN A 7 8.149 18.801 -0.487 1.00 21.20 H new ATOM 0 HE21 GLN A 7 7.457 20.824 -0.781 1.00 64.34 H new ATOM 0 HE22 GLN A 7 5.799 21.294 -1.170 1.00 64.34 H new ATOM 120 N VAL A 8 11.014 18.022 -1.601 1.00 15.04 N ATOM 121 CA VAL A 8 12.012 19.064 -1.807 1.00 14.42 C ATOM 122 C VAL A 8 13.412 18.558 -1.474 1.00 62.14 C ATOM 123 O VAL A 8 13.583 17.710 -0.598 1.00 10.33 O ATOM 124 CB VAL A 8 11.710 20.308 -0.952 1.00 73.05 C ATOM 125 CG1 VAL A 8 10.331 20.860 -1.279 1.00 34.14 C ATOM 126 CG2 VAL A 8 11.822 19.976 0.528 1.00 61.14 C ATOM 0 H VAL A 8 11.255 17.344 -0.878 1.00 15.04 H new ATOM 0 HA VAL A 8 11.970 19.339 -2.861 1.00 14.42 H new ATOM 0 HB VAL A 8 12.447 21.076 -1.187 1.00 73.05 H new ATOM 0 HG11 VAL A 8 10.136 21.739 -0.665 1.00 34.14 H new ATOM 0 HG12 VAL A 8 10.291 21.137 -2.332 1.00 34.14 H new ATOM 0 HG13 VAL A 8 9.577 20.100 -1.075 1.00 34.14 H new ATOM 0 HG21 VAL A 8 11.605 20.867 1.118 1.00 61.14 H new ATOM 0 HG22 VAL A 8 11.109 19.191 0.780 1.00 61.14 H new ATOM 0 HG23 VAL A 8 12.833 19.632 0.748 1.00 61.14 H new ATOM 136 N SER A 9 14.410 19.086 -2.176 1.00 23.42 N ATOM 137 CA SER A 9 15.794 18.686 -1.957 1.00 50.23 C ATOM 138 C SER A 9 16.454 19.570 -0.905 1.00 42.43 C ATOM 139 O SER A 9 16.165 20.762 -0.808 1.00 5.43 O ATOM 140 CB SER A 9 16.581 18.757 -3.267 1.00 71.20 C ATOM 141 OG SER A 9 15.739 18.521 -4.382 1.00 64.51 O ATOM 0 H SER A 9 14.285 19.792 -2.901 1.00 23.42 H new ATOM 0 HA SER A 9 15.797 17.658 -1.596 1.00 50.23 H new ATOM 0 HB2 SER A 9 17.048 19.737 -3.361 1.00 71.20 H new ATOM 0 HB3 SER A 9 17.385 18.021 -3.252 1.00 71.20 H new ATOM 0 HG SER A 9 16.266 18.574 -5.207 1.00 64.51 H new ATOM 147 N GLY A 10 17.346 18.977 -0.115 1.00 24.43 N ATOM 148 CA GLY A 10 18.034 19.725 0.920 1.00 11.44 C ATOM 149 C GLY A 10 18.762 18.825 1.899 1.00 23.41 C ATOM 150 O GLY A 10 19.613 18.027 1.505 1.00 64.24 O ATOM 0 H GLY A 10 17.603 17.992 -0.174 1.00 24.43 H new ATOM 0 HA2 GLY A 10 18.748 20.407 0.458 1.00 11.44 H new ATOM 0 HA3 GLY A 10 17.313 20.338 1.461 1.00 11.44 H new ATOM 154 N VAL A 11 18.429 18.954 3.179 1.00 64.10 N ATOM 155 CA VAL A 11 19.058 18.147 4.218 1.00 21.13 C ATOM 156 C VAL A 11 18.081 17.851 5.351 1.00 21.35 C ATOM 157 O VAL A 11 17.352 18.735 5.802 1.00 13.53 O ATOM 158 CB VAL A 11 20.302 18.846 4.796 1.00 61.14 C ATOM 159 CG1 VAL A 11 20.957 17.977 5.859 1.00 14.23 C ATOM 160 CG2 VAL A 11 21.288 19.181 3.688 1.00 10.33 C ATOM 0 H VAL A 11 17.727 19.610 3.522 1.00 64.10 H new ATOM 0 HA VAL A 11 19.362 17.210 3.751 1.00 21.13 H new ATOM 0 HB VAL A 11 19.988 19.778 5.265 1.00 61.14 H new ATOM 0 HG11 VAL A 11 21.835 18.487 6.256 1.00 14.23 H new ATOM 0 HG12 VAL A 11 20.248 17.793 6.666 1.00 14.23 H new ATOM 0 HG13 VAL A 11 21.259 17.027 5.417 1.00 14.23 H new ATOM 0 HG21 VAL A 11 22.161 19.675 4.115 1.00 10.33 H new ATOM 0 HG22 VAL A 11 21.598 18.264 3.187 1.00 10.33 H new ATOM 0 HG23 VAL A 11 20.812 19.845 2.966 1.00 10.33 H new ATOM 170 N ILE A 12 18.072 16.604 5.806 1.00 73.44 N ATOM 171 CA ILE A 12 17.186 16.191 6.887 1.00 42.45 C ATOM 172 C ILE A 12 17.401 17.048 8.130 1.00 62.44 C ATOM 173 O ILE A 12 18.527 17.437 8.443 1.00 63.40 O ATOM 174 CB ILE A 12 17.397 14.711 7.255 1.00 44.13 C ATOM 175 CG1 ILE A 12 17.024 13.811 6.075 1.00 64.31 C ATOM 176 CG2 ILE A 12 16.577 14.350 8.485 1.00 74.54 C ATOM 177 CD1 ILE A 12 15.538 13.772 5.792 1.00 61.21 C ATOM 0 H ILE A 12 18.669 15.861 5.443 1.00 73.44 H new ATOM 0 HA ILE A 12 16.166 16.325 6.527 1.00 42.45 H new ATOM 0 HB ILE A 12 18.451 14.555 7.486 1.00 44.13 H new ATOM 0 HG12 ILE A 12 17.547 14.159 5.184 1.00 64.31 H new ATOM 0 HG13 ILE A 12 17.374 12.799 6.275 1.00 64.31 H new ATOM 0 HG21 ILE A 12 16.736 13.301 8.733 1.00 74.54 H new ATOM 0 HG22 ILE A 12 16.887 14.973 9.324 1.00 74.54 H new ATOM 0 HG23 ILE A 12 15.520 14.518 8.280 1.00 74.54 H new ATOM 0 HD11 ILE A 12 15.346 13.115 4.944 1.00 61.21 H new ATOM 0 HD12 ILE A 12 15.010 13.396 6.669 1.00 61.21 H new ATOM 0 HD13 ILE A 12 15.185 14.777 5.560 1.00 61.21 H new ATOM 189 N VAL A 13 16.314 17.337 8.838 1.00 5.34 N ATOM 190 CA VAL A 13 16.383 18.146 10.050 1.00 10.33 C ATOM 191 C VAL A 13 15.940 17.347 11.270 1.00 54.52 C ATOM 192 O VAL A 13 16.502 17.491 12.355 1.00 62.20 O ATOM 193 CB VAL A 13 15.508 19.408 9.933 1.00 3.52 C ATOM 194 CG1 VAL A 13 15.960 20.466 10.928 1.00 1.40 C ATOM 195 CG2 VAL A 13 15.545 19.952 8.512 1.00 2.01 C ATOM 0 H VAL A 13 15.375 17.023 8.594 1.00 5.34 H new ATOM 0 HA VAL A 13 17.424 18.444 10.172 1.00 10.33 H new ATOM 0 HB VAL A 13 14.479 19.138 10.168 1.00 3.52 H new ATOM 0 HG11 VAL A 13 15.330 21.350 10.830 1.00 1.40 H new ATOM 0 HG12 VAL A 13 15.878 20.072 11.941 1.00 1.40 H new ATOM 0 HG13 VAL A 13 16.997 20.735 10.727 1.00 1.40 H new ATOM 0 HG21 VAL A 13 14.921 20.844 8.447 1.00 2.01 H new ATOM 0 HG22 VAL A 13 16.571 20.207 8.247 1.00 2.01 H new ATOM 0 HG23 VAL A 13 15.169 19.196 7.823 1.00 2.01 H new ATOM 205 N ASN A 14 14.932 16.501 11.084 1.00 4.13 N ATOM 206 CA ASN A 14 14.414 15.678 12.170 1.00 13.52 C ATOM 207 C ASN A 14 13.461 14.612 11.638 1.00 34.43 C ATOM 208 O ASN A 14 13.148 14.582 10.447 1.00 12.00 O ATOM 209 CB ASN A 14 13.697 16.550 13.202 1.00 72.01 C ATOM 210 CG ASN A 14 13.712 15.936 14.589 1.00 2.42 C ATOM 211 OD1 ASN A 14 14.500 15.032 14.870 1.00 65.40 O ATOM 212 ND2 ASN A 14 12.841 16.427 15.462 1.00 22.10 N ATOM 0 H ASN A 14 14.458 16.368 10.191 1.00 4.13 H new ATOM 0 HA ASN A 14 15.257 15.180 12.649 1.00 13.52 H new ATOM 0 HB2 ASN A 14 14.171 17.531 13.237 1.00 72.01 H new ATOM 0 HB3 ASN A 14 12.665 16.706 12.888 1.00 72.01 H new ATOM 0 HD21 ASN A 14 12.805 16.055 16.411 1.00 22.10 H new ATOM 0 HD22 ASN A 14 12.207 17.176 15.184 1.00 22.10 H new ATOM 219 N LYS A 15 13.003 13.739 12.527 1.00 70.02 N ATOM 220 CA LYS A 15 12.084 12.672 12.150 1.00 62.11 C ATOM 221 C LYS A 15 11.037 12.446 13.235 1.00 64.41 C ATOM 222 O LYS A 15 11.299 11.778 14.237 1.00 13.15 O ATOM 223 CB LYS A 15 12.854 11.374 11.892 1.00 24.23 C ATOM 224 CG LYS A 15 14.269 11.598 11.388 1.00 35.14 C ATOM 225 CD LYS A 15 14.985 10.282 11.133 1.00 63.41 C ATOM 226 CE LYS A 15 15.053 9.432 12.393 1.00 14.03 C ATOM 227 NZ LYS A 15 16.369 8.749 12.530 1.00 72.31 N ATOM 0 H LYS A 15 13.253 13.749 13.516 1.00 70.02 H new ATOM 0 HA LYS A 15 11.574 12.973 11.235 1.00 62.11 H new ATOM 0 HB2 LYS A 15 12.893 10.795 12.815 1.00 24.23 H new ATOM 0 HB3 LYS A 15 12.308 10.776 11.163 1.00 24.23 H new ATOM 0 HG2 LYS A 15 14.240 12.182 10.468 1.00 35.14 H new ATOM 0 HG3 LYS A 15 14.828 12.182 12.119 1.00 35.14 H new ATOM 0 HD2 LYS A 15 14.467 9.731 10.348 1.00 63.41 H new ATOM 0 HD3 LYS A 15 15.994 10.480 10.771 1.00 63.41 H new ATOM 0 HE2 LYS A 15 14.878 10.061 13.266 1.00 14.03 H new ATOM 0 HE3 LYS A 15 14.258 8.687 12.372 1.00 14.03 H new ATOM 0 HZ1 LYS A 15 16.376 8.180 13.400 1.00 72.31 H new ATOM 0 HZ2 LYS A 15 16.525 8.129 11.710 1.00 72.31 H new ATOM 0 HZ3 LYS A 15 17.126 9.460 12.576 1.00 72.31 H new ATOM 241 N LEU A 16 9.849 13.005 13.031 1.00 45.03 N ATOM 242 CA LEU A 16 8.761 12.863 13.992 1.00 3.21 C ATOM 243 C LEU A 16 7.874 11.673 13.640 1.00 12.24 C ATOM 244 O LEU A 16 6.679 11.829 13.390 1.00 34.30 O ATOM 245 CB LEU A 16 7.923 14.142 14.036 1.00 63.52 C ATOM 246 CG LEU A 16 8.679 15.449 13.791 1.00 30.41 C ATOM 247 CD1 LEU A 16 7.726 16.634 13.839 1.00 32.11 C ATOM 248 CD2 LEU A 16 9.795 15.618 14.810 1.00 54.14 C ATOM 0 H LEU A 16 9.615 13.561 12.208 1.00 45.03 H new ATOM 0 HA LEU A 16 9.199 12.688 14.975 1.00 3.21 H new ATOM 0 HB2 LEU A 16 7.131 14.059 13.292 1.00 63.52 H new ATOM 0 HB3 LEU A 16 7.440 14.202 15.011 1.00 63.52 H new ATOM 0 HG LEU A 16 9.125 15.408 12.797 1.00 30.41 H new ATOM 0 HD11 LEU A 16 8.282 17.555 13.663 1.00 32.11 H new ATOM 0 HD12 LEU A 16 6.962 16.518 13.070 1.00 32.11 H new ATOM 0 HD13 LEU A 16 7.251 16.679 14.819 1.00 32.11 H new ATOM 0 HD21 LEU A 16 10.322 16.553 14.621 1.00 54.14 H new ATOM 0 HD22 LEU A 16 9.371 15.637 15.814 1.00 54.14 H new ATOM 0 HD23 LEU A 16 10.493 14.785 14.727 1.00 54.14 H new ATOM 260 N PHE A 17 8.468 10.485 13.624 1.00 74.43 N ATOM 261 CA PHE A 17 7.732 9.267 13.304 1.00 73.00 C ATOM 262 C PHE A 17 8.331 8.063 14.028 1.00 23.53 C ATOM 263 O PHE A 17 9.465 8.111 14.503 1.00 32.14 O ATOM 264 CB PHE A 17 7.740 9.023 11.794 1.00 4.04 C ATOM 265 CG PHE A 17 8.879 8.160 11.332 1.00 53.20 C ATOM 266 CD1 PHE A 17 10.105 8.722 11.012 1.00 33.12 C ATOM 267 CD2 PHE A 17 8.725 6.788 11.218 1.00 31.24 C ATOM 268 CE1 PHE A 17 11.155 7.930 10.585 1.00 41.32 C ATOM 269 CE2 PHE A 17 9.772 5.991 10.792 1.00 22.52 C ATOM 270 CZ PHE A 17 10.988 6.563 10.477 1.00 33.13 C ATOM 0 H PHE A 17 9.457 10.339 13.829 1.00 74.43 H new ATOM 0 HA PHE A 17 6.703 9.396 13.639 1.00 73.00 H new ATOM 0 HB2 PHE A 17 6.799 8.555 11.505 1.00 4.04 H new ATOM 0 HB3 PHE A 17 7.790 9.983 11.279 1.00 4.04 H new ATOM 0 HD1 PHE A 17 10.242 9.790 11.097 1.00 33.12 H new ATOM 0 HD2 PHE A 17 7.776 6.335 11.465 1.00 31.24 H new ATOM 0 HE1 PHE A 17 12.105 8.380 10.336 1.00 41.32 H new ATOM 0 HE2 PHE A 17 9.638 4.923 10.706 1.00 22.52 H new ATOM 0 HZ PHE A 17 11.808 5.943 10.146 1.00 33.13 H new ATOM 280 N LYS A 18 7.558 6.985 14.109 1.00 45.52 N ATOM 281 CA LYS A 18 8.009 5.769 14.773 1.00 71.31 C ATOM 282 C LYS A 18 7.822 4.554 13.870 1.00 64.00 C ATOM 283 O LYS A 18 7.094 4.613 12.878 1.00 54.14 O ATOM 284 CB LYS A 18 7.245 5.566 16.084 1.00 73.30 C ATOM 285 CG LYS A 18 7.615 6.565 17.165 1.00 51.43 C ATOM 286 CD LYS A 18 6.929 7.903 16.947 1.00 64.03 C ATOM 287 CE LYS A 18 6.433 8.495 18.258 1.00 10.51 C ATOM 288 NZ LYS A 18 5.019 8.122 18.536 1.00 31.15 N ATOM 0 H LYS A 18 6.616 6.929 13.723 1.00 45.52 H new ATOM 0 HA LYS A 18 9.071 5.877 14.991 1.00 71.31 H new ATOM 0 HB2 LYS A 18 6.175 5.637 15.886 1.00 73.30 H new ATOM 0 HB3 LYS A 18 7.434 4.558 16.453 1.00 73.30 H new ATOM 0 HG2 LYS A 18 7.336 6.167 18.140 1.00 51.43 H new ATOM 0 HG3 LYS A 18 8.696 6.707 17.176 1.00 51.43 H new ATOM 0 HD2 LYS A 18 7.624 8.596 16.473 1.00 64.03 H new ATOM 0 HD3 LYS A 18 6.090 7.776 16.263 1.00 64.03 H new ATOM 0 HE2 LYS A 18 7.067 8.150 19.075 1.00 10.51 H new ATOM 0 HE3 LYS A 18 6.522 9.581 18.223 1.00 10.51 H new ATOM 0 HZ1 LYS A 18 4.854 8.126 19.563 1.00 31.15 H new ATOM 0 HZ2 LYS A 18 4.383 8.808 18.081 1.00 31.15 H new ATOM 0 HZ3 LYS A 18 4.830 7.171 18.159 1.00 31.15 H new ATOM 302 N ALA A 19 8.481 3.454 14.219 1.00 45.04 N ATOM 303 CA ALA A 19 8.384 2.225 13.443 1.00 10.33 C ATOM 304 C ALA A 19 7.219 1.364 13.920 1.00 24.45 C ATOM 305 O ALA A 19 7.163 0.968 15.083 1.00 34.55 O ATOM 306 CB ALA A 19 9.687 1.445 13.524 1.00 40.02 C ATOM 0 H ALA A 19 9.089 3.390 15.036 1.00 45.04 H new ATOM 0 HA ALA A 19 8.199 2.495 12.403 1.00 10.33 H new ATOM 0 HB1 ALA A 19 9.600 0.529 12.939 1.00 40.02 H new ATOM 0 HB2 ALA A 19 10.500 2.053 13.127 1.00 40.02 H new ATOM 0 HB3 ALA A 19 9.896 1.193 14.564 1.00 40.02 H new ATOM 312 N GLY A 20 6.289 1.080 13.013 1.00 23.41 N ATOM 313 CA GLY A 20 5.137 0.269 13.360 1.00 51.13 C ATOM 314 C GLY A 20 4.093 1.048 14.136 1.00 74.35 C ATOM 315 O GLY A 20 3.288 0.465 14.863 1.00 62.42 O ATOM 0 H GLY A 20 6.313 1.397 12.044 1.00 23.41 H new ATOM 0 HA2 GLY A 20 4.688 -0.127 12.449 1.00 51.13 H new ATOM 0 HA3 GLY A 20 5.463 -0.586 13.953 1.00 51.13 H new ATOM 319 N ASP A 21 4.106 2.367 13.983 1.00 33.12 N ATOM 320 CA ASP A 21 3.153 3.227 14.675 1.00 12.31 C ATOM 321 C ASP A 21 1.987 3.590 13.763 1.00 3.25 C ATOM 322 O ASP A 21 1.939 3.178 12.604 1.00 22.24 O ATOM 323 CB ASP A 21 3.846 4.498 15.170 1.00 71.51 C ATOM 324 CG ASP A 21 3.419 4.880 16.574 1.00 14.42 C ATOM 325 OD1 ASP A 21 2.208 4.803 16.868 1.00 1.44 O ATOM 326 OD2 ASP A 21 4.298 5.257 17.377 1.00 63.22 O ATOM 0 H ASP A 21 4.766 2.865 13.386 1.00 33.12 H new ATOM 0 HA ASP A 21 2.762 2.679 15.532 1.00 12.31 H new ATOM 0 HB2 ASP A 21 4.926 4.351 15.149 1.00 71.51 H new ATOM 0 HB3 ASP A 21 3.622 5.319 14.489 1.00 71.51 H new ATOM 331 N LYS A 22 1.047 4.366 14.293 1.00 1.23 N ATOM 332 CA LYS A 22 -0.120 4.787 13.526 1.00 72.34 C ATOM 333 C LYS A 22 0.041 6.221 13.032 1.00 42.24 C ATOM 334 O LYS A 22 0.256 7.140 13.823 1.00 2.52 O ATOM 335 CB LYS A 22 -1.386 4.670 14.380 1.00 12.30 C ATOM 336 CG LYS A 22 -1.677 3.254 14.844 1.00 53.13 C ATOM 337 CD LYS A 22 -2.387 3.241 16.187 1.00 3.03 C ATOM 338 CE LYS A 22 -1.643 2.390 17.204 1.00 21.21 C ATOM 339 NZ LYS A 22 -2.475 2.105 18.405 1.00 25.22 N ATOM 0 H LYS A 22 1.071 4.716 15.251 1.00 1.23 H new ATOM 0 HA LYS A 22 -0.210 4.131 12.660 1.00 72.34 H new ATOM 0 HB2 LYS A 22 -1.287 5.316 15.252 1.00 12.30 H new ATOM 0 HB3 LYS A 22 -2.237 5.037 13.806 1.00 12.30 H new ATOM 0 HG2 LYS A 22 -2.292 2.746 14.101 1.00 53.13 H new ATOM 0 HG3 LYS A 22 -0.744 2.696 14.920 1.00 53.13 H new ATOM 0 HD2 LYS A 22 -2.478 4.261 16.561 1.00 3.03 H new ATOM 0 HD3 LYS A 22 -3.399 2.857 16.061 1.00 3.03 H new ATOM 0 HE2 LYS A 22 -1.342 1.451 16.740 1.00 21.21 H new ATOM 0 HE3 LYS A 22 -0.730 2.903 17.508 1.00 21.21 H new ATOM 0 HZ1 LYS A 22 -1.931 1.523 19.074 1.00 25.22 H new ATOM 0 HZ2 LYS A 22 -2.742 3.000 18.863 1.00 25.22 H new ATOM 0 HZ3 LYS A 22 -3.334 1.593 18.119 1.00 25.22 H new ATOM 353 N VAL A 23 -0.064 6.406 11.720 1.00 71.52 N ATOM 354 CA VAL A 23 0.068 7.727 11.120 1.00 45.52 C ATOM 355 C VAL A 23 -1.294 8.293 10.732 1.00 52.30 C ATOM 356 O VAL A 23 -2.280 7.562 10.646 1.00 3.23 O ATOM 357 CB VAL A 23 0.972 7.692 9.874 1.00 40.20 C ATOM 358 CG1 VAL A 23 0.149 7.413 8.626 1.00 72.53 C ATOM 359 CG2 VAL A 23 1.739 8.998 9.736 1.00 12.14 C ATOM 0 H VAL A 23 -0.240 5.656 11.052 1.00 71.52 H new ATOM 0 HA VAL A 23 0.525 8.371 11.871 1.00 45.52 H new ATOM 0 HB VAL A 23 1.694 6.884 9.992 1.00 40.20 H new ATOM 0 HG11 VAL A 23 0.804 7.392 7.755 1.00 72.53 H new ATOM 0 HG12 VAL A 23 -0.351 6.450 8.728 1.00 72.53 H new ATOM 0 HG13 VAL A 23 -0.597 8.197 8.499 1.00 72.53 H new ATOM 0 HG21 VAL A 23 2.373 8.956 8.850 1.00 12.14 H new ATOM 0 HG22 VAL A 23 1.035 9.825 9.640 1.00 12.14 H new ATOM 0 HG23 VAL A 23 2.359 9.151 10.619 1.00 12.14 H new ATOM 369 N LYS A 24 -1.340 9.600 10.497 1.00 32.55 N ATOM 370 CA LYS A 24 -2.580 10.266 10.114 1.00 53.30 C ATOM 371 C LYS A 24 -2.412 11.010 8.793 1.00 63.12 C ATOM 372 O LYS A 24 -1.314 11.447 8.449 1.00 22.10 O ATOM 373 CB LYS A 24 -3.018 11.241 11.210 1.00 12.31 C ATOM 374 CG LYS A 24 -4.412 11.805 10.999 1.00 22.51 C ATOM 375 CD LYS A 24 -5.468 10.951 11.680 1.00 44.12 C ATOM 376 CE LYS A 24 -5.763 9.689 10.884 1.00 0.21 C ATOM 377 NZ LYS A 24 -7.138 9.178 11.143 1.00 11.04 N ATOM 0 H LYS A 24 -0.533 10.220 10.565 1.00 32.55 H new ATOM 0 HA LYS A 24 -3.349 9.504 9.986 1.00 53.30 H new ATOM 0 HB2 LYS A 24 -2.983 10.732 12.173 1.00 12.31 H new ATOM 0 HB3 LYS A 24 -2.305 12.064 11.259 1.00 12.31 H new ATOM 0 HG2 LYS A 24 -4.457 12.821 11.390 1.00 22.51 H new ATOM 0 HG3 LYS A 24 -4.624 11.864 9.931 1.00 22.51 H new ATOM 0 HD2 LYS A 24 -5.129 10.681 12.680 1.00 44.12 H new ATOM 0 HD3 LYS A 24 -6.384 11.530 11.799 1.00 44.12 H new ATOM 0 HE2 LYS A 24 -5.647 9.895 9.820 1.00 0.21 H new ATOM 0 HE3 LYS A 24 -5.035 8.919 11.141 1.00 0.21 H new ATOM 0 HZ1 LYS A 24 -7.300 8.317 10.582 1.00 11.04 H new ATOM 0 HZ2 LYS A 24 -7.241 8.957 12.154 1.00 11.04 H new ATOM 0 HZ3 LYS A 24 -7.834 9.903 10.874 1.00 11.04 H new ATOM 391 N LYS A 25 -3.510 11.153 8.057 1.00 43.41 N ATOM 392 CA LYS A 25 -3.486 11.847 6.775 1.00 45.32 C ATOM 393 C LYS A 25 -2.939 13.263 6.933 1.00 32.33 C ATOM 394 O LYS A 25 -3.679 14.193 7.250 1.00 4.11 O ATOM 395 CB LYS A 25 -4.892 11.897 6.173 1.00 52.01 C ATOM 396 CG LYS A 25 -5.680 10.613 6.363 1.00 33.12 C ATOM 397 CD LYS A 25 -6.564 10.318 5.162 1.00 53.31 C ATOM 398 CE LYS A 25 -5.795 9.594 4.068 1.00 73.33 C ATOM 399 NZ LYS A 25 -6.656 9.292 2.891 1.00 62.22 N ATOM 0 H LYS A 25 -4.427 10.797 8.327 1.00 43.41 H new ATOM 0 HA LYS A 25 -2.829 11.295 6.103 1.00 45.32 H new ATOM 0 HB2 LYS A 25 -5.443 12.722 6.625 1.00 52.01 H new ATOM 0 HB3 LYS A 25 -4.815 12.112 5.107 1.00 52.01 H new ATOM 0 HG2 LYS A 25 -4.992 9.783 6.522 1.00 33.12 H new ATOM 0 HG3 LYS A 25 -6.296 10.692 7.259 1.00 33.12 H new ATOM 0 HD2 LYS A 25 -7.413 9.710 5.475 1.00 53.31 H new ATOM 0 HD3 LYS A 25 -6.968 11.251 4.768 1.00 53.31 H new ATOM 0 HE2 LYS A 25 -4.950 10.206 3.752 1.00 73.33 H new ATOM 0 HE3 LYS A 25 -5.385 8.666 4.466 1.00 73.33 H new ATOM 0 HZ1 LYS A 25 -6.095 8.798 2.168 1.00 62.22 H new ATOM 0 HZ2 LYS A 25 -7.449 8.687 3.187 1.00 62.22 H new ATOM 0 HZ3 LYS A 25 -7.027 10.179 2.495 1.00 62.22 H new ATOM 413 N GLY A 26 -1.638 13.418 6.708 1.00 11.50 N ATOM 414 CA GLY A 26 -1.015 14.724 6.829 1.00 34.24 C ATOM 415 C GLY A 26 -0.209 14.865 8.105 1.00 43.15 C ATOM 416 O GLY A 26 0.140 15.975 8.504 1.00 45.22 O ATOM 0 H GLY A 26 -1.004 12.663 6.444 1.00 11.50 H new ATOM 0 HA2 GLY A 26 -0.364 14.894 5.971 1.00 34.24 H new ATOM 0 HA3 GLY A 26 -1.785 15.495 6.802 1.00 34.24 H new ATOM 420 N GLN A 27 0.084 13.739 8.746 1.00 43.24 N ATOM 421 CA GLN A 27 0.851 13.744 9.986 1.00 53.45 C ATOM 422 C GLN A 27 2.340 13.921 9.705 1.00 33.42 C ATOM 423 O GLN A 27 2.848 13.463 8.681 1.00 53.44 O ATOM 424 CB GLN A 27 0.617 12.446 10.761 1.00 51.21 C ATOM 425 CG GLN A 27 1.077 12.510 12.209 1.00 14.35 C ATOM 426 CD GLN A 27 1.813 11.258 12.643 1.00 54.11 C ATOM 427 OE1 GLN A 27 3.017 11.123 12.423 1.00 2.20 O ATOM 428 NE2 GLN A 27 1.092 10.332 13.264 1.00 32.04 N ATOM 0 H GLN A 27 -0.198 12.812 8.428 1.00 43.24 H new ATOM 0 HA GLN A 27 0.511 14.586 10.590 1.00 53.45 H new ATOM 0 HB2 GLN A 27 -0.446 12.205 10.736 1.00 51.21 H new ATOM 0 HB3 GLN A 27 1.140 11.633 10.258 1.00 51.21 H new ATOM 0 HG2 GLN A 27 1.728 13.374 12.342 1.00 14.35 H new ATOM 0 HG3 GLN A 27 0.212 12.661 12.855 1.00 14.35 H new ATOM 0 HE21 GLN A 27 0.097 10.484 13.426 1.00 32.04 H new ATOM 0 HE22 GLN A 27 1.534 9.468 13.579 1.00 32.04 H new ATOM 437 N THR A 28 3.035 14.589 10.620 1.00 41.11 N ATOM 438 CA THR A 28 4.465 14.829 10.470 1.00 12.02 C ATOM 439 C THR A 28 5.265 13.558 10.731 1.00 43.21 C ATOM 440 O THR A 28 4.977 12.811 11.667 1.00 22.22 O ATOM 441 CB THR A 28 4.953 15.935 11.423 1.00 62.05 C ATOM 442 OG1 THR A 28 3.893 16.863 11.680 1.00 43.34 O ATOM 443 CG2 THR A 28 6.147 16.670 10.834 1.00 43.02 C ATOM 0 H THR A 28 2.630 14.974 11.474 1.00 41.11 H new ATOM 0 HA THR A 28 4.625 15.151 9.441 1.00 12.02 H new ATOM 0 HB THR A 28 5.261 15.468 12.359 1.00 62.05 H new ATOM 0 HG1 THR A 28 4.211 17.562 12.288 1.00 43.34 H new ATOM 0 HG21 THR A 28 6.474 17.447 11.526 1.00 43.02 H new ATOM 0 HG22 THR A 28 6.962 15.966 10.668 1.00 43.02 H new ATOM 0 HG23 THR A 28 5.862 17.125 9.885 1.00 43.02 H new ATOM 451 N LEU A 29 6.272 13.317 9.899 1.00 45.52 N ATOM 452 CA LEU A 29 7.117 12.136 10.041 1.00 71.51 C ATOM 453 C LEU A 29 8.586 12.489 9.834 1.00 40.13 C ATOM 454 O LEU A 29 9.457 12.015 10.564 1.00 5.42 O ATOM 455 CB LEU A 29 6.693 11.060 9.040 1.00 71.45 C ATOM 456 CG LEU A 29 5.191 10.938 8.780 1.00 63.41 C ATOM 457 CD1 LEU A 29 4.926 10.018 7.599 1.00 42.33 C ATOM 458 CD2 LEU A 29 4.473 10.433 10.023 1.00 40.54 C ATOM 0 H LEU A 29 6.524 13.924 9.119 1.00 45.52 H new ATOM 0 HA LEU A 29 6.995 11.751 11.053 1.00 71.51 H new ATOM 0 HB2 LEU A 29 7.190 11.259 8.091 1.00 71.45 H new ATOM 0 HB3 LEU A 29 7.059 10.097 9.396 1.00 71.45 H new ATOM 0 HG LEU A 29 4.803 11.927 8.538 1.00 63.41 H new ATOM 0 HD11 LEU A 29 3.852 9.944 7.430 1.00 42.33 H new ATOM 0 HD12 LEU A 29 5.407 10.422 6.708 1.00 42.33 H new ATOM 0 HD13 LEU A 29 5.329 9.028 7.812 1.00 42.33 H new ATOM 0 HD21 LEU A 29 3.405 10.353 9.819 1.00 40.54 H new ATOM 0 HD22 LEU A 29 4.865 9.453 10.297 1.00 40.54 H new ATOM 0 HD23 LEU A 29 4.634 11.131 10.845 1.00 40.54 H new ATOM 470 N PHE A 30 8.854 13.324 8.836 1.00 32.41 N ATOM 471 CA PHE A 30 10.219 13.741 8.534 1.00 21.43 C ATOM 472 C PHE A 30 10.295 15.254 8.345 1.00 35.13 C ATOM 473 O PHE A 30 9.272 15.938 8.313 1.00 13.43 O ATOM 474 CB PHE A 30 10.724 13.033 7.275 1.00 74.55 C ATOM 475 CG PHE A 30 11.503 11.781 7.564 1.00 4.35 C ATOM 476 CD1 PHE A 30 12.853 11.845 7.870 1.00 72.43 C ATOM 477 CD2 PHE A 30 10.885 10.541 7.530 1.00 11.05 C ATOM 478 CE1 PHE A 30 13.572 10.695 8.136 1.00 20.24 C ATOM 479 CE2 PHE A 30 11.599 9.388 7.795 1.00 30.03 C ATOM 480 CZ PHE A 30 12.944 9.465 8.099 1.00 70.52 C ATOM 0 H PHE A 30 8.145 13.725 8.223 1.00 32.41 H new ATOM 0 HA PHE A 30 10.852 13.465 9.377 1.00 21.43 H new ATOM 0 HB2 PHE A 30 9.873 12.784 6.642 1.00 74.55 H new ATOM 0 HB3 PHE A 30 11.353 13.720 6.709 1.00 74.55 H new ATOM 0 HD1 PHE A 30 13.349 12.804 7.901 1.00 72.43 H new ATOM 0 HD2 PHE A 30 9.833 10.475 7.294 1.00 11.05 H new ATOM 0 HE1 PHE A 30 14.624 10.758 8.373 1.00 20.24 H new ATOM 0 HE2 PHE A 30 11.106 8.428 7.764 1.00 30.03 H new ATOM 0 HZ PHE A 30 13.504 8.565 8.307 1.00 70.52 H new ATOM 490 N ILE A 31 11.515 15.767 8.222 1.00 21.53 N ATOM 491 CA ILE A 31 11.725 17.197 8.036 1.00 22.12 C ATOM 492 C ILE A 31 13.003 17.467 7.250 1.00 55.23 C ATOM 493 O ILE A 31 14.036 16.842 7.493 1.00 53.31 O ATOM 494 CB ILE A 31 11.800 17.935 9.385 1.00 22.25 C ATOM 495 CG1 ILE A 31 10.531 17.679 10.202 1.00 4.34 C ATOM 496 CG2 ILE A 31 12.001 19.427 9.162 1.00 63.45 C ATOM 497 CD1 ILE A 31 10.488 18.444 11.506 1.00 51.14 C ATOM 0 H ILE A 31 12.372 15.214 8.248 1.00 21.53 H new ATOM 0 HA ILE A 31 10.869 17.571 7.474 1.00 22.12 H new ATOM 0 HB ILE A 31 12.654 17.553 9.945 1.00 22.25 H new ATOM 0 HG12 ILE A 31 9.662 17.950 9.602 1.00 4.34 H new ATOM 0 HG13 ILE A 31 10.453 16.612 10.413 1.00 4.34 H new ATOM 0 HG21 ILE A 31 12.052 19.935 10.125 1.00 63.45 H new ATOM 0 HG22 ILE A 31 12.930 19.591 8.615 1.00 63.45 H new ATOM 0 HG23 ILE A 31 11.166 19.825 8.586 1.00 63.45 H new ATOM 0 HD11 ILE A 31 9.561 18.214 12.032 1.00 51.14 H new ATOM 0 HD12 ILE A 31 11.338 18.156 12.125 1.00 51.14 H new ATOM 0 HD13 ILE A 31 10.534 19.514 11.302 1.00 51.14 H new ATOM 509 N ILE A 32 12.927 18.403 6.309 1.00 54.11 N ATOM 510 CA ILE A 32 14.080 18.757 5.491 1.00 22.35 C ATOM 511 C ILE A 32 14.078 20.245 5.154 1.00 53.43 C ATOM 512 O ILE A 32 13.038 20.817 4.831 1.00 55.42 O ATOM 513 CB ILE A 32 14.111 17.946 4.181 1.00 51.22 C ATOM 514 CG1 ILE A 32 14.457 16.484 4.470 1.00 35.32 C ATOM 515 CG2 ILE A 32 15.112 18.551 3.207 1.00 64.25 C ATOM 516 CD1 ILE A 32 14.131 15.549 3.325 1.00 44.12 C ATOM 0 H ILE A 32 12.080 18.929 6.095 1.00 54.11 H new ATOM 0 HA ILE A 32 14.968 18.520 6.077 1.00 22.35 H new ATOM 0 HB ILE A 32 13.122 17.982 3.724 1.00 51.22 H new ATOM 0 HG12 ILE A 32 15.520 16.409 4.699 1.00 35.32 H new ATOM 0 HG13 ILE A 32 13.916 16.160 5.359 1.00 35.32 H new ATOM 0 HG21 ILE A 32 15.122 17.967 2.287 1.00 64.25 H new ATOM 0 HG22 ILE A 32 14.825 19.578 2.982 1.00 64.25 H new ATOM 0 HG23 ILE A 32 16.106 18.541 3.654 1.00 64.25 H new ATOM 0 HD11 ILE A 32 14.402 14.530 3.599 1.00 44.12 H new ATOM 0 HD12 ILE A 32 13.063 15.595 3.110 1.00 44.12 H new ATOM 0 HD13 ILE A 32 14.692 15.848 2.440 1.00 44.12 H new ATOM 528 N GLU A 33 15.253 20.864 5.231 1.00 25.25 N ATOM 529 CA GLU A 33 15.387 22.285 4.933 1.00 65.43 C ATOM 530 C GLU A 33 15.956 22.497 3.533 1.00 40.42 C ATOM 531 O GLU A 33 16.905 21.825 3.131 1.00 53.53 O ATOM 532 CB GLU A 33 16.285 22.964 5.969 1.00 73.53 C ATOM 533 CG GLU A 33 17.768 22.756 5.717 1.00 72.05 C ATOM 534 CD GLU A 33 18.579 22.731 6.999 1.00 12.53 C ATOM 535 OE1 GLU A 33 18.016 23.060 8.063 1.00 44.13 O ATOM 536 OE2 GLU A 33 19.778 22.385 6.937 1.00 2.04 O ATOM 0 H GLU A 33 16.124 20.404 5.497 1.00 25.25 H new ATOM 0 HA GLU A 33 14.394 22.733 4.974 1.00 65.43 H new ATOM 0 HB2 GLU A 33 16.073 24.033 5.977 1.00 73.53 H new ATOM 0 HB3 GLU A 33 16.036 22.582 6.959 1.00 73.53 H new ATOM 0 HG2 GLU A 33 17.914 21.818 5.181 1.00 72.05 H new ATOM 0 HG3 GLU A 33 18.139 23.553 5.072 1.00 72.05 H new ATOM 543 N GLN A 34 15.368 23.435 2.798 1.00 13.43 N ATOM 544 CA GLN A 34 15.816 23.734 1.442 1.00 42.20 C ATOM 545 C GLN A 34 15.847 25.239 1.200 1.00 23.24 C ATOM 546 O GLN A 34 15.730 26.032 2.134 1.00 63.34 O ATOM 547 CB GLN A 34 14.902 23.059 0.419 1.00 72.14 C ATOM 548 CG GLN A 34 13.533 23.710 0.303 1.00 75.32 C ATOM 549 CD GLN A 34 12.742 23.638 1.594 1.00 41.42 C ATOM 550 OE1 GLN A 34 12.704 22.458 2.202 1.00 10.44 O flip ATOM 551 NE2 GLN A 34 12.170 24.633 2.042 1.00 24.24 N flip ATOM 0 H GLN A 34 14.582 24.001 3.117 1.00 13.43 H new ATOM 0 HA GLN A 34 16.827 23.344 1.326 1.00 42.20 H new ATOM 0 HB2 GLN A 34 15.387 23.077 -0.557 1.00 72.14 H new ATOM 0 HB3 GLN A 34 14.775 22.012 0.693 1.00 72.14 H new ATOM 0 HG2 GLN A 34 13.655 24.754 0.013 1.00 75.32 H new ATOM 0 HG3 GLN A 34 12.969 23.222 -0.492 1.00 75.32 H new ATOM 0 HE21 GLN A 34 12.225 25.521 1.543 1.00 24.24 H new ATOM 0 HE22 GLN A 34 11.642 24.569 2.912 1.00 24.24 H new ATOM 560 N ASP A 35 16.005 25.626 -0.061 1.00 25.24 N ATOM 561 CA ASP A 35 16.050 27.038 -0.428 1.00 75.52 C ATOM 562 C ASP A 35 16.277 27.202 -1.927 1.00 14.34 C ATOM 563 O ASP A 35 15.841 28.185 -2.525 1.00 33.15 O ATOM 564 CB ASP A 35 17.156 27.753 0.349 1.00 3.32 C ATOM 565 CG ASP A 35 16.612 28.598 1.484 1.00 24.31 C ATOM 566 OD1 ASP A 35 15.748 29.460 1.220 1.00 43.35 O ATOM 567 OD2 ASP A 35 17.050 28.397 2.637 1.00 61.50 O ATOM 0 H ASP A 35 16.104 24.983 -0.846 1.00 25.24 H new ATOM 0 HA ASP A 35 15.090 27.486 -0.173 1.00 75.52 H new ATOM 0 HB2 ASP A 35 17.850 27.014 0.750 1.00 3.32 H new ATOM 0 HB3 ASP A 35 17.723 28.387 -0.332 1.00 3.32 H new ATOM 572 N GLN A 36 16.962 26.234 -2.527 1.00 14.34 N ATOM 573 CA GLN A 36 17.249 26.274 -3.956 1.00 22.32 C ATOM 574 C GLN A 36 18.232 27.393 -4.284 1.00 20.33 C ATOM 575 O GLN A 36 18.287 27.872 -5.417 1.00 41.03 O ATOM 576 CB GLN A 36 15.956 26.465 -4.751 1.00 15.41 C ATOM 577 CG GLN A 36 14.799 25.619 -4.244 1.00 2.13 C ATOM 578 CD GLN A 36 15.066 24.132 -4.364 1.00 55.40 C ATOM 579 OE1 GLN A 36 15.892 23.701 -5.170 1.00 53.10 O ATOM 580 NE2 GLN A 36 14.367 23.338 -3.562 1.00 3.12 N ATOM 0 H GLN A 36 17.328 25.413 -2.046 1.00 14.34 H new ATOM 0 HA GLN A 36 17.703 25.324 -4.236 1.00 22.32 H new ATOM 0 HB2 GLN A 36 15.669 27.516 -4.715 1.00 15.41 H new ATOM 0 HB3 GLN A 36 16.143 26.221 -5.797 1.00 15.41 H new ATOM 0 HG2 GLN A 36 14.604 25.866 -3.200 1.00 2.13 H new ATOM 0 HG3 GLN A 36 13.898 25.869 -4.805 1.00 2.13 H new ATOM 0 HE21 GLN A 36 13.693 23.738 -2.909 1.00 3.12 H new ATOM 0 HE22 GLN A 36 14.504 22.328 -3.598 1.00 3.12 H new ATOM 589 N ALA A 37 19.004 27.807 -3.285 1.00 41.03 N ATOM 590 CA ALA A 37 19.986 28.869 -3.467 1.00 0.11 C ATOM 591 C ALA A 37 21.388 28.297 -3.642 1.00 55.34 C ATOM 592 O ALA A 37 22.383 29.000 -3.464 1.00 14.02 O ATOM 593 CB ALA A 37 19.949 29.830 -2.288 1.00 32.23 C ATOM 0 H ALA A 37 18.968 27.423 -2.341 1.00 41.03 H new ATOM 0 HA ALA A 37 19.729 29.415 -4.375 1.00 0.11 H new ATOM 0 HB1 ALA A 37 20.687 30.618 -2.437 1.00 32.23 H new ATOM 0 HB2 ALA A 37 18.956 30.273 -2.211 1.00 32.23 H new ATOM 0 HB3 ALA A 37 20.177 29.288 -1.370 1.00 32.23 H new ATOM 599 N SER A 38 21.461 27.015 -3.988 1.00 73.20 N ATOM 600 CA SER A 38 22.743 26.347 -4.182 1.00 20.51 C ATOM 601 C SER A 38 23.534 26.302 -2.878 1.00 32.33 C ATOM 602 O SER A 38 24.309 27.209 -2.577 1.00 61.05 O ATOM 603 CB SER A 38 23.557 27.062 -5.262 1.00 42.04 C ATOM 604 OG SER A 38 24.429 26.161 -5.923 1.00 3.13 O ATOM 0 H SER A 38 20.648 26.419 -4.140 1.00 73.20 H new ATOM 0 HA SER A 38 22.547 25.324 -4.504 1.00 20.51 H new ATOM 0 HB2 SER A 38 22.883 27.519 -5.987 1.00 42.04 H new ATOM 0 HB3 SER A 38 24.135 27.869 -4.812 1.00 42.04 H new ATOM 0 HG SER A 38 24.937 26.642 -6.610 1.00 3.13 H new ATOM 610 N LYS A 39 23.332 25.238 -2.108 1.00 53.11 N ATOM 611 CA LYS A 39 24.027 25.071 -0.836 1.00 21.34 C ATOM 612 C LYS A 39 25.538 25.148 -1.027 1.00 11.11 C ATOM 613 O LYS A 39 26.274 25.486 -0.101 1.00 61.04 O ATOM 614 CB LYS A 39 23.650 23.732 -0.198 1.00 62.33 C ATOM 615 CG LYS A 39 22.152 23.520 -0.069 1.00 71.31 C ATOM 616 CD LYS A 39 21.453 24.770 0.439 1.00 3.30 C ATOM 617 CE LYS A 39 20.348 24.429 1.428 1.00 55.11 C ATOM 618 NZ LYS A 39 18.995 24.621 0.836 1.00 73.14 N ATOM 0 H LYS A 39 22.693 24.478 -2.342 1.00 53.11 H new ATOM 0 HA LYS A 39 23.721 25.881 -0.174 1.00 21.34 H new ATOM 0 HB2 LYS A 39 24.073 22.923 -0.794 1.00 62.33 H new ATOM 0 HB3 LYS A 39 24.104 23.670 0.791 1.00 62.33 H new ATOM 0 HG2 LYS A 39 21.739 23.239 -1.038 1.00 71.31 H new ATOM 0 HG3 LYS A 39 21.958 22.692 0.612 1.00 71.31 H new ATOM 0 HD2 LYS A 39 22.181 25.426 0.917 1.00 3.30 H new ATOM 0 HD3 LYS A 39 21.032 25.320 -0.403 1.00 3.30 H new ATOM 0 HE2 LYS A 39 20.458 23.395 1.754 1.00 55.11 H new ATOM 0 HE3 LYS A 39 20.449 25.055 2.315 1.00 55.11 H new ATOM 0 HZ1 LYS A 39 18.322 24.881 1.585 1.00 73.14 H new ATOM 0 HZ2 LYS A 39 19.032 25.379 0.125 1.00 73.14 H new ATOM 0 HZ3 LYS A 39 18.685 23.737 0.384 1.00 73.14 H new ATOM 632 N ASP A 40 25.994 24.834 -2.236 1.00 62.32 N ATOM 633 CA ASP A 40 27.417 24.871 -2.548 1.00 35.25 C ATOM 634 C ASP A 40 27.948 26.300 -2.504 1.00 24.22 C ATOM 635 O ASP A 40 29.157 26.525 -2.505 1.00 54.22 O ATOM 636 CB ASP A 40 27.673 24.261 -3.928 1.00 73.01 C ATOM 637 CG ASP A 40 27.824 22.753 -3.875 1.00 12.10 C ATOM 638 OD1 ASP A 40 28.245 22.234 -2.820 1.00 5.42 O ATOM 639 OD2 ASP A 40 27.520 22.091 -4.890 1.00 21.10 O ATOM 0 H ASP A 40 25.398 24.551 -3.014 1.00 62.32 H new ATOM 0 HA ASP A 40 27.944 24.285 -1.795 1.00 35.25 H new ATOM 0 HB2 ASP A 40 26.849 24.518 -4.594 1.00 73.01 H new ATOM 0 HB3 ASP A 40 28.576 24.699 -4.354 1.00 73.01 H new ATOM 644 N PHE A 41 27.033 27.264 -2.467 1.00 71.11 N ATOM 645 CA PHE A 41 27.408 28.673 -2.424 1.00 13.11 C ATOM 646 C PHE A 41 27.213 29.246 -1.024 1.00 61.21 C ATOM 647 O PHE A 41 28.135 29.255 -0.211 1.00 13.31 O ATOM 648 CB PHE A 41 26.584 29.473 -3.435 1.00 31.44 C ATOM 649 CG PHE A 41 26.846 30.951 -3.387 1.00 60.43 C ATOM 650 CD1 PHE A 41 28.123 31.448 -3.587 1.00 61.15 C ATOM 651 CD2 PHE A 41 25.814 31.843 -3.141 1.00 62.11 C ATOM 652 CE1 PHE A 41 28.368 32.808 -3.543 1.00 21.41 C ATOM 653 CE2 PHE A 41 26.053 33.203 -3.097 1.00 64.11 C ATOM 654 CZ PHE A 41 27.331 33.686 -3.296 1.00 53.01 C ATOM 0 H PHE A 41 26.027 27.095 -2.466 1.00 71.11 H new ATOM 0 HA PHE A 41 28.464 28.750 -2.684 1.00 13.11 H new ATOM 0 HB2 PHE A 41 26.800 29.106 -4.439 1.00 31.44 H new ATOM 0 HB3 PHE A 41 25.525 29.294 -3.251 1.00 31.44 H new ATOM 0 HD1 PHE A 41 28.937 30.765 -3.780 1.00 61.15 H new ATOM 0 HD2 PHE A 41 24.813 31.471 -2.982 1.00 62.11 H new ATOM 0 HE1 PHE A 41 29.368 33.183 -3.701 1.00 21.41 H new ATOM 0 HE2 PHE A 41 25.240 33.888 -2.907 1.00 64.11 H new ATOM 0 HZ PHE A 41 27.519 34.749 -3.259 1.00 53.01 H new ATOM 664 N ASN A 42 26.003 29.724 -0.751 1.00 62.42 N ATOM 665 CA ASN A 42 25.685 30.300 0.551 1.00 61.43 C ATOM 666 C ASN A 42 24.251 30.821 0.580 1.00 31.12 C ATOM 667 O ASN A 42 23.824 31.542 -0.321 1.00 2.44 O ATOM 668 CB ASN A 42 26.658 31.434 0.881 1.00 73.53 C ATOM 669 CG ASN A 42 26.934 31.543 2.368 1.00 51.30 C ATOM 670 OD1 ASN A 42 28.070 31.774 2.784 1.00 31.12 O ATOM 671 ND2 ASN A 42 25.894 31.379 3.177 1.00 73.51 N ATOM 0 H ASN A 42 25.227 29.724 -1.413 1.00 62.42 H new ATOM 0 HA ASN A 42 25.783 29.516 1.301 1.00 61.43 H new ATOM 0 HB2 ASN A 42 27.596 31.270 0.351 1.00 73.53 H new ATOM 0 HB3 ASN A 42 26.248 32.377 0.520 1.00 73.53 H new ATOM 0 HD22 ASN A 42 24.970 31.189 2.788 1.00 73.51 H new ATOM 677 N ARG A 43 23.513 30.449 1.621 1.00 31.00 N ATOM 678 CA ARG A 43 22.127 30.878 1.767 1.00 52.12 C ATOM 679 C ARG A 43 21.899 31.525 3.130 1.00 12.30 C ATOM 680 O ARG A 43 21.778 32.745 3.237 1.00 61.01 O ATOM 681 CB ARG A 43 21.182 29.688 1.591 1.00 0.23 C ATOM 682 CG ARG A 43 19.843 30.061 0.977 1.00 61.41 C ATOM 683 CD ARG A 43 18.944 30.764 1.983 1.00 12.11 C ATOM 684 NE ARG A 43 17.754 31.328 1.353 1.00 71.22 N ATOM 685 CZ ARG A 43 17.027 32.300 1.895 1.00 74.21 C ATOM 686 NH1 ARG A 43 17.368 32.811 3.069 1.00 42.30 N ATOM 687 NH2 ARG A 43 15.956 32.761 1.260 1.00 55.32 N ATOM 0 H ARG A 43 23.852 29.852 2.375 1.00 31.00 H new ATOM 0 HA ARG A 43 21.918 31.617 0.994 1.00 52.12 H new ATOM 0 HB2 ARG A 43 21.665 28.941 0.962 1.00 0.23 H new ATOM 0 HB3 ARG A 43 21.010 29.224 2.562 1.00 0.23 H new ATOM 0 HG2 ARG A 43 20.005 30.710 0.116 1.00 61.41 H new ATOM 0 HG3 ARG A 43 19.347 29.162 0.610 1.00 61.41 H new ATOM 0 HD2 ARG A 43 18.644 30.057 2.757 1.00 12.11 H new ATOM 0 HD3 ARG A 43 19.504 31.558 2.476 1.00 12.11 H new ATOM 0 HE ARG A 43 17.465 30.956 0.448 1.00 71.22 H new ATOM 0 HH11 ARG A 43 18.190 32.459 3.559 1.00 42.30 H new ATOM 0 HH12 ARG A 43 16.808 33.557 3.483 1.00 42.30 H new ATOM 0 HH21 ARG A 43 15.691 32.369 0.356 1.00 55.32 H new ATOM 0 HH22 ARG A 43 15.398 33.507 1.676 1.00 55.32 H new ATOM 701 N SER A 44 21.842 30.698 4.169 1.00 64.11 N ATOM 702 CA SER A 44 21.624 31.189 5.526 1.00 20.14 C ATOM 703 C SER A 44 20.560 32.283 5.543 1.00 74.31 C ATOM 704 O SER A 44 19.670 32.313 4.693 1.00 23.01 O ATOM 705 CB SER A 44 22.931 31.724 6.113 1.00 30.12 C ATOM 706 OG SER A 44 22.784 32.029 7.489 1.00 53.31 O ATOM 0 H SER A 44 21.944 29.686 4.098 1.00 64.11 H new ATOM 0 HA SER A 44 21.274 30.356 6.136 1.00 20.14 H new ATOM 0 HB2 SER A 44 23.721 30.985 5.983 1.00 30.12 H new ATOM 0 HB3 SER A 44 23.239 32.618 5.570 1.00 30.12 H new ATOM 0 HG SER A 44 22.686 31.198 7.999 1.00 53.31 H new ATOM 712 N LYS A 45 20.659 33.179 6.518 1.00 1.43 N ATOM 713 CA LYS A 45 19.708 34.277 6.648 1.00 11.32 C ATOM 714 C LYS A 45 19.407 34.901 5.289 1.00 11.50 C ATOM 715 O LYS A 45 18.284 34.817 4.791 1.00 41.54 O ATOM 716 CB LYS A 45 20.255 35.343 7.601 1.00 34.32 C ATOM 717 CG LYS A 45 20.968 34.768 8.812 1.00 55.01 C ATOM 718 CD LYS A 45 20.104 33.749 9.536 1.00 44.30 C ATOM 719 CE LYS A 45 20.719 32.359 9.483 1.00 60.15 C ATOM 720 NZ LYS A 45 20.284 31.516 10.631 1.00 52.21 N ATOM 0 H LYS A 45 21.389 33.167 7.231 1.00 1.43 H new ATOM 0 HA LYS A 45 18.781 33.875 7.056 1.00 11.32 H new ATOM 0 HB2 LYS A 45 20.945 35.987 7.055 1.00 34.32 H new ATOM 0 HB3 LYS A 45 19.432 35.973 7.939 1.00 34.32 H new ATOM 0 HG2 LYS A 45 21.900 34.298 8.498 1.00 55.01 H new ATOM 0 HG3 LYS A 45 21.232 35.574 9.496 1.00 55.01 H new ATOM 0 HD2 LYS A 45 19.976 34.052 10.575 1.00 44.30 H new ATOM 0 HD3 LYS A 45 19.112 33.726 9.086 1.00 44.30 H new ATOM 0 HE2 LYS A 45 20.438 31.873 8.549 1.00 60.15 H new ATOM 0 HE3 LYS A 45 21.806 32.442 9.485 1.00 60.15 H new ATOM 0 HZ1 LYS A 45 20.725 30.577 10.559 1.00 52.21 H new ATOM 0 HZ2 LYS A 45 20.574 31.967 11.522 1.00 52.21 H new ATOM 0 HZ3 LYS A 45 19.249 31.415 10.615 1.00 52.21 H new ATOM 734 N ALA A 46 20.418 35.525 4.693 1.00 35.02 N ATOM 735 CA ALA A 46 20.263 36.159 3.389 1.00 64.34 C ATOM 736 C ALA A 46 21.582 36.749 2.905 1.00 3.42 C ATOM 737 O ALA A 46 21.602 37.772 2.217 1.00 73.15 O ATOM 738 CB ALA A 46 19.191 37.237 3.452 1.00 1.42 C ATOM 0 H ALA A 46 21.353 35.605 5.092 1.00 35.02 H new ATOM 0 HA ALA A 46 19.954 35.396 2.675 1.00 64.34 H new ATOM 0 HB1 ALA A 46 19.085 37.703 2.472 1.00 1.42 H new ATOM 0 HB2 ALA A 46 18.242 36.789 3.746 1.00 1.42 H new ATOM 0 HB3 ALA A 46 19.477 37.993 4.184 1.00 1.42 H new ATOM 744 N LEU A 47 22.683 36.101 3.268 1.00 14.41 N ATOM 745 CA LEU A 47 24.009 36.563 2.871 1.00 0.03 C ATOM 746 C LEU A 47 24.276 37.969 3.397 1.00 3.44 C ATOM 747 O LEU A 47 23.379 38.627 3.924 1.00 21.44 O ATOM 748 CB LEU A 47 24.142 36.542 1.347 1.00 11.04 C ATOM 749 CG LEU A 47 23.877 35.198 0.668 1.00 63.22 C ATOM 750 CD1 LEU A 47 22.483 35.173 0.059 1.00 5.31 C ATOM 751 CD2 LEU A 47 24.930 34.919 -0.394 1.00 74.44 C ATOM 0 H LEU A 47 22.684 35.254 3.837 1.00 14.41 H new ATOM 0 HA LEU A 47 24.747 35.888 3.304 1.00 0.03 H new ATOM 0 HB2 LEU A 47 23.453 37.278 0.932 1.00 11.04 H new ATOM 0 HB3 LEU A 47 25.150 36.866 1.086 1.00 11.04 H new ATOM 0 HG LEU A 47 23.936 34.414 1.423 1.00 63.22 H new ATOM 0 HD11 LEU A 47 22.312 34.209 -0.420 1.00 5.31 H new ATOM 0 HD12 LEU A 47 21.741 35.325 0.843 1.00 5.31 H new ATOM 0 HD13 LEU A 47 22.396 35.967 -0.683 1.00 5.31 H new ATOM 0 HD21 LEU A 47 24.725 33.958 -0.866 1.00 74.44 H new ATOM 0 HD22 LEU A 47 24.905 35.706 -1.147 1.00 74.44 H new ATOM 0 HD23 LEU A 47 25.916 34.892 0.070 1.00 74.44 H new ATOM 763 N PHE A 48 25.515 38.426 3.248 1.00 14.02 N ATOM 764 CA PHE A 48 25.900 39.755 3.706 1.00 2.42 C ATOM 765 C PHE A 48 26.526 40.562 2.572 1.00 23.25 C ATOM 766 O PHE A 48 26.982 40.002 1.575 1.00 45.11 O ATOM 767 CB PHE A 48 26.883 39.650 4.874 1.00 11.51 C ATOM 768 CG PHE A 48 28.208 39.057 4.490 1.00 75.24 C ATOM 769 CD1 PHE A 48 28.339 37.690 4.294 1.00 4.45 C ATOM 770 CD2 PHE A 48 29.323 39.863 4.325 1.00 71.23 C ATOM 771 CE1 PHE A 48 29.558 37.141 3.942 1.00 2.04 C ATOM 772 CE2 PHE A 48 30.544 39.319 3.973 1.00 33.32 C ATOM 773 CZ PHE A 48 30.661 37.957 3.779 1.00 62.42 C ATOM 0 H PHE A 48 26.270 37.895 2.813 1.00 14.02 H new ATOM 0 HA PHE A 48 25.000 40.271 4.042 1.00 2.42 H new ATOM 0 HB2 PHE A 48 27.046 40.643 5.292 1.00 11.51 H new ATOM 0 HB3 PHE A 48 26.436 39.042 5.661 1.00 11.51 H new ATOM 0 HD1 PHE A 48 27.480 37.048 4.418 1.00 4.45 H new ATOM 0 HD2 PHE A 48 29.237 40.929 4.473 1.00 71.23 H new ATOM 0 HE1 PHE A 48 29.648 36.075 3.795 1.00 2.04 H new ATOM 0 HE2 PHE A 48 31.405 39.959 3.850 1.00 33.32 H new ATOM 0 HZ PHE A 48 31.613 37.530 3.500 1.00 62.42 H new ATOM 783 N SER A 49 26.541 41.882 2.731 1.00 42.43 N ATOM 784 CA SER A 49 27.105 42.768 1.719 1.00 62.32 C ATOM 785 C SER A 49 27.009 44.225 2.158 1.00 40.13 C ATOM 786 O SER A 49 26.487 44.528 3.231 1.00 50.43 O ATOM 787 CB SER A 49 26.382 42.577 0.384 1.00 54.25 C ATOM 788 OG SER A 49 27.307 42.439 -0.681 1.00 73.31 O ATOM 0 H SER A 49 26.169 42.361 3.551 1.00 42.43 H new ATOM 0 HA SER A 49 28.157 42.513 1.594 1.00 62.32 H new ATOM 0 HB2 SER A 49 25.746 41.693 0.434 1.00 54.25 H new ATOM 0 HB3 SER A 49 25.729 43.429 0.195 1.00 54.25 H new ATOM 0 HG SER A 49 26.821 42.316 -1.523 1.00 73.31 H new ATOM 794 N GLN A 50 27.518 45.124 1.321 1.00 21.22 N ATOM 795 CA GLN A 50 27.490 46.550 1.622 1.00 51.14 C ATOM 796 C GLN A 50 26.068 47.017 1.918 1.00 12.32 C ATOM 797 O GLN A 50 25.862 47.989 2.645 1.00 34.13 O ATOM 798 CB GLN A 50 28.070 47.351 0.456 1.00 3.11 C ATOM 799 CG GLN A 50 27.296 47.184 -0.841 1.00 54.10 C ATOM 800 CD GLN A 50 27.750 48.148 -1.920 1.00 15.44 C ATOM 801 OE1 GLN A 50 28.484 49.099 -1.651 1.00 61.24 O ATOM 802 NE2 GLN A 50 27.315 47.905 -3.151 1.00 13.33 N ATOM 0 H GLN A 50 27.955 44.890 0.429 1.00 21.22 H new ATOM 0 HA GLN A 50 28.100 46.720 2.509 1.00 51.14 H new ATOM 0 HB2 GLN A 50 28.088 48.407 0.725 1.00 3.11 H new ATOM 0 HB3 GLN A 50 29.104 47.045 0.295 1.00 3.11 H new ATOM 0 HG2 GLN A 50 27.413 46.162 -1.200 1.00 54.10 H new ATOM 0 HG3 GLN A 50 26.234 47.335 -0.648 1.00 54.10 H new ATOM 0 HE21 GLN A 50 26.708 47.105 -3.329 1.00 13.33 H new ATOM 0 HE22 GLN A 50 27.588 48.518 -3.919 1.00 13.33 H new ATOM 811 N SER A 51 25.091 46.318 1.349 1.00 53.24 N ATOM 812 CA SER A 51 23.688 46.663 1.547 1.00 45.24 C ATOM 813 C SER A 51 22.778 45.669 0.834 1.00 71.23 C ATOM 814 O SER A 51 21.905 46.056 0.059 1.00 23.12 O ATOM 815 CB SER A 51 23.413 48.080 1.039 1.00 24.20 C ATOM 816 OG SER A 51 23.881 48.245 -0.289 1.00 65.14 O ATOM 0 H SER A 51 25.245 45.509 0.747 1.00 53.24 H new ATOM 0 HA SER A 51 23.476 46.620 2.615 1.00 45.24 H new ATOM 0 HB2 SER A 51 22.343 48.283 1.079 1.00 24.20 H new ATOM 0 HB3 SER A 51 23.899 48.805 1.692 1.00 24.20 H new ATOM 0 HG SER A 51 23.692 49.158 -0.591 1.00 65.14 H new ATOM 822 N ALA A 52 22.988 44.385 1.104 1.00 13.44 N ATOM 823 CA ALA A 52 22.186 43.334 0.490 1.00 3.10 C ATOM 824 C ALA A 52 20.696 43.606 0.666 1.00 50.31 C ATOM 825 O ALA A 52 19.953 43.702 -0.311 1.00 55.32 O ATOM 826 CB ALA A 52 22.551 41.979 1.079 1.00 3.01 C ATOM 0 H ALA A 52 23.707 44.047 1.744 1.00 13.44 H new ATOM 0 HA ALA A 52 22.402 43.324 -0.578 1.00 3.10 H new ATOM 0 HB1 ALA A 52 21.944 41.204 0.611 1.00 3.01 H new ATOM 0 HB2 ALA A 52 23.606 41.775 0.895 1.00 3.01 H new ATOM 0 HB3 ALA A 52 22.365 41.987 2.153 1.00 3.01 H new ATOM 832 N ILE A 53 20.267 43.730 1.918 1.00 34.44 N ATOM 833 CA ILE A 53 18.866 43.992 2.222 1.00 24.34 C ATOM 834 C ILE A 53 18.721 45.175 3.173 1.00 73.53 C ATOM 835 O ILE A 53 19.353 45.216 4.229 1.00 53.21 O ATOM 836 CB ILE A 53 18.185 42.759 2.846 1.00 32.24 C ATOM 837 CG1 ILE A 53 19.108 42.106 3.876 1.00 34.45 C ATOM 838 CG2 ILE A 53 17.800 41.762 1.762 1.00 53.34 C ATOM 839 CD1 ILE A 53 18.377 41.553 5.079 1.00 34.44 C ATOM 0 H ILE A 53 20.870 43.653 2.737 1.00 34.44 H new ATOM 0 HA ILE A 53 18.377 44.227 1.277 1.00 24.34 H new ATOM 0 HB ILE A 53 17.277 43.082 3.355 1.00 32.24 H new ATOM 0 HG12 ILE A 53 19.662 41.300 3.396 1.00 34.45 H new ATOM 0 HG13 ILE A 53 19.841 42.840 4.212 1.00 34.45 H new ATOM 0 HG21 ILE A 53 17.320 40.896 2.218 1.00 53.34 H new ATOM 0 HG22 ILE A 53 17.109 42.233 1.063 1.00 53.34 H new ATOM 0 HG23 ILE A 53 18.695 41.442 1.228 1.00 53.34 H new ATOM 0 HD11 ILE A 53 19.095 41.105 5.767 1.00 34.44 H new ATOM 0 HD12 ILE A 53 17.845 42.359 5.584 1.00 34.44 H new ATOM 0 HD13 ILE A 53 17.664 40.795 4.755 1.00 34.44 H new ATOM 851 N SER A 54 17.883 46.133 2.793 1.00 43.34 N ATOM 852 CA SER A 54 17.656 47.319 3.612 1.00 71.15 C ATOM 853 C SER A 54 17.299 46.930 5.043 1.00 51.43 C ATOM 854 O SER A 54 16.788 45.838 5.292 1.00 53.31 O ATOM 855 CB SER A 54 16.540 48.174 3.010 1.00 22.43 C ATOM 856 OG SER A 54 17.031 49.440 2.602 1.00 35.32 O ATOM 0 H SER A 54 17.350 46.112 1.924 1.00 43.34 H new ATOM 0 HA SER A 54 18.578 47.900 3.631 1.00 71.15 H new ATOM 0 HB2 SER A 54 16.103 47.658 2.156 1.00 22.43 H new ATOM 0 HB3 SER A 54 15.744 48.308 3.743 1.00 22.43 H new ATOM 0 HG SER A 54 16.299 49.967 2.219 1.00 35.32 H new ATOM 862 N GLN A 55 17.572 47.833 5.981 1.00 34.42 N ATOM 863 CA GLN A 55 17.280 47.584 7.388 1.00 1.24 C ATOM 864 C GLN A 55 15.960 48.232 7.792 1.00 71.31 C ATOM 865 O GLN A 55 15.509 48.090 8.930 1.00 0.43 O ATOM 866 CB GLN A 55 18.413 48.116 8.266 1.00 42.25 C ATOM 867 CG GLN A 55 19.017 47.065 9.184 1.00 0.14 C ATOM 868 CD GLN A 55 20.216 47.581 9.954 1.00 1.13 C ATOM 869 OE1 GLN A 55 21.362 47.331 9.582 1.00 54.55 O ATOM 870 NE2 GLN A 55 19.957 48.309 11.034 1.00 73.33 N ATOM 0 H GLN A 55 17.994 48.742 5.792 1.00 34.42 H new ATOM 0 HA GLN A 55 17.194 46.507 7.531 1.00 1.24 H new ATOM 0 HB2 GLN A 55 19.197 48.522 7.627 1.00 42.25 H new ATOM 0 HB3 GLN A 55 18.036 48.941 8.871 1.00 42.25 H new ATOM 0 HG2 GLN A 55 18.258 46.724 9.888 1.00 0.14 H new ATOM 0 HG3 GLN A 55 19.315 46.200 8.592 1.00 0.14 H new ATOM 0 HE21 GLN A 55 18.991 48.492 11.306 1.00 73.33 H new ATOM 0 HE22 GLN A 55 20.724 48.685 11.591 1.00 73.33 H new ATOM 879 N LYS A 56 15.342 48.942 6.854 1.00 54.24 N ATOM 880 CA LYS A 56 14.073 49.610 7.111 1.00 10.12 C ATOM 881 C LYS A 56 12.899 48.691 6.791 1.00 73.44 C ATOM 882 O LYS A 56 12.698 48.303 5.641 1.00 61.11 O ATOM 883 CB LYS A 56 13.971 50.892 6.281 1.00 64.35 C ATOM 884 CG LYS A 56 15.236 51.732 6.302 1.00 51.10 C ATOM 885 CD LYS A 56 15.121 52.937 5.383 1.00 43.24 C ATOM 886 CE LYS A 56 16.362 53.814 5.455 1.00 60.54 C ATOM 887 NZ LYS A 56 16.091 55.197 4.975 1.00 10.43 N ATOM 0 H LYS A 56 15.701 49.069 5.908 1.00 54.24 H new ATOM 0 HA LYS A 56 14.034 49.865 8.170 1.00 10.12 H new ATOM 0 HB2 LYS A 56 13.736 50.629 5.249 1.00 64.35 H new ATOM 0 HB3 LYS A 56 13.141 51.491 6.654 1.00 64.35 H new ATOM 0 HG2 LYS A 56 15.434 52.067 7.320 1.00 51.10 H new ATOM 0 HG3 LYS A 56 16.085 51.120 5.997 1.00 51.10 H new ATOM 0 HD2 LYS A 56 14.971 52.600 4.357 1.00 43.24 H new ATOM 0 HD3 LYS A 56 14.244 53.523 5.658 1.00 43.24 H new ATOM 0 HE2 LYS A 56 16.722 53.850 6.483 1.00 60.54 H new ATOM 0 HE3 LYS A 56 17.156 53.370 4.855 1.00 60.54 H new ATOM 0 HZ1 LYS A 56 16.961 55.764 5.040 1.00 10.43 H new ATOM 0 HZ2 LYS A 56 15.771 55.165 3.986 1.00 10.43 H new ATOM 0 HZ3 LYS A 56 15.351 55.630 5.564 1.00 10.43 H new ATOM 901 N GLU A 57 12.126 48.347 7.817 1.00 70.21 N ATOM 902 CA GLU A 57 10.972 47.473 7.643 1.00 21.05 C ATOM 903 C GLU A 57 11.397 46.111 7.102 1.00 35.43 C ATOM 904 O GLU A 57 10.581 45.363 6.561 1.00 41.23 O ATOM 905 CB GLU A 57 9.956 48.115 6.696 1.00 63.31 C ATOM 906 CG GLU A 57 9.569 49.531 7.089 1.00 61.42 C ATOM 907 CD GLU A 57 8.116 49.643 7.514 1.00 13.43 C ATOM 908 OE1 GLU A 57 7.653 48.767 8.274 1.00 4.12 O ATOM 909 OE2 GLU A 57 7.445 50.604 7.086 1.00 30.44 O ATOM 0 H GLU A 57 12.278 48.660 8.776 1.00 70.21 H new ATOM 0 HA GLU A 57 10.508 47.329 8.619 1.00 21.05 H new ATOM 0 HB2 GLU A 57 10.369 48.127 5.687 1.00 63.31 H new ATOM 0 HB3 GLU A 57 9.059 47.497 6.666 1.00 63.31 H new ATOM 0 HG2 GLU A 57 10.209 49.865 7.905 1.00 61.42 H new ATOM 0 HG3 GLU A 57 9.750 50.200 6.248 1.00 61.42 H new ATOM 916 N TYR A 58 12.678 45.796 7.251 1.00 55.53 N ATOM 917 CA TYR A 58 13.214 44.526 6.774 1.00 41.14 C ATOM 918 C TYR A 58 13.992 43.815 7.877 1.00 41.32 C ATOM 919 O TYR A 58 14.922 44.376 8.457 1.00 44.42 O ATOM 920 CB TYR A 58 14.117 44.752 5.561 1.00 41.11 C ATOM 921 CG TYR A 58 13.443 44.456 4.241 1.00 12.34 C ATOM 922 CD1 TYR A 58 13.202 43.148 3.839 1.00 23.21 C ATOM 923 CD2 TYR A 58 13.048 45.485 3.394 1.00 2.42 C ATOM 924 CE1 TYR A 58 12.586 42.874 2.633 1.00 14.11 C ATOM 925 CE2 TYR A 58 12.431 45.220 2.187 1.00 54.30 C ATOM 926 CZ TYR A 58 12.203 43.912 1.811 1.00 13.11 C ATOM 927 OH TYR A 58 11.590 43.644 0.609 1.00 60.31 O ATOM 0 H TYR A 58 13.365 46.402 7.698 1.00 55.53 H new ATOM 0 HA TYR A 58 12.376 43.894 6.480 1.00 41.14 H new ATOM 0 HB2 TYR A 58 14.459 45.787 5.561 1.00 41.11 H new ATOM 0 HB3 TYR A 58 15.003 44.124 5.656 1.00 41.11 H new ATOM 0 HD1 TYR A 58 13.501 42.332 4.480 1.00 23.21 H new ATOM 0 HD2 TYR A 58 13.227 46.510 3.685 1.00 2.42 H new ATOM 0 HE1 TYR A 58 12.405 41.852 2.336 1.00 14.11 H new ATOM 0 HE2 TYR A 58 12.129 46.031 1.542 1.00 54.30 H new ATOM 0 HH TYR A 58 11.384 44.486 0.152 1.00 60.31 H new ATOM 937 N ASP A 59 13.606 42.577 8.161 1.00 74.53 N ATOM 938 CA ASP A 59 14.268 41.786 9.192 1.00 60.33 C ATOM 939 C ASP A 59 14.740 40.447 8.633 1.00 1.00 C ATOM 940 O ASP A 59 14.716 40.227 7.422 1.00 13.41 O ATOM 941 CB ASP A 59 13.323 41.554 10.373 1.00 32.24 C ATOM 942 CG ASP A 59 13.924 41.998 11.691 1.00 25.22 C ATOM 943 OD1 ASP A 59 14.765 41.258 12.240 1.00 34.43 O ATOM 944 OD2 ASP A 59 13.551 43.088 12.176 1.00 22.13 O ATOM 0 H ASP A 59 12.837 42.098 7.692 1.00 74.53 H new ATOM 0 HA ASP A 59 15.139 42.343 9.537 1.00 60.33 H new ATOM 0 HB2 ASP A 59 12.392 42.094 10.201 1.00 32.24 H new ATOM 0 HB3 ASP A 59 13.071 40.495 10.430 1.00 32.24 H new ATOM 949 N SER A 60 15.169 39.558 9.522 1.00 54.30 N ATOM 950 CA SER A 60 15.652 38.243 9.116 1.00 51.23 C ATOM 951 C SER A 60 14.525 37.215 9.154 1.00 44.41 C ATOM 952 O SER A 60 14.587 36.185 8.484 1.00 4.30 O ATOM 953 CB SER A 60 16.798 37.794 10.026 1.00 30.22 C ATOM 954 OG SER A 60 17.083 38.774 11.009 1.00 43.21 O ATOM 0 H SER A 60 15.192 39.724 10.528 1.00 54.30 H new ATOM 0 HA SER A 60 16.018 38.318 8.092 1.00 51.23 H new ATOM 0 HB2 SER A 60 16.534 36.854 10.511 1.00 30.22 H new ATOM 0 HB3 SER A 60 17.689 37.605 9.427 1.00 30.22 H new ATOM 0 HG SER A 60 17.817 38.462 11.578 1.00 43.21 H new ATOM 960 N SER A 61 13.496 37.504 9.943 1.00 61.31 N ATOM 961 CA SER A 61 12.355 36.604 10.073 1.00 3.33 C ATOM 962 C SER A 61 11.803 36.227 8.702 1.00 34.32 C ATOM 963 O SER A 61 11.331 35.108 8.496 1.00 3.43 O ATOM 964 CB SER A 61 11.258 37.256 10.916 1.00 21.45 C ATOM 965 OG SER A 61 10.257 37.831 10.093 1.00 61.41 O ATOM 0 H SER A 61 13.428 38.354 10.502 1.00 61.31 H new ATOM 0 HA SER A 61 12.694 35.696 10.571 1.00 3.33 H new ATOM 0 HB2 SER A 61 10.809 36.511 11.574 1.00 21.45 H new ATOM 0 HB3 SER A 61 11.694 38.024 11.555 1.00 21.45 H new ATOM 0 HG SER A 61 9.566 38.240 10.655 1.00 61.41 H new ATOM 971 N LEU A 62 11.866 37.168 7.766 1.00 62.14 N ATOM 972 CA LEU A 62 11.372 36.936 6.413 1.00 13.53 C ATOM 973 C LEU A 62 12.445 36.284 5.546 1.00 55.34 C ATOM 974 O LEU A 62 12.140 35.490 4.658 1.00 74.14 O ATOM 975 CB LEU A 62 10.922 38.254 5.780 1.00 60.12 C ATOM 976 CG LEU A 62 12.012 39.307 5.576 1.00 5.14 C ATOM 977 CD1 LEU A 62 12.396 39.400 4.107 1.00 62.03 C ATOM 978 CD2 LEU A 62 11.548 40.661 6.095 1.00 11.42 C ATOM 0 H LEU A 62 12.254 38.099 7.919 1.00 62.14 H new ATOM 0 HA LEU A 62 10.520 36.260 6.475 1.00 13.53 H new ATOM 0 HB2 LEU A 62 10.472 38.034 4.812 1.00 60.12 H new ATOM 0 HB3 LEU A 62 10.140 38.686 6.405 1.00 60.12 H new ATOM 0 HG LEU A 62 12.893 39.005 6.142 1.00 5.14 H new ATOM 0 HD11 LEU A 62 13.173 40.154 3.981 1.00 62.03 H new ATOM 0 HD12 LEU A 62 12.769 38.434 3.767 1.00 62.03 H new ATOM 0 HD13 LEU A 62 11.521 39.678 3.519 1.00 62.03 H new ATOM 0 HD21 LEU A 62 12.336 41.399 5.942 1.00 11.42 H new ATOM 0 HD22 LEU A 62 10.652 40.970 5.556 1.00 11.42 H new ATOM 0 HD23 LEU A 62 11.323 40.585 7.159 1.00 11.42 H new ATOM 990 N ALA A 63 13.702 36.624 5.814 1.00 74.52 N ATOM 991 CA ALA A 63 14.820 36.067 5.062 1.00 41.20 C ATOM 992 C ALA A 63 15.615 35.081 5.909 1.00 74.23 C ATOM 993 O ALA A 63 16.516 35.469 6.654 1.00 23.23 O ATOM 994 CB ALA A 63 15.724 37.183 4.559 1.00 55.30 C ATOM 0 H ALA A 63 13.971 37.282 6.546 1.00 74.52 H new ATOM 0 HA ALA A 63 14.417 35.526 4.206 1.00 41.20 H new ATOM 0 HB1 ALA A 63 16.555 36.754 3.999 1.00 55.30 H new ATOM 0 HB2 ALA A 63 15.154 37.848 3.910 1.00 55.30 H new ATOM 0 HB3 ALA A 63 16.111 37.748 5.407 1.00 55.30 H new ATOM 1000 N THR A 64 15.276 33.800 5.793 1.00 62.33 N ATOM 1001 CA THR A 64 15.957 32.757 6.550 1.00 24.02 C ATOM 1002 C THR A 64 15.918 31.425 5.809 1.00 22.20 C ATOM 1003 O THR A 64 15.551 31.367 4.634 1.00 5.33 O ATOM 1004 CB THR A 64 15.328 32.574 7.944 1.00 21.13 C ATOM 1005 OG1 THR A 64 14.378 33.615 8.194 1.00 22.43 O ATOM 1006 CG2 THR A 64 16.398 32.587 9.026 1.00 41.01 C ATOM 0 H THR A 64 14.534 33.460 5.182 1.00 62.33 H new ATOM 0 HA THR A 64 16.993 33.075 6.665 1.00 24.02 H new ATOM 0 HB THR A 64 14.822 31.609 7.966 1.00 21.13 H new ATOM 0 HG1 THR A 64 14.852 34.451 8.384 1.00 22.43 H new ATOM 0 HG21 THR A 64 15.930 32.456 10.002 1.00 41.01 H new ATOM 0 HG22 THR A 64 17.103 31.775 8.850 1.00 41.01 H new ATOM 0 HG23 THR A 64 16.928 33.539 9.002 1.00 41.01 H new ATOM 1014 N LEU A 65 16.299 30.358 6.501 1.00 71.30 N ATOM 1015 CA LEU A 65 16.307 29.025 5.908 1.00 62.50 C ATOM 1016 C LEU A 65 15.062 28.241 6.312 1.00 54.44 C ATOM 1017 O LEU A 65 15.104 27.419 7.227 1.00 74.53 O ATOM 1018 CB LEU A 65 17.563 28.263 6.333 1.00 3.52 C ATOM 1019 CG LEU A 65 18.199 28.701 7.654 1.00 25.43 C ATOM 1020 CD1 LEU A 65 17.236 28.476 8.809 1.00 51.23 C ATOM 1021 CD2 LEU A 65 19.504 27.956 7.890 1.00 71.54 C ATOM 0 H LEU A 65 16.606 30.389 7.473 1.00 71.30 H new ATOM 0 HA LEU A 65 16.307 29.137 4.824 1.00 62.50 H new ATOM 0 HB2 LEU A 65 17.314 27.204 6.406 1.00 3.52 H new ATOM 0 HB3 LEU A 65 18.308 28.362 5.544 1.00 3.52 H new ATOM 0 HG LEU A 65 18.419 29.767 7.595 1.00 25.43 H new ATOM 0 HD11 LEU A 65 17.705 28.793 9.741 1.00 51.23 H new ATOM 0 HD12 LEU A 65 16.328 29.056 8.644 1.00 51.23 H new ATOM 0 HD13 LEU A 65 16.984 27.417 8.872 1.00 51.23 H new ATOM 0 HD21 LEU A 65 19.942 28.280 8.834 1.00 71.54 H new ATOM 0 HD22 LEU A 65 19.309 26.884 7.929 1.00 71.54 H new ATOM 0 HD23 LEU A 65 20.197 28.169 7.076 1.00 71.54 H new ATOM 1033 N ASP A 66 13.957 28.501 5.622 1.00 60.34 N ATOM 1034 CA ASP A 66 12.700 27.817 5.908 1.00 32.52 C ATOM 1035 C ASP A 66 12.899 26.305 5.943 1.00 0.34 C ATOM 1036 O ASP A 66 13.948 25.797 5.544 1.00 62.22 O ATOM 1037 CB ASP A 66 11.648 28.181 4.858 1.00 74.14 C ATOM 1038 CG ASP A 66 10.529 29.029 5.431 1.00 52.41 C ATOM 1039 OD1 ASP A 66 10.811 29.863 6.316 1.00 51.30 O ATOM 1040 OD2 ASP A 66 9.372 28.859 4.993 1.00 60.35 O ATOM 0 H ASP A 66 13.905 29.179 4.862 1.00 60.34 H new ATOM 0 HA ASP A 66 12.353 28.142 6.889 1.00 32.52 H new ATOM 0 HB2 ASP A 66 12.126 28.720 4.040 1.00 74.14 H new ATOM 0 HB3 ASP A 66 11.229 27.268 4.436 1.00 74.14 H new ATOM 1045 N HIS A 67 11.887 25.591 6.424 1.00 72.41 N ATOM 1046 CA HIS A 67 11.951 24.137 6.512 1.00 71.22 C ATOM 1047 C HIS A 67 10.673 23.502 5.972 1.00 53.22 C ATOM 1048 O HIS A 67 9.578 24.035 6.152 1.00 42.05 O ATOM 1049 CB HIS A 67 12.177 23.701 7.961 1.00 50.41 C ATOM 1050 CG HIS A 67 13.153 24.564 8.699 1.00 41.34 C ATOM 1051 ND1 HIS A 67 12.845 25.210 9.878 1.00 5.52 N ATOM 1052 CD2 HIS A 67 14.440 24.882 8.423 1.00 24.44 C ATOM 1053 CE1 HIS A 67 13.899 25.892 10.292 1.00 0.13 C ATOM 1054 NE2 HIS A 67 14.880 25.709 9.427 1.00 21.04 N ATOM 0 H HIS A 67 11.013 25.996 6.759 1.00 72.41 H new ATOM 0 HA HIS A 67 12.789 23.799 5.903 1.00 71.22 H new ATOM 0 HB2 HIS A 67 11.223 23.712 8.488 1.00 50.41 H new ATOM 0 HB3 HIS A 67 12.535 22.671 7.971 1.00 50.41 H new ATOM 0 HD1 HIS A 67 11.945 25.168 10.356 1.00 5.52 H new ATOM 0 HD2 HIS A 67 15.014 24.547 7.571 1.00 24.44 H new ATOM 0 HE1 HIS A 67 13.949 26.496 11.186 1.00 0.13 H new ATOM 1062 N THR A 68 10.820 22.360 5.306 1.00 3.41 N ATOM 1063 CA THR A 68 9.679 21.655 4.738 1.00 70.21 C ATOM 1064 C THR A 68 9.446 20.324 5.446 1.00 5.44 C ATOM 1065 O THR A 68 10.166 19.354 5.214 1.00 2.21 O ATOM 1066 CB THR A 68 9.873 21.394 3.232 1.00 1.52 C ATOM 1067 OG1 THR A 68 9.984 22.638 2.530 1.00 62.42 O ATOM 1068 CG2 THR A 68 8.712 20.590 2.668 1.00 72.44 C ATOM 0 H THR A 68 11.719 21.905 5.147 1.00 3.41 H new ATOM 0 HA THR A 68 8.809 22.296 4.880 1.00 70.21 H new ATOM 0 HB THR A 68 10.790 20.819 3.100 1.00 1.52 H new ATOM 0 HG1 THR A 68 10.109 22.464 1.574 1.00 62.42 H new ATOM 0 HG21 THR A 68 8.871 20.418 1.603 1.00 72.44 H new ATOM 0 HG22 THR A 68 8.648 19.632 3.184 1.00 72.44 H new ATOM 0 HG23 THR A 68 7.783 21.142 2.811 1.00 72.44 H new ATOM 1076 N GLU A 69 8.435 20.288 6.309 1.00 12.54 N ATOM 1077 CA GLU A 69 8.109 19.076 7.050 1.00 42.44 C ATOM 1078 C GLU A 69 7.464 18.037 6.138 1.00 42.32 C ATOM 1079 O GLU A 69 6.473 18.319 5.464 1.00 13.14 O ATOM 1080 CB GLU A 69 7.172 19.400 8.215 1.00 5.30 C ATOM 1081 CG GLU A 69 7.545 20.671 8.961 1.00 1.24 C ATOM 1082 CD GLU A 69 6.659 20.922 10.166 1.00 32.51 C ATOM 1083 OE1 GLU A 69 6.939 20.346 11.238 1.00 12.41 O ATOM 1084 OE2 GLU A 69 5.686 21.694 10.037 1.00 32.22 O ATOM 0 H GLU A 69 7.829 21.083 6.512 1.00 12.54 H new ATOM 0 HA GLU A 69 9.037 18.662 7.444 1.00 42.44 H new ATOM 0 HB2 GLU A 69 6.155 19.497 7.836 1.00 5.30 H new ATOM 0 HB3 GLU A 69 7.174 18.564 8.915 1.00 5.30 H new ATOM 0 HG2 GLU A 69 8.583 20.606 9.286 1.00 1.24 H new ATOM 0 HG3 GLU A 69 7.476 21.520 8.281 1.00 1.24 H new ATOM 1091 N ILE A 70 8.033 16.837 6.123 1.00 61.41 N ATOM 1092 CA ILE A 70 7.513 15.755 5.295 1.00 4.22 C ATOM 1093 C ILE A 70 6.389 15.009 6.006 1.00 4.42 C ATOM 1094 O ILE A 70 6.633 14.205 6.904 1.00 61.05 O ATOM 1095 CB ILE A 70 8.620 14.754 4.917 1.00 33.43 C ATOM 1096 CG1 ILE A 70 9.708 15.448 4.097 1.00 1.44 C ATOM 1097 CG2 ILE A 70 8.032 13.582 4.144 1.00 2.22 C ATOM 1098 CD1 ILE A 70 10.749 16.149 4.943 1.00 31.33 C ATOM 0 H ILE A 70 8.854 16.589 6.675 1.00 61.41 H new ATOM 0 HA ILE A 70 7.123 16.213 4.386 1.00 4.22 H new ATOM 0 HB ILE A 70 9.071 14.371 5.832 1.00 33.43 H new ATOM 0 HG12 ILE A 70 10.202 14.710 3.465 1.00 1.44 H new ATOM 0 HG13 ILE A 70 9.242 16.175 3.432 1.00 1.44 H new ATOM 0 HG21 ILE A 70 8.826 12.883 3.884 1.00 2.22 H new ATOM 0 HG22 ILE A 70 7.290 13.075 4.761 1.00 2.22 H new ATOM 0 HG23 ILE A 70 7.558 13.948 3.233 1.00 2.22 H new ATOM 0 HD11 ILE A 70 11.489 16.619 4.295 1.00 31.33 H new ATOM 0 HD12 ILE A 70 10.267 16.911 5.555 1.00 31.33 H new ATOM 0 HD13 ILE A 70 11.242 15.423 5.589 1.00 31.33 H new ATOM 1110 N LYS A 71 5.154 15.282 5.596 1.00 72.31 N ATOM 1111 CA LYS A 71 3.990 14.636 6.190 1.00 50.14 C ATOM 1112 C LYS A 71 3.603 13.385 5.406 1.00 41.01 C ATOM 1113 O LYS A 71 3.999 13.216 4.254 1.00 3.40 O ATOM 1114 CB LYS A 71 2.809 15.607 6.237 1.00 0.34 C ATOM 1115 CG LYS A 71 2.436 16.176 4.879 1.00 3.51 C ATOM 1116 CD LYS A 71 2.269 17.685 4.933 1.00 12.54 C ATOM 1117 CE LYS A 71 3.613 18.396 4.890 1.00 41.43 C ATOM 1118 NZ LYS A 71 4.362 18.093 3.640 1.00 35.35 N ATOM 0 H LYS A 71 4.934 15.947 4.854 1.00 72.31 H new ATOM 0 HA LYS A 71 4.249 14.341 7.207 1.00 50.14 H new ATOM 0 HB2 LYS A 71 1.944 15.094 6.657 1.00 0.34 H new ATOM 0 HB3 LYS A 71 3.051 16.428 6.912 1.00 0.34 H new ATOM 0 HG2 LYS A 71 3.207 15.920 4.152 1.00 3.51 H new ATOM 0 HG3 LYS A 71 1.509 15.719 4.534 1.00 3.51 H new ATOM 0 HD2 LYS A 71 1.655 18.014 4.095 1.00 12.54 H new ATOM 0 HD3 LYS A 71 1.739 17.961 5.845 1.00 12.54 H new ATOM 0 HE2 LYS A 71 3.457 19.472 4.968 1.00 41.43 H new ATOM 0 HE3 LYS A 71 4.209 18.097 5.752 1.00 41.43 H new ATOM 0 HZ1 LYS A 71 5.276 17.659 3.880 1.00 35.35 H new ATOM 0 HZ2 LYS A 71 3.809 17.435 3.055 1.00 35.35 H new ATOM 0 HZ3 LYS A 71 4.525 18.973 3.111 1.00 35.35 H new ATOM 1132 N ALA A 72 2.826 12.513 6.040 1.00 31.42 N ATOM 1133 CA ALA A 72 2.382 11.280 5.400 1.00 4.33 C ATOM 1134 C ALA A 72 1.237 11.547 4.430 1.00 4.33 C ATOM 1135 O ALA A 72 0.395 12.418 4.649 1.00 64.41 O ATOM 1136 CB ALA A 72 1.961 10.263 6.449 1.00 45.44 C ATOM 0 H ALA A 72 2.491 12.637 6.995 1.00 31.42 H new ATOM 0 HA ALA A 72 3.218 10.874 4.831 1.00 4.33 H new ATOM 0 HB1 ALA A 72 1.632 9.348 5.957 1.00 45.44 H new ATOM 0 HB2 ALA A 72 2.806 10.041 7.100 1.00 45.44 H new ATOM 0 HB3 ALA A 72 1.143 10.670 7.043 1.00 45.44 H new ATOM 1142 N PRO A 73 1.202 10.781 3.329 1.00 52.00 N ATOM 1143 CA PRO A 73 0.164 10.917 2.302 1.00 72.13 C ATOM 1144 C PRO A 73 -1.201 10.445 2.793 1.00 23.12 C ATOM 1145 O PRO A 73 -2.231 11.016 2.434 1.00 63.01 O ATOM 1146 CB PRO A 73 0.666 10.017 1.170 1.00 25.41 C ATOM 1147 CG PRO A 73 1.534 9.011 1.842 1.00 22.12 C ATOM 1148 CD PRO A 73 2.173 9.724 3.002 1.00 20.43 C ATOM 0 HA PRO A 73 0.016 11.955 2.005 1.00 72.13 H new ATOM 0 HB2 PRO A 73 -0.163 9.539 0.648 1.00 25.41 H new ATOM 0 HB3 PRO A 73 1.224 10.588 0.428 1.00 25.41 H new ATOM 0 HG2 PRO A 73 0.949 8.157 2.183 1.00 22.12 H new ATOM 0 HG3 PRO A 73 2.289 8.627 1.156 1.00 22.12 H new ATOM 0 HD2 PRO A 73 2.336 9.053 3.846 1.00 20.43 H new ATOM 0 HD3 PRO A 73 3.144 10.140 2.733 1.00 20.43 H new ATOM 1156 N PHE A 74 -1.201 9.401 3.615 1.00 3.42 N ATOM 1157 CA PHE A 74 -2.441 8.853 4.154 1.00 11.42 C ATOM 1158 C PHE A 74 -2.196 8.175 5.498 1.00 53.33 C ATOM 1159 O PHE A 74 -1.056 7.872 5.855 1.00 25.13 O ATOM 1160 CB PHE A 74 -3.051 7.853 3.169 1.00 52.14 C ATOM 1161 CG PHE A 74 -2.034 6.974 2.500 1.00 1.24 C ATOM 1162 CD1 PHE A 74 -1.595 5.810 3.110 1.00 1.04 C ATOM 1163 CD2 PHE A 74 -1.517 7.312 1.259 1.00 13.01 C ATOM 1164 CE1 PHE A 74 -0.660 5.000 2.496 1.00 10.43 C ATOM 1165 CE2 PHE A 74 -0.581 6.505 0.640 1.00 51.21 C ATOM 1166 CZ PHE A 74 -0.153 5.347 1.258 1.00 53.51 C ATOM 0 H PHE A 74 -0.357 8.918 3.922 1.00 3.42 H new ATOM 0 HA PHE A 74 -3.139 9.677 4.304 1.00 11.42 H new ATOM 0 HB2 PHE A 74 -3.769 7.226 3.698 1.00 52.14 H new ATOM 0 HB3 PHE A 74 -3.606 8.399 2.406 1.00 52.14 H new ATOM 0 HD1 PHE A 74 -1.989 5.533 4.077 1.00 1.04 H new ATOM 0 HD2 PHE A 74 -1.849 8.216 0.770 1.00 13.01 H new ATOM 0 HE1 PHE A 74 -0.325 4.096 2.983 1.00 10.43 H new ATOM 0 HE2 PHE A 74 -0.185 6.780 -0.326 1.00 51.21 H new ATOM 0 HZ PHE A 74 0.576 4.714 0.775 1.00 53.51 H new ATOM 1176 N ASP A 75 -3.271 7.940 6.240 1.00 22.31 N ATOM 1177 CA ASP A 75 -3.175 7.296 7.546 1.00 5.24 C ATOM 1178 C ASP A 75 -2.932 5.798 7.397 1.00 24.53 C ATOM 1179 O ASP A 75 -3.091 5.238 6.314 1.00 32.03 O ATOM 1180 CB ASP A 75 -4.450 7.542 8.355 1.00 13.23 C ATOM 1181 CG ASP A 75 -5.654 6.833 7.766 1.00 23.24 C ATOM 1182 OD1 ASP A 75 -5.875 5.653 8.111 1.00 43.41 O ATOM 1183 OD2 ASP A 75 -6.376 7.457 6.960 1.00 0.02 O ATOM 0 H ASP A 75 -4.221 8.186 5.960 1.00 22.31 H new ATOM 0 HA ASP A 75 -2.328 7.731 8.077 1.00 5.24 H new ATOM 0 HB2 ASP A 75 -4.298 7.203 9.380 1.00 13.23 H new ATOM 0 HB3 ASP A 75 -4.648 8.613 8.399 1.00 13.23 H new ATOM 1188 N GLY A 76 -2.547 5.154 8.494 1.00 61.03 N ATOM 1189 CA GLY A 76 -2.287 3.727 8.465 1.00 24.42 C ATOM 1190 C GLY A 76 -1.059 3.343 9.266 1.00 4.44 C ATOM 1191 O GLY A 76 -0.822 3.881 10.349 1.00 75.43 O ATOM 0 H GLY A 76 -2.410 5.596 9.403 1.00 61.03 H new ATOM 0 HA2 GLY A 76 -3.154 3.195 8.858 1.00 24.42 H new ATOM 0 HA3 GLY A 76 -2.157 3.406 7.432 1.00 24.42 H new ATOM 1195 N THR A 77 -0.275 2.411 8.734 1.00 70.52 N ATOM 1196 CA THR A 77 0.934 1.954 9.408 1.00 3.24 C ATOM 1197 C THR A 77 2.181 2.541 8.757 1.00 32.23 C ATOM 1198 O THR A 77 2.294 2.577 7.531 1.00 51.40 O ATOM 1199 CB THR A 77 1.037 0.417 9.396 1.00 2.00 C ATOM 1200 OG1 THR A 77 -0.076 -0.154 10.093 1.00 11.55 O ATOM 1201 CG2 THR A 77 2.335 -0.043 10.042 1.00 11.34 C ATOM 0 H THR A 77 -0.456 1.958 7.838 1.00 70.52 H new ATOM 0 HA THR A 77 0.870 2.298 10.440 1.00 3.24 H new ATOM 0 HB THR A 77 1.027 0.082 8.359 1.00 2.00 H new ATOM 0 HG1 THR A 77 -0.004 -1.131 10.079 1.00 11.55 H new ATOM 0 HG21 THR A 77 2.386 -1.132 10.022 1.00 11.34 H new ATOM 0 HG22 THR A 77 3.181 0.370 9.493 1.00 11.34 H new ATOM 0 HG23 THR A 77 2.370 0.303 11.075 1.00 11.34 H new ATOM 1209 N ILE A 78 3.116 2.998 9.584 1.00 75.42 N ATOM 1210 CA ILE A 78 4.355 3.581 9.088 1.00 52.51 C ATOM 1211 C ILE A 78 5.526 2.620 9.268 1.00 11.32 C ATOM 1212 O ILE A 78 5.599 1.894 10.258 1.00 34.33 O ATOM 1213 CB ILE A 78 4.680 4.906 9.802 1.00 4.04 C ATOM 1214 CG1 ILE A 78 6.028 5.450 9.327 1.00 11.42 C ATOM 1215 CG2 ILE A 78 4.684 4.709 11.310 1.00 75.41 C ATOM 1216 CD1 ILE A 78 6.081 6.960 9.258 1.00 73.01 C ATOM 0 H ILE A 78 3.038 2.975 10.601 1.00 75.42 H new ATOM 0 HA ILE A 78 4.208 3.777 8.026 1.00 52.51 H new ATOM 0 HB ILE A 78 3.908 5.634 9.553 1.00 4.04 H new ATOM 0 HG12 ILE A 78 6.810 5.098 10.000 1.00 11.42 H new ATOM 0 HG13 ILE A 78 6.248 5.042 8.341 1.00 11.42 H new ATOM 0 HG21 ILE A 78 4.915 5.655 11.800 1.00 75.41 H new ATOM 0 HG22 ILE A 78 3.703 4.363 11.634 1.00 75.41 H new ATOM 0 HG23 ILE A 78 5.437 3.968 11.578 1.00 75.41 H new ATOM 0 HD11 ILE A 78 7.066 7.274 8.914 1.00 73.01 H new ATOM 0 HD12 ILE A 78 5.322 7.319 8.563 1.00 73.01 H new ATOM 0 HD13 ILE A 78 5.893 7.376 10.248 1.00 73.01 H new ATOM 1228 N GLY A 79 6.441 2.623 8.303 1.00 51.34 N ATOM 1229 CA GLY A 79 7.597 1.748 8.375 1.00 4.11 C ATOM 1230 C GLY A 79 8.673 2.285 9.299 1.00 34.34 C ATOM 1231 O GLY A 79 8.390 3.071 10.202 1.00 74.14 O ATOM 0 H GLY A 79 6.402 3.215 7.473 1.00 51.34 H new ATOM 0 HA2 GLY A 79 7.283 0.763 8.721 1.00 4.11 H new ATOM 0 HA3 GLY A 79 8.012 1.617 7.376 1.00 4.11 H new ATOM 1235 N ASP A 80 9.911 1.857 9.072 1.00 42.04 N ATOM 1236 CA ASP A 80 11.034 2.299 9.891 1.00 3.12 C ATOM 1237 C ASP A 80 11.882 3.323 9.143 1.00 72.01 C ATOM 1238 O ASP A 80 11.568 3.698 8.014 1.00 14.40 O ATOM 1239 CB ASP A 80 11.896 1.104 10.300 1.00 2.11 C ATOM 1240 CG ASP A 80 12.047 0.090 9.183 1.00 10.10 C ATOM 1241 OD1 ASP A 80 11.124 -0.730 8.997 1.00 33.41 O ATOM 1242 OD2 ASP A 80 13.089 0.119 8.494 1.00 71.55 O ATOM 0 H ASP A 80 10.162 1.205 8.328 1.00 42.04 H new ATOM 0 HA ASP A 80 10.634 2.772 10.788 1.00 3.12 H new ATOM 0 HB2 ASP A 80 12.882 1.457 10.602 1.00 2.11 H new ATOM 0 HB3 ASP A 80 11.451 0.619 11.169 1.00 2.11 H new ATOM 1247 N ALA A 81 12.959 3.771 9.781 1.00 62.32 N ATOM 1248 CA ALA A 81 13.854 4.749 9.176 1.00 23.41 C ATOM 1249 C ALA A 81 14.931 4.066 8.341 1.00 31.23 C ATOM 1250 O ALA A 81 15.318 2.930 8.618 1.00 11.03 O ATOM 1251 CB ALA A 81 14.489 5.619 10.251 1.00 25.14 C ATOM 0 H ALA A 81 13.232 3.472 10.717 1.00 62.32 H new ATOM 0 HA ALA A 81 13.265 5.382 8.513 1.00 23.41 H new ATOM 0 HB1 ALA A 81 15.155 6.345 9.785 1.00 25.14 H new ATOM 0 HB2 ALA A 81 13.709 6.144 10.802 1.00 25.14 H new ATOM 0 HB3 ALA A 81 15.059 4.992 10.937 1.00 25.14 H new ATOM 1257 N LEU A 82 15.411 4.763 7.318 1.00 3.55 N ATOM 1258 CA LEU A 82 16.445 4.224 6.441 1.00 23.42 C ATOM 1259 C LEU A 82 17.730 5.039 6.548 1.00 72.15 C ATOM 1260 O LEU A 82 18.819 4.484 6.695 1.00 70.52 O ATOM 1261 CB LEU A 82 15.955 4.210 4.992 1.00 11.42 C ATOM 1262 CG LEU A 82 15.217 2.948 4.545 1.00 62.43 C ATOM 1263 CD1 LEU A 82 14.147 2.568 5.559 1.00 1.44 C ATOM 1264 CD2 LEU A 82 14.602 3.149 3.169 1.00 31.25 C ATOM 0 H LEU A 82 15.101 5.704 7.075 1.00 3.55 H new ATOM 0 HA LEU A 82 16.658 3.203 6.756 1.00 23.42 H new ATOM 0 HB2 LEU A 82 15.294 5.064 4.845 1.00 11.42 H new ATOM 0 HB3 LEU A 82 16.814 4.355 4.338 1.00 11.42 H new ATOM 0 HG LEU A 82 15.937 2.132 4.483 1.00 62.43 H new ATOM 0 HD11 LEU A 82 13.632 1.668 5.224 1.00 1.44 H new ATOM 0 HD12 LEU A 82 14.613 2.381 6.527 1.00 1.44 H new ATOM 0 HD13 LEU A 82 13.429 3.383 5.653 1.00 1.44 H new ATOM 0 HD21 LEU A 82 14.081 2.240 2.867 1.00 31.25 H new ATOM 0 HD22 LEU A 82 13.895 3.978 3.204 1.00 31.25 H new ATOM 0 HD23 LEU A 82 15.388 3.373 2.448 1.00 31.25 H new ATOM 1276 N VAL A 83 17.596 6.359 6.476 1.00 60.21 N ATOM 1277 CA VAL A 83 18.746 7.251 6.568 1.00 63.53 C ATOM 1278 C VAL A 83 18.802 7.936 7.929 1.00 33.41 C ATOM 1279 O VAL A 83 17.990 7.656 8.810 1.00 54.55 O ATOM 1280 CB VAL A 83 18.712 8.326 5.465 1.00 65.44 C ATOM 1281 CG1 VAL A 83 18.694 7.679 4.089 1.00 30.21 C ATOM 1282 CG2 VAL A 83 17.509 9.239 5.649 1.00 43.15 C ATOM 0 H VAL A 83 16.702 6.835 6.354 1.00 60.21 H new ATOM 0 HA VAL A 83 19.636 6.635 6.437 1.00 63.53 H new ATOM 0 HB VAL A 83 19.615 8.931 5.544 1.00 65.44 H new ATOM 0 HG11 VAL A 83 18.670 8.454 3.323 1.00 30.21 H new ATOM 0 HG12 VAL A 83 19.589 7.070 3.961 1.00 30.21 H new ATOM 0 HG13 VAL A 83 17.810 7.048 3.995 1.00 30.21 H new ATOM 0 HG21 VAL A 83 17.500 9.993 4.861 1.00 43.15 H new ATOM 0 HG22 VAL A 83 16.594 8.650 5.597 1.00 43.15 H new ATOM 0 HG23 VAL A 83 17.570 9.730 6.620 1.00 43.15 H new ATOM 1292 N ASN A 84 19.766 8.836 8.093 1.00 42.31 N ATOM 1293 CA ASN A 84 19.929 9.562 9.347 1.00 11.31 C ATOM 1294 C ASN A 84 19.614 11.043 9.163 1.00 53.23 C ATOM 1295 O ASN A 84 19.185 11.468 8.090 1.00 31.53 O ATOM 1296 CB ASN A 84 21.354 9.393 9.876 1.00 51.32 C ATOM 1297 CG ASN A 84 21.742 7.936 10.041 1.00 23.22 C ATOM 1298 OD1 ASN A 84 21.689 7.389 11.143 1.00 11.54 O ATOM 1299 ND2 ASN A 84 22.133 7.301 8.943 1.00 13.13 N ATOM 0 H ASN A 84 20.446 9.080 7.373 1.00 42.31 H new ATOM 0 HA ASN A 84 19.228 9.148 10.072 1.00 11.31 H new ATOM 0 HB2 ASN A 84 22.052 9.877 9.192 1.00 51.32 H new ATOM 0 HB3 ASN A 84 21.445 9.901 10.836 1.00 51.32 H new ATOM 0 HD21 ASN A 84 22.405 6.319 8.991 1.00 13.13 H new ATOM 0 HD22 ASN A 84 22.161 7.795 8.051 1.00 13.13 H new ATOM 1306 N ILE A 85 19.832 11.824 10.216 1.00 61.32 N ATOM 1307 CA ILE A 85 19.573 13.258 10.170 1.00 12.33 C ATOM 1308 C ILE A 85 20.804 14.023 9.697 1.00 43.40 C ATOM 1309 O ILE A 85 21.937 13.621 9.959 1.00 71.34 O ATOM 1310 CB ILE A 85 19.145 13.797 11.547 1.00 4.20 C ATOM 1311 CG1 ILE A 85 17.829 13.152 11.985 1.00 44.20 C ATOM 1312 CG2 ILE A 85 19.011 15.312 11.504 1.00 62.43 C ATOM 1313 CD1 ILE A 85 17.308 13.678 13.305 1.00 73.13 C ATOM 0 H ILE A 85 20.187 11.488 11.111 1.00 61.32 H new ATOM 0 HA ILE A 85 18.759 13.410 9.461 1.00 12.33 H new ATOM 0 HB ILE A 85 19.913 13.540 12.276 1.00 4.20 H new ATOM 0 HG12 ILE A 85 17.077 13.320 11.214 1.00 44.20 H new ATOM 0 HG13 ILE A 85 17.970 12.074 12.063 1.00 44.20 H new ATOM 0 HG21 ILE A 85 18.708 15.678 12.485 1.00 62.43 H new ATOM 0 HG22 ILE A 85 19.969 15.754 11.232 1.00 62.43 H new ATOM 0 HG23 ILE A 85 18.260 15.590 10.765 1.00 62.43 H new ATOM 0 HD11 ILE A 85 16.373 13.176 13.553 1.00 73.13 H new ATOM 0 HD12 ILE A 85 18.041 13.486 14.088 1.00 73.13 H new ATOM 0 HD13 ILE A 85 17.134 14.751 13.226 1.00 73.13 H new ATOM 1325 N GLY A 86 20.574 15.131 8.999 1.00 74.10 N ATOM 1326 CA GLY A 86 21.673 15.937 8.501 1.00 10.11 C ATOM 1327 C GLY A 86 22.257 15.390 7.213 1.00 63.20 C ATOM 1328 O GLY A 86 23.354 15.773 6.810 1.00 2.53 O ATOM 0 H GLY A 86 19.645 15.485 8.769 1.00 74.10 H new ATOM 0 HA2 GLY A 86 21.325 16.957 8.334 1.00 10.11 H new ATOM 0 HA3 GLY A 86 22.455 15.987 9.258 1.00 10.11 H new ATOM 1332 N ASP A 87 21.522 14.493 6.568 1.00 33.51 N ATOM 1333 CA ASP A 87 21.973 13.892 5.317 1.00 30.40 C ATOM 1334 C ASP A 87 21.318 14.573 4.119 1.00 61.24 C ATOM 1335 O ASP A 87 20.103 14.775 4.094 1.00 51.05 O ATOM 1336 CB ASP A 87 21.658 12.394 5.303 1.00 24.32 C ATOM 1337 CG ASP A 87 22.886 11.547 5.043 1.00 70.15 C ATOM 1338 OD1 ASP A 87 23.786 12.014 4.313 1.00 32.41 O ATOM 1339 OD2 ASP A 87 22.949 10.417 5.570 1.00 14.03 O ATOM 0 H ASP A 87 20.611 14.165 6.889 1.00 33.51 H new ATOM 0 HA ASP A 87 23.052 14.030 5.245 1.00 30.40 H new ATOM 0 HB2 ASP A 87 21.220 12.109 6.259 1.00 24.32 H new ATOM 0 HB3 ASP A 87 20.911 12.190 4.536 1.00 24.32 H new ATOM 1344 N TYR A 88 22.130 14.926 3.131 1.00 12.04 N ATOM 1345 CA TYR A 88 21.631 15.589 1.930 1.00 70.54 C ATOM 1346 C TYR A 88 20.631 14.701 1.195 1.00 31.24 C ATOM 1347 O TYR A 88 20.941 13.567 0.830 1.00 4.31 O ATOM 1348 CB TYR A 88 22.791 15.949 1.001 1.00 53.12 C ATOM 1349 CG TYR A 88 22.351 16.581 -0.299 1.00 63.30 C ATOM 1350 CD1 TYR A 88 21.945 17.910 -0.346 1.00 12.11 C ATOM 1351 CD2 TYR A 88 22.341 15.851 -1.482 1.00 42.21 C ATOM 1352 CE1 TYR A 88 21.541 18.491 -1.532 1.00 10.41 C ATOM 1353 CE2 TYR A 88 21.940 16.426 -2.673 1.00 2.40 C ATOM 1354 CZ TYR A 88 21.541 17.746 -2.693 1.00 65.44 C ATOM 1355 OH TYR A 88 21.141 18.323 -3.876 1.00 21.14 O ATOM 0 H TYR A 88 23.137 14.765 3.136 1.00 12.04 H new ATOM 0 HA TYR A 88 21.122 16.504 2.234 1.00 70.54 H new ATOM 0 HB2 TYR A 88 23.462 16.634 1.520 1.00 53.12 H new ATOM 0 HB3 TYR A 88 23.363 15.048 0.782 1.00 53.12 H new ATOM 0 HD1 TYR A 88 21.946 18.498 0.560 1.00 12.11 H new ATOM 0 HD2 TYR A 88 22.652 14.817 -1.470 1.00 42.21 H new ATOM 0 HE1 TYR A 88 21.226 19.524 -1.550 1.00 10.41 H new ATOM 0 HE2 TYR A 88 21.939 15.845 -3.583 1.00 2.40 H new ATOM 0 HH TYR A 88 21.201 17.663 -4.598 1.00 21.14 H new ATOM 1365 N VAL A 89 19.430 15.228 0.980 1.00 64.44 N ATOM 1366 CA VAL A 89 18.383 14.485 0.287 1.00 5.31 C ATOM 1367 C VAL A 89 18.139 15.054 -1.107 1.00 24.13 C ATOM 1368 O VAL A 89 18.468 16.207 -1.385 1.00 42.35 O ATOM 1369 CB VAL A 89 17.061 14.508 1.078 1.00 35.04 C ATOM 1370 CG1 VAL A 89 17.129 13.551 2.258 1.00 0.32 C ATOM 1371 CG2 VAL A 89 16.742 15.921 1.543 1.00 34.11 C ATOM 0 H VAL A 89 19.158 16.166 1.275 1.00 64.44 H new ATOM 0 HA VAL A 89 18.728 13.455 0.201 1.00 5.31 H new ATOM 0 HB VAL A 89 16.258 14.178 0.419 1.00 35.04 H new ATOM 0 HG11 VAL A 89 16.187 13.580 2.805 1.00 0.32 H new ATOM 0 HG12 VAL A 89 17.307 12.538 1.896 1.00 0.32 H new ATOM 0 HG13 VAL A 89 17.942 13.847 2.920 1.00 0.32 H new ATOM 0 HG21 VAL A 89 15.805 15.918 2.100 1.00 34.11 H new ATOM 0 HG22 VAL A 89 17.545 16.283 2.186 1.00 34.11 H new ATOM 0 HG23 VAL A 89 16.647 16.576 0.677 1.00 34.11 H new ATOM 1381 N SER A 90 17.558 14.237 -1.979 1.00 22.22 N ATOM 1382 CA SER A 90 17.271 14.657 -3.346 1.00 63.32 C ATOM 1383 C SER A 90 15.796 14.452 -3.680 1.00 33.13 C ATOM 1384 O SER A 90 15.411 13.418 -4.226 1.00 22.11 O ATOM 1385 CB SER A 90 18.142 13.880 -4.334 1.00 35.34 C ATOM 1386 OG SER A 90 19.185 14.694 -4.845 1.00 73.14 O ATOM 0 H SER A 90 17.277 13.281 -1.764 1.00 22.22 H new ATOM 0 HA SER A 90 17.500 15.720 -3.429 1.00 63.32 H new ATOM 0 HB2 SER A 90 18.567 13.006 -3.840 1.00 35.34 H new ATOM 0 HB3 SER A 90 17.527 13.513 -5.156 1.00 35.34 H new ATOM 0 HG SER A 90 19.728 14.174 -5.473 1.00 73.14 H new ATOM 1392 N ALA A 91 14.977 15.443 -3.346 1.00 23.24 N ATOM 1393 CA ALA A 91 13.545 15.372 -3.613 1.00 42.44 C ATOM 1394 C ALA A 91 12.971 14.030 -3.173 1.00 63.11 C ATOM 1395 O ALA A 91 13.516 13.370 -2.289 1.00 75.44 O ATOM 1396 CB ALA A 91 13.271 15.608 -5.090 1.00 24.21 C ATOM 0 H ALA A 91 15.280 16.304 -2.890 1.00 23.24 H new ATOM 0 HA ALA A 91 13.053 16.154 -3.035 1.00 42.44 H new ATOM 0 HB1 ALA A 91 12.198 15.552 -5.275 1.00 24.21 H new ATOM 0 HB2 ALA A 91 13.637 16.594 -5.375 1.00 24.21 H new ATOM 0 HB3 ALA A 91 13.781 14.847 -5.681 1.00 24.21 H new ATOM 1402 N SER A 92 11.866 13.633 -3.795 1.00 32.23 N ATOM 1403 CA SER A 92 11.215 12.371 -3.465 1.00 33.41 C ATOM 1404 C SER A 92 12.133 11.190 -3.765 1.00 12.23 C ATOM 1405 O SER A 92 11.890 10.068 -3.319 1.00 40.52 O ATOM 1406 CB SER A 92 9.908 12.226 -4.248 1.00 21.23 C ATOM 1407 OG SER A 92 8.817 11.975 -3.379 1.00 5.21 O ATOM 0 H SER A 92 11.403 14.167 -4.530 1.00 32.23 H new ATOM 0 HA SER A 92 10.993 12.375 -2.398 1.00 33.41 H new ATOM 0 HB2 SER A 92 9.720 13.135 -4.819 1.00 21.23 H new ATOM 0 HB3 SER A 92 9.999 11.411 -4.966 1.00 21.23 H new ATOM 0 HG SER A 92 7.994 11.888 -3.904 1.00 5.21 H new ATOM 1413 N THR A 93 13.192 11.451 -4.527 1.00 31.55 N ATOM 1414 CA THR A 93 14.147 10.411 -4.890 1.00 42.45 C ATOM 1415 C THR A 93 14.769 9.780 -3.649 1.00 51.32 C ATOM 1416 O THR A 93 15.141 8.606 -3.657 1.00 73.31 O ATOM 1417 CB THR A 93 15.270 10.969 -5.786 1.00 71.34 C ATOM 1418 OG1 THR A 93 14.735 11.935 -6.697 1.00 44.31 O ATOM 1419 CG2 THR A 93 15.945 9.850 -6.565 1.00 31.22 C ATOM 0 H THR A 93 13.409 12.373 -4.904 1.00 31.55 H new ATOM 0 HA THR A 93 13.594 9.651 -5.443 1.00 42.45 H new ATOM 0 HB THR A 93 16.013 11.446 -5.147 1.00 71.34 H new ATOM 0 HG1 THR A 93 14.775 12.826 -6.290 1.00 44.31 H new ATOM 0 HG21 THR A 93 16.734 10.267 -7.191 1.00 31.22 H new ATOM 0 HG22 THR A 93 16.376 9.131 -5.869 1.00 31.22 H new ATOM 0 HG23 THR A 93 15.209 9.350 -7.195 1.00 31.22 H new ATOM 1427 N THR A 94 14.879 10.565 -2.582 1.00 22.22 N ATOM 1428 CA THR A 94 15.456 10.084 -1.334 1.00 35.45 C ATOM 1429 C THR A 94 14.404 9.398 -0.471 1.00 61.32 C ATOM 1430 O THR A 94 13.573 10.059 0.152 1.00 74.23 O ATOM 1431 CB THR A 94 16.095 11.231 -0.531 1.00 43.45 C ATOM 1432 OG1 THR A 94 17.314 11.648 -1.156 1.00 12.32 O ATOM 1433 CG2 THR A 94 16.376 10.798 0.901 1.00 41.40 C ATOM 0 H THR A 94 14.575 11.538 -2.558 1.00 22.22 H new ATOM 0 HA THR A 94 16.229 9.364 -1.600 1.00 35.45 H new ATOM 0 HB THR A 94 15.394 12.065 -0.511 1.00 43.45 H new ATOM 0 HG1 THR A 94 17.247 11.514 -2.125 1.00 12.32 H new ATOM 0 HG21 THR A 94 16.827 11.625 1.449 1.00 41.40 H new ATOM 0 HG22 THR A 94 15.442 10.509 1.384 1.00 41.40 H new ATOM 0 HG23 THR A 94 17.060 9.949 0.897 1.00 41.40 H new ATOM 1441 N GLU A 95 14.446 8.069 -0.437 1.00 25.20 N ATOM 1442 CA GLU A 95 13.494 7.295 0.351 1.00 21.03 C ATOM 1443 C GLU A 95 14.066 6.969 1.727 1.00 41.04 C ATOM 1444 O GLU A 95 15.015 6.192 1.850 1.00 65.43 O ATOM 1445 CB GLU A 95 13.125 6.003 -0.380 1.00 61.43 C ATOM 1446 CG GLU A 95 14.323 5.266 -0.956 1.00 22.32 C ATOM 1447 CD GLU A 95 14.038 3.799 -1.211 1.00 61.25 C ATOM 1448 OE1 GLU A 95 13.015 3.295 -0.701 1.00 54.42 O ATOM 1449 OE2 GLU A 95 14.839 3.154 -1.920 1.00 45.15 O ATOM 0 H GLU A 95 15.129 7.507 -0.946 1.00 25.20 H new ATOM 0 HA GLU A 95 12.595 7.898 0.484 1.00 21.03 H new ATOM 0 HB2 GLU A 95 12.600 5.342 0.310 1.00 61.43 H new ATOM 0 HB3 GLU A 95 12.431 6.238 -1.187 1.00 61.43 H new ATOM 0 HG2 GLU A 95 14.623 5.742 -1.890 1.00 22.32 H new ATOM 0 HG3 GLU A 95 15.164 5.355 -0.269 1.00 22.32 H new ATOM 1456 N LEU A 96 13.484 7.568 2.760 1.00 50.33 N ATOM 1457 CA LEU A 96 13.935 7.343 4.130 1.00 13.20 C ATOM 1458 C LEU A 96 12.960 6.444 4.883 1.00 14.40 C ATOM 1459 O LEU A 96 13.323 5.809 5.874 1.00 43.42 O ATOM 1460 CB LEU A 96 14.089 8.676 4.863 1.00 2.11 C ATOM 1461 CG LEU A 96 13.112 9.781 4.460 1.00 74.24 C ATOM 1462 CD1 LEU A 96 13.441 10.303 3.070 1.00 61.21 C ATOM 1463 CD2 LEU A 96 11.679 9.270 4.514 1.00 63.23 C ATOM 0 H LEU A 96 12.699 8.213 2.676 1.00 50.33 H new ATOM 0 HA LEU A 96 14.903 6.844 4.090 1.00 13.20 H new ATOM 0 HB2 LEU A 96 13.980 8.494 5.932 1.00 2.11 H new ATOM 0 HB3 LEU A 96 15.104 9.040 4.704 1.00 2.11 H new ATOM 0 HG LEU A 96 13.211 10.604 5.168 1.00 74.24 H new ATOM 0 HD11 LEU A 96 12.735 11.089 2.800 1.00 61.21 H new ATOM 0 HD12 LEU A 96 14.454 10.707 3.063 1.00 61.21 H new ATOM 0 HD13 LEU A 96 13.370 9.488 2.349 1.00 61.21 H new ATOM 0 HD21 LEU A 96 10.997 10.069 4.224 1.00 63.23 H new ATOM 0 HD22 LEU A 96 11.566 8.430 3.828 1.00 63.23 H new ATOM 0 HD23 LEU A 96 11.447 8.944 5.528 1.00 63.23 H new ATOM 1475 N VAL A 97 11.721 6.393 4.406 1.00 35.02 N ATOM 1476 CA VAL A 97 10.693 5.569 5.033 1.00 1.52 C ATOM 1477 C VAL A 97 9.572 5.248 4.051 1.00 30.15 C ATOM 1478 O VAL A 97 9.372 5.960 3.067 1.00 2.52 O ATOM 1479 CB VAL A 97 10.094 6.264 6.270 1.00 3.51 C ATOM 1480 CG1 VAL A 97 9.204 7.424 5.852 1.00 62.21 C ATOM 1481 CG2 VAL A 97 9.322 5.267 7.119 1.00 31.52 C ATOM 0 H VAL A 97 11.404 6.912 3.587 1.00 35.02 H new ATOM 0 HA VAL A 97 11.176 4.643 5.344 1.00 1.52 H new ATOM 0 HB VAL A 97 10.910 6.663 6.872 1.00 3.51 H new ATOM 0 HG11 VAL A 97 8.790 7.903 6.739 1.00 62.21 H new ATOM 0 HG12 VAL A 97 9.792 8.149 5.289 1.00 62.21 H new ATOM 0 HG13 VAL A 97 8.392 7.053 5.227 1.00 62.21 H new ATOM 0 HG21 VAL A 97 8.906 5.775 7.989 1.00 31.52 H new ATOM 0 HG22 VAL A 97 8.513 4.836 6.529 1.00 31.52 H new ATOM 0 HG23 VAL A 97 9.993 4.474 7.449 1.00 31.52 H new ATOM 1491 N ARG A 98 8.843 4.171 4.326 1.00 2.53 N ATOM 1492 CA ARG A 98 7.742 3.755 3.466 1.00 21.43 C ATOM 1493 C ARG A 98 6.466 3.552 4.278 1.00 33.41 C ATOM 1494 O ARG A 98 6.517 3.244 5.469 1.00 14.05 O ATOM 1495 CB ARG A 98 8.101 2.464 2.729 1.00 33.00 C ATOM 1496 CG ARG A 98 8.197 1.250 3.640 1.00 34.51 C ATOM 1497 CD ARG A 98 9.540 1.190 4.350 1.00 11.12 C ATOM 1498 NE ARG A 98 9.939 -0.182 4.651 1.00 44.12 N ATOM 1499 CZ ARG A 98 10.939 -0.494 5.469 1.00 21.53 C ATOM 1500 NH1 ARG A 98 11.637 0.464 6.064 1.00 33.52 N ATOM 1501 NH2 ARG A 98 11.242 -1.766 5.693 1.00 30.43 N ATOM 0 H ARG A 98 8.995 3.571 5.137 1.00 2.53 H new ATOM 0 HA ARG A 98 7.566 4.545 2.735 1.00 21.43 H new ATOM 0 HB2 ARG A 98 7.351 2.273 1.961 1.00 33.00 H new ATOM 0 HB3 ARG A 98 9.054 2.600 2.217 1.00 33.00 H new ATOM 0 HG2 ARG A 98 7.395 1.283 4.378 1.00 34.51 H new ATOM 0 HG3 ARG A 98 8.053 0.342 3.054 1.00 34.51 H new ATOM 0 HD2 ARG A 98 10.301 1.660 3.727 1.00 11.12 H new ATOM 0 HD3 ARG A 98 9.487 1.763 5.275 1.00 11.12 H new ATOM 0 HE ARG A 98 9.422 -0.942 4.209 1.00 44.12 H new ATOM 0 HH11 ARG A 98 11.407 1.443 5.894 1.00 33.52 H new ATOM 0 HH12 ARG A 98 12.404 0.222 6.691 1.00 33.52 H new ATOM 0 HH21 ARG A 98 10.707 -2.506 5.237 1.00 30.43 H new ATOM 0 HH22 ARG A 98 12.010 -2.004 6.321 1.00 30.43 H new ATOM 1515 N VAL A 99 5.321 3.727 3.624 1.00 42.53 N ATOM 1516 CA VAL A 99 4.032 3.563 4.285 1.00 72.30 C ATOM 1517 C VAL A 99 3.310 2.318 3.780 1.00 21.03 C ATOM 1518 O VAL A 99 3.256 2.064 2.576 1.00 61.25 O ATOM 1519 CB VAL A 99 3.128 4.791 4.065 1.00 71.11 C ATOM 1520 CG1 VAL A 99 2.710 4.892 2.606 1.00 3.52 C ATOM 1521 CG2 VAL A 99 1.910 4.725 4.974 1.00 31.11 C ATOM 0 H VAL A 99 5.261 3.982 2.638 1.00 42.53 H new ATOM 0 HA VAL A 99 4.234 3.456 5.351 1.00 72.30 H new ATOM 0 HB VAL A 99 3.694 5.687 4.318 1.00 71.11 H new ATOM 0 HG11 VAL A 99 2.072 5.765 2.470 1.00 3.52 H new ATOM 0 HG12 VAL A 99 3.597 4.989 1.979 1.00 3.52 H new ATOM 0 HG13 VAL A 99 2.161 3.994 2.322 1.00 3.52 H new ATOM 0 HG21 VAL A 99 1.282 5.600 4.805 1.00 31.11 H new ATOM 0 HG22 VAL A 99 1.340 3.822 4.754 1.00 31.11 H new ATOM 0 HG23 VAL A 99 2.233 4.705 6.015 1.00 31.11 H new ATOM 1531 N THR A 100 2.757 1.544 4.708 1.00 23.43 N ATOM 1532 CA THR A 100 2.038 0.326 4.358 1.00 74.10 C ATOM 1533 C THR A 100 0.735 0.210 5.140 1.00 3.11 C ATOM 1534 O THR A 100 0.496 0.967 6.080 1.00 0.21 O ATOM 1535 CB THR A 100 2.895 -0.927 4.623 1.00 53.11 C ATOM 1536 OG1 THR A 100 2.230 -2.092 4.121 1.00 42.31 O ATOM 1537 CG2 THR A 100 3.165 -1.092 6.111 1.00 71.51 C ATOM 0 H THR A 100 2.793 1.739 5.708 1.00 23.43 H new ATOM 0 HA THR A 100 1.814 0.387 3.293 1.00 74.10 H new ATOM 0 HB THR A 100 3.848 -0.804 4.108 1.00 53.11 H new ATOM 0 HG1 THR A 100 2.782 -2.883 4.292 1.00 42.31 H new ATOM 0 HG21 THR A 100 3.772 -1.983 6.274 1.00 71.51 H new ATOM 0 HG22 THR A 100 3.698 -0.217 6.483 1.00 71.51 H new ATOM 0 HG23 THR A 100 2.219 -1.195 6.643 1.00 71.51 H new ATOM 1545 N ASN A 101 -0.105 -0.741 4.746 1.00 12.25 N ATOM 1546 CA ASN A 101 -1.385 -0.954 5.410 1.00 4.31 C ATOM 1547 C ASN A 101 -2.213 0.328 5.422 1.00 11.53 C ATOM 1548 O ASN A 101 -1.874 1.303 4.750 1.00 25.23 O ATOM 1549 CB ASN A 101 -1.164 -1.443 6.843 1.00 53.13 C ATOM 1550 CG ASN A 101 -1.885 -2.748 7.126 1.00 23.03 C ATOM 1551 OD1 ASN A 101 -1.881 -3.663 6.304 1.00 73.21 O ATOM 1552 ND2 ASN A 101 -2.509 -2.836 8.295 1.00 22.14 N ATOM 0 H ASN A 101 0.078 -1.377 3.970 1.00 12.25 H new ATOM 0 HA ASN A 101 -1.932 -1.714 4.853 1.00 4.31 H new ATOM 0 HB2 ASN A 101 -0.096 -1.575 7.018 1.00 53.13 H new ATOM 0 HB3 ASN A 101 -1.510 -0.681 7.542 1.00 53.13 H new ATOM 0 HD21 ASN A 101 -3.012 -3.688 8.542 1.00 22.14 H new ATOM 0 HD22 ASN A 101 -2.485 -2.051 8.946 1.00 22.14 H new ATOM 1559 N LEU A 102 -3.297 0.318 6.188 1.00 40.24 N ATOM 1560 CA LEU A 102 -4.174 1.480 6.288 1.00 60.21 C ATOM 1561 C LEU A 102 -5.143 1.332 7.457 1.00 31.42 C ATOM 1562 O LEU A 102 -5.116 2.119 8.402 1.00 61.01 O ATOM 1563 CB LEU A 102 -4.952 1.669 4.986 1.00 1.25 C ATOM 1564 CG LEU A 102 -5.130 3.113 4.513 1.00 31.42 C ATOM 1565 CD1 LEU A 102 -5.667 3.981 5.640 1.00 50.02 C ATOM 1566 CD2 LEU A 102 -3.813 3.669 3.991 1.00 35.23 C ATOM 0 H LEU A 102 -3.591 -0.481 6.749 1.00 40.24 H new ATOM 0 HA LEU A 102 -3.554 2.359 6.464 1.00 60.21 H new ATOM 0 HB2 LEU A 102 -4.445 1.110 4.199 1.00 1.25 H new ATOM 0 HB3 LEU A 102 -5.939 1.224 5.108 1.00 1.25 H new ATOM 0 HG LEU A 102 -5.854 3.122 3.698 1.00 31.42 H new ATOM 0 HD11 LEU A 102 -5.787 5.005 5.285 1.00 50.02 H new ATOM 0 HD12 LEU A 102 -6.632 3.595 5.968 1.00 50.02 H new ATOM 0 HD13 LEU A 102 -4.967 3.966 6.476 1.00 50.02 H new ATOM 0 HD21 LEU A 102 -3.958 4.697 3.659 1.00 35.23 H new ATOM 0 HD22 LEU A 102 -3.068 3.646 4.786 1.00 35.23 H new ATOM 0 HD23 LEU A 102 -3.468 3.062 3.154 1.00 35.23 H new ATOM 1578 N ASN A 103 -5.998 0.317 7.384 1.00 61.21 N ATOM 1579 CA ASN A 103 -6.975 0.065 8.437 1.00 34.32 C ATOM 1580 C ASN A 103 -6.285 -0.365 9.728 1.00 72.04 C ATOM 1581 O ASN A 103 -5.174 -0.896 9.721 1.00 72.21 O ATOM 1582 CB ASN A 103 -7.967 -1.012 7.993 1.00 61.20 C ATOM 1583 CG ASN A 103 -7.275 -2.260 7.477 1.00 3.41 C ATOM 1584 OD1 ASN A 103 -6.065 -2.421 7.635 1.00 11.23 O ATOM 1585 ND2 ASN A 103 -8.042 -3.148 6.857 1.00 64.40 N ATOM 0 H ASN A 103 -6.034 -0.344 6.608 1.00 61.21 H new ATOM 0 HA ASN A 103 -7.516 0.992 8.626 1.00 34.32 H new ATOM 0 HB2 ASN A 103 -8.610 -1.277 8.832 1.00 61.20 H new ATOM 0 HB3 ASN A 103 -8.612 -0.608 7.212 1.00 61.20 H new ATOM 0 HD21 ASN A 103 -7.633 -4.006 6.488 1.00 64.40 H new ATOM 0 HD22 ASN A 103 -9.041 -2.972 6.749 1.00 64.40 H new ATOM 1592 N PRO A 104 -6.958 -0.131 10.865 1.00 75.33 N ATOM 1593 CA PRO A 104 -6.430 -0.488 12.185 1.00 3.43 C ATOM 1594 C PRO A 104 -6.388 -1.996 12.405 1.00 12.41 C ATOM 1595 O PRO A 104 -7.382 -2.603 12.803 1.00 24.54 O ATOM 1596 CB PRO A 104 -7.419 0.166 13.151 1.00 64.44 C ATOM 1597 CG PRO A 104 -8.689 0.271 12.379 1.00 63.03 C ATOM 1598 CD PRO A 104 -8.286 0.498 10.948 1.00 43.15 C ATOM 0 HA PRO A 104 -5.401 -0.154 12.316 1.00 3.43 H new ATOM 0 HB2 PRO A 104 -7.551 -0.436 14.050 1.00 64.44 H new ATOM 0 HB3 PRO A 104 -7.069 1.147 13.472 1.00 64.44 H new ATOM 0 HG2 PRO A 104 -9.282 -0.638 12.478 1.00 63.03 H new ATOM 0 HG3 PRO A 104 -9.302 1.093 12.747 1.00 63.03 H new ATOM 0 HD2 PRO A 104 -8.991 0.041 10.254 1.00 43.15 H new ATOM 0 HD3 PRO A 104 -8.244 1.560 10.706 1.00 43.15 H new ATOM 1606 N ILE A 105 -5.231 -2.595 12.145 1.00 33.05 N ATOM 1607 CA ILE A 105 -5.060 -4.032 12.316 1.00 32.51 C ATOM 1608 C ILE A 105 -4.246 -4.344 13.567 1.00 50.00 C ATOM 1609 O ILE A 105 -3.365 -3.576 13.955 1.00 12.20 O ATOM 1610 CB ILE A 105 -4.367 -4.667 11.096 1.00 20.42 C ATOM 1611 CG1 ILE A 105 -5.090 -4.268 9.807 1.00 31.11 C ATOM 1612 CG2 ILE A 105 -4.325 -6.181 11.238 1.00 53.23 C ATOM 1613 CD1 ILE A 105 -6.552 -4.656 9.789 1.00 51.23 C ATOM 0 H ILE A 105 -4.398 -2.107 11.815 1.00 33.05 H new ATOM 0 HA ILE A 105 -6.058 -4.457 12.419 1.00 32.51 H new ATOM 0 HB ILE A 105 -3.343 -4.298 11.046 1.00 20.42 H new ATOM 0 HG12 ILE A 105 -5.007 -3.190 9.672 1.00 31.11 H new ATOM 0 HG13 ILE A 105 -4.588 -4.735 8.959 1.00 31.11 H new ATOM 0 HG21 ILE A 105 -3.832 -6.615 10.368 1.00 53.23 H new ATOM 0 HG22 ILE A 105 -3.771 -6.447 12.138 1.00 53.23 H new ATOM 0 HG23 ILE A 105 -5.341 -6.568 11.310 1.00 53.23 H new ATOM 0 HD11 ILE A 105 -7.000 -4.342 8.846 1.00 51.23 H new ATOM 0 HD12 ILE A 105 -6.643 -5.737 9.892 1.00 51.23 H new ATOM 0 HD13 ILE A 105 -7.068 -4.168 10.616 1.00 51.23 H new ATOM 1625 N TYR A 106 -4.545 -5.477 14.194 1.00 41.53 N ATOM 1626 CA TYR A 106 -3.841 -5.890 15.402 1.00 63.15 C ATOM 1627 C TYR A 106 -4.069 -7.372 15.686 1.00 33.35 C ATOM 1628 O TYR A 106 -4.573 -7.743 16.745 1.00 1.14 O ATOM 1629 CB TYR A 106 -4.302 -5.055 16.598 1.00 21.31 C ATOM 1630 CG TYR A 106 -5.792 -4.798 16.617 1.00 44.32 C ATOM 1631 CD1 TYR A 106 -6.333 -3.681 15.991 1.00 53.12 C ATOM 1632 CD2 TYR A 106 -6.659 -5.671 17.262 1.00 31.14 C ATOM 1633 CE1 TYR A 106 -7.694 -3.442 16.008 1.00 43.32 C ATOM 1634 CE2 TYR A 106 -8.022 -5.440 17.282 1.00 54.15 C ATOM 1635 CZ TYR A 106 -8.533 -4.325 16.655 1.00 21.33 C ATOM 1636 OH TYR A 106 -9.889 -4.091 16.672 1.00 24.33 O ATOM 0 H TYR A 106 -5.270 -6.125 13.886 1.00 41.53 H new ATOM 0 HA TYR A 106 -2.775 -5.728 15.243 1.00 63.15 H new ATOM 0 HB2 TYR A 106 -4.018 -5.565 17.518 1.00 21.31 H new ATOM 0 HB3 TYR A 106 -3.777 -4.100 16.588 1.00 21.31 H new ATOM 0 HD1 TYR A 106 -5.679 -2.988 15.483 1.00 53.12 H new ATOM 0 HD2 TYR A 106 -6.262 -6.545 17.756 1.00 31.14 H new ATOM 0 HE1 TYR A 106 -8.098 -2.569 15.518 1.00 43.32 H new ATOM 0 HE2 TYR A 106 -8.682 -6.130 17.786 1.00 54.15 H new ATOM 0 HH TYR A 106 -10.338 -4.807 17.168 1.00 24.33 H new ATOM 1646 N ALA A 107 -3.692 -8.215 14.728 1.00 64.55 N ATOM 1647 CA ALA A 107 -3.852 -9.656 14.874 1.00 70.35 C ATOM 1648 C ALA A 107 -2.872 -10.410 13.982 1.00 53.04 C ATOM 1649 O ALA A 107 -3.105 -10.571 12.784 1.00 41.23 O ATOM 1650 CB ALA A 107 -5.282 -10.063 14.552 1.00 74.53 C ATOM 0 H ALA A 107 -3.274 -7.924 13.844 1.00 64.55 H new ATOM 0 HA ALA A 107 -3.636 -9.918 15.910 1.00 70.35 H new ATOM 0 HB1 ALA A 107 -5.387 -11.142 14.665 1.00 74.53 H new ATOM 0 HB2 ALA A 107 -5.966 -9.558 15.234 1.00 74.53 H new ATOM 0 HB3 ALA A 107 -5.518 -9.781 13.526 1.00 74.53 H new ATOM 1656 N ASP A 108 -1.775 -10.871 14.574 1.00 44.31 N ATOM 1657 CA ASP A 108 -0.759 -11.608 13.834 1.00 10.34 C ATOM 1658 C ASP A 108 -0.625 -13.033 14.364 1.00 4.05 C ATOM 1659 O ASP A 108 -0.724 -13.268 15.567 1.00 71.52 O ATOM 1660 CB ASP A 108 0.589 -10.890 13.920 1.00 44.34 C ATOM 1661 CG ASP A 108 1.619 -11.476 12.976 1.00 51.42 C ATOM 1662 OD1 ASP A 108 1.228 -11.948 11.888 1.00 71.24 O ATOM 1663 OD2 ASP A 108 2.819 -11.462 13.324 1.00 25.21 O ATOM 0 H ASP A 108 -1.567 -10.747 15.565 1.00 44.31 H new ATOM 0 HA ASP A 108 -1.070 -11.656 12.790 1.00 10.34 H new ATOM 0 HB2 ASP A 108 0.450 -9.834 13.690 1.00 44.34 H new ATOM 0 HB3 ASP A 108 0.963 -10.947 14.942 1.00 44.34 H new ATOM 1668 N GLY A 109 -0.402 -13.978 13.457 1.00 20.25 N ATOM 1669 CA GLY A 109 -0.260 -15.367 13.853 1.00 30.41 C ATOM 1670 C GLY A 109 1.155 -15.880 13.674 1.00 44.52 C ATOM 1671 O GLY A 109 1.547 -16.868 14.294 1.00 41.42 O ATOM 0 H GLY A 109 -0.317 -13.807 12.455 1.00 20.25 H new ATOM 0 HA2 GLY A 109 -0.553 -15.475 14.897 1.00 30.41 H new ATOM 0 HA3 GLY A 109 -0.943 -15.981 13.265 1.00 30.41 H new ATOM 1675 N SER A 110 1.923 -15.207 12.823 1.00 1.23 N ATOM 1676 CA SER A 110 3.301 -15.603 12.561 1.00 14.23 C ATOM 1677 C SER A 110 4.174 -15.383 13.792 1.00 73.02 C ATOM 1678 O SER A 110 5.139 -16.114 14.023 1.00 1.52 O ATOM 1679 CB SER A 110 3.864 -14.816 11.375 1.00 44.02 C ATOM 1680 OG SER A 110 5.242 -15.092 11.188 1.00 25.14 O ATOM 0 H SER A 110 1.614 -14.385 12.304 1.00 1.23 H new ATOM 0 HA SER A 110 3.307 -16.666 12.319 1.00 14.23 H new ATOM 0 HB2 SER A 110 3.313 -15.072 10.470 1.00 44.02 H new ATOM 0 HB3 SER A 110 3.723 -13.748 11.543 1.00 44.02 H new ATOM 0 HG SER A 110 5.578 -14.579 10.424 1.00 25.14 H new ATOM 1686 N HIS A 111 3.829 -14.371 14.582 1.00 23.23 N ATOM 1687 CA HIS A 111 4.580 -14.054 15.791 1.00 44.00 C ATOM 1688 C HIS A 111 4.690 -15.275 16.699 1.00 31.44 C ATOM 1689 O HIS A 111 3.682 -15.825 17.141 1.00 65.24 O ATOM 1690 CB HIS A 111 3.912 -12.903 16.544 1.00 73.32 C ATOM 1691 CG HIS A 111 4.853 -12.134 17.420 1.00 30.21 C ATOM 1692 ND1 HIS A 111 4.814 -10.761 17.543 1.00 10.12 N ATOM 1693 CD2 HIS A 111 5.861 -12.554 18.220 1.00 11.43 C ATOM 1694 CE1 HIS A 111 5.759 -10.370 18.378 1.00 45.23 C ATOM 1695 NE2 HIS A 111 6.408 -11.438 18.804 1.00 41.21 N ATOM 0 H HIS A 111 3.034 -13.757 14.406 1.00 23.23 H new ATOM 0 HA HIS A 111 5.585 -13.751 15.496 1.00 44.00 H new ATOM 0 HB2 HIS A 111 3.461 -12.221 15.823 1.00 73.32 H new ATOM 0 HB3 HIS A 111 3.103 -13.301 17.156 1.00 73.32 H new ATOM 0 HD2 HIS A 111 6.176 -13.576 18.371 1.00 11.43 H new ATOM 0 HE1 HIS A 111 5.966 -9.349 18.664 1.00 45.23 H new ATOM 0 HE2 HIS A 111 7.189 -11.435 19.460 1.00 41.21 H new ATOM 1703 N HIS A 112 5.921 -15.696 16.969 1.00 54.25 N ATOM 1704 CA HIS A 112 6.163 -16.853 17.824 1.00 72.12 C ATOM 1705 C HIS A 112 5.728 -16.570 19.259 1.00 14.32 C ATOM 1706 O HIS A 112 5.880 -15.454 19.756 1.00 13.43 O ATOM 1707 CB HIS A 112 7.644 -17.236 17.794 1.00 24.33 C ATOM 1708 CG HIS A 112 7.909 -18.550 17.127 1.00 1.13 C ATOM 1709 ND1 HIS A 112 7.481 -19.755 17.641 1.00 31.51 N ATOM 1710 CD2 HIS A 112 8.563 -18.844 15.979 1.00 11.42 C ATOM 1711 CE1 HIS A 112 7.861 -20.734 16.839 1.00 24.33 C ATOM 1712 NE2 HIS A 112 8.520 -20.207 15.822 1.00 25.00 N ATOM 0 H HIS A 112 6.766 -15.254 16.608 1.00 54.25 H new ATOM 0 HA HIS A 112 5.572 -17.685 17.441 1.00 72.12 H new ATOM 0 HB2 HIS A 112 8.202 -16.456 17.276 1.00 24.33 H new ATOM 0 HB3 HIS A 112 8.022 -17.274 18.816 1.00 24.33 H new ATOM 0 HD2 HIS A 112 9.032 -18.137 15.310 1.00 11.42 H new ATOM 0 HE1 HIS A 112 7.666 -21.786 16.989 1.00 24.33 H new ATOM 0 HE2 HIS A 112 8.930 -20.728 15.047 1.00 25.00 H new ATOM 1720 N HIS A 113 5.186 -17.588 19.919 1.00 61.55 N ATOM 1721 CA HIS A 113 4.728 -17.448 21.297 1.00 31.32 C ATOM 1722 C HIS A 113 5.910 -17.395 22.260 1.00 11.23 C ATOM 1723 O HIS A 113 6.811 -18.232 22.199 1.00 71.34 O ATOM 1724 CB HIS A 113 3.803 -18.607 21.670 1.00 63.11 C ATOM 1725 CG HIS A 113 2.371 -18.201 21.839 1.00 61.01 C ATOM 1726 ND1 HIS A 113 1.344 -18.737 21.091 1.00 1.10 N ATOM 1727 CD2 HIS A 113 1.798 -17.308 22.678 1.00 25.31 C ATOM 1728 CE1 HIS A 113 0.201 -18.189 21.462 1.00 73.11 C ATOM 1729 NE2 HIS A 113 0.448 -17.318 22.423 1.00 55.04 N ATOM 0 H HIS A 113 5.053 -18.518 19.523 1.00 61.55 H new ATOM 0 HA HIS A 113 4.175 -16.512 21.376 1.00 31.32 H new ATOM 0 HB2 HIS A 113 3.866 -19.374 20.898 1.00 63.11 H new ATOM 0 HB3 HIS A 113 4.156 -19.058 22.597 1.00 63.11 H new ATOM 0 HD2 HIS A 113 2.307 -16.700 23.412 1.00 25.31 H new ATOM 0 HE1 HIS A 113 -0.771 -18.415 21.049 1.00 73.11 H new ATOM 0 HE2 HIS A 113 -0.250 -16.746 22.899 1.00 55.04 H new ATOM 1737 N HIS A 114 5.901 -16.404 23.145 1.00 45.15 N ATOM 1738 CA HIS A 114 6.974 -16.242 24.121 1.00 25.30 C ATOM 1739 C HIS A 114 6.723 -17.106 25.353 1.00 22.41 C ATOM 1740 O HIS A 114 5.816 -17.939 25.365 1.00 62.45 O ATOM 1741 CB HIS A 114 7.101 -14.774 24.531 1.00 71.12 C ATOM 1742 CG HIS A 114 8.516 -14.290 24.594 1.00 13.24 C ATOM 1743 ND1 HIS A 114 9.423 -14.479 23.572 1.00 32.44 N ATOM 1744 CD2 HIS A 114 9.181 -13.619 25.563 1.00 65.40 C ATOM 1745 CE1 HIS A 114 10.583 -13.947 23.911 1.00 55.01 C ATOM 1746 NE2 HIS A 114 10.463 -13.418 25.114 1.00 62.45 N ATOM 0 H HIS A 114 5.164 -15.702 23.207 1.00 45.15 H new ATOM 0 HA HIS A 114 7.906 -16.564 23.657 1.00 25.30 H new ATOM 0 HB2 HIS A 114 6.546 -14.158 23.823 1.00 71.12 H new ATOM 0 HB3 HIS A 114 6.635 -14.636 25.507 1.00 71.12 H new ATOM 0 HD2 HIS A 114 8.778 -13.301 26.513 1.00 65.40 H new ATOM 0 HE1 HIS A 114 11.478 -13.945 23.306 1.00 55.01 H new ATOM 0 HE2 HIS A 114 11.202 -12.938 25.627 1.00 62.45 H new ATOM 1754 N HIS A 115 7.532 -16.902 26.388 1.00 32.43 N ATOM 1755 CA HIS A 115 7.398 -17.663 27.625 1.00 74.20 C ATOM 1756 C HIS A 115 6.136 -17.255 28.380 1.00 33.52 C ATOM 1757 O HIS A 115 5.405 -18.104 28.890 1.00 64.51 O ATOM 1758 CB HIS A 115 8.626 -17.456 28.512 1.00 13.44 C ATOM 1759 CG HIS A 115 9.315 -18.731 28.888 1.00 71.42 C ATOM 1760 ND1 HIS A 115 8.878 -19.550 29.908 1.00 75.50 N ATOM 1761 CD2 HIS A 115 10.415 -19.330 28.374 1.00 5.04 C ATOM 1762 CE1 HIS A 115 9.681 -20.595 30.006 1.00 71.02 C ATOM 1763 NE2 HIS A 115 10.621 -20.485 29.086 1.00 13.24 N ATOM 0 H HIS A 115 8.287 -16.216 26.394 1.00 32.43 H new ATOM 0 HA HIS A 115 7.320 -18.719 27.366 1.00 74.20 H new ATOM 0 HB2 HIS A 115 9.334 -16.809 27.993 1.00 13.44 H new ATOM 0 HB3 HIS A 115 8.324 -16.934 29.420 1.00 13.44 H new ATOM 0 HD2 HIS A 115 11.018 -18.966 27.555 1.00 5.04 H new ATOM 0 HE1 HIS A 115 9.585 -21.402 30.718 1.00 71.02 H new ATOM 0 HE2 HIS A 115 11.378 -21.151 28.930 1.00 13.24 H new ATOM 1771 N HIS A 116 5.888 -15.952 28.446 1.00 0.01 N ATOM 1772 CA HIS A 116 4.714 -15.432 29.139 1.00 30.12 C ATOM 1773 C HIS A 116 3.454 -15.637 28.303 1.00 75.32 C ATOM 1774 O HIS A 116 2.447 -16.100 28.837 1.00 13.04 O ATOM 1775 CB HIS A 116 4.896 -13.946 29.450 1.00 12.10 C ATOM 1776 CG HIS A 116 3.941 -13.427 30.481 1.00 73.44 C ATOM 1777 ND1 HIS A 116 3.772 -12.085 30.743 1.00 21.41 N ATOM 1778 CD2 HIS A 116 3.100 -14.082 31.316 1.00 20.30 C ATOM 1779 CE1 HIS A 116 2.869 -11.935 31.696 1.00 50.13 C ATOM 1780 NE2 HIS A 116 2.445 -13.132 32.060 1.00 50.43 N ATOM 0 H HIS A 116 6.483 -15.236 28.029 1.00 0.01 H new ATOM 0 HA HIS A 116 4.602 -15.981 30.074 1.00 30.12 H new ATOM 0 HB2 HIS A 116 5.916 -13.778 29.795 1.00 12.10 H new ATOM 0 HB3 HIS A 116 4.772 -13.373 28.531 1.00 12.10 H new ATOM 0 HD2 HIS A 116 2.969 -15.152 31.384 1.00 20.30 H new ATOM 0 HE1 HIS A 116 2.535 -10.994 32.107 1.00 50.13 H new ATOM 0 HE2 HIS A 116 1.745 -13.320 32.777 1.00 50.43 H new TER 1788 HIS A 116 HETATM 1789 C1 B6D A 117 25.966 31.066 4.530 1.00 44.33 C HETATM 1790 N2 B6D A 117 26.805 28.826 3.956 1.00 44.35 N HETATM 1791 C3 B6D A 117 27.061 29.649 6.302 1.00 31.32 C HETATM 1792 C4 B6D A 117 27.321 30.918 7.136 1.00 23.43 C HETATM 1793 C5 B6D A 117 26.273 32.006 6.824 1.00 51.30 C HETATM 1794 C6 B6D A 117 26.574 33.357 7.472 1.00 21.20 C HETATM 1795 C7 B6D A 117 27.500 28.519 2.811 1.00 11.44 C HETATM 1796 C8 B6D A 117 27.012 27.266 2.043 1.00 34.10 C HETATM 1797 C9 B6D A 117 27.829 30.831 10.966 1.00 2.24 C HETATM 1798 C2 B6D A 117 27.051 30.008 4.798 1.00 54.03 C HETATM 1799 O7 B6D A 117 28.459 29.154 2.408 1.00 31.53 O HETATM 1800 N4 B6D A 117 27.308 30.606 8.571 1.00 71.12 N HETATM 1801 C10 B6D A 117 28.110 31.219 9.502 1.00 1.14 C HETATM 1802 O10 B6D A 117 28.975 32.033 9.223 1.00 35.42 O HETATM 1803 O5 B6D A 117 26.244 32.255 5.363 1.00 20.41 O HETATM 1804 O3 B6D A 117 28.140 28.683 6.571 1.00 55.33 O HETATM 0 HN4 B6D A 117 26.662 29.888 8.897 1.00 71.12 H new HETATM 0 HN2 B6D A 117 26.064 28.187 4.244 1.00 44.35 H new HETATM 0 H9B B6D A 117 26.802 31.092 11.221 1.00 2.24 H new HETATM 0 H9A B6D A 117 27.972 29.758 11.092 1.00 2.24 H new HETATM 0 H9 B6D A 117 28.514 31.368 11.623 1.00 2.24 H new HETATM 0 H8B B6D A 117 27.087 26.391 2.689 1.00 34.10 H new HETATM 0 H8A B6D A 117 25.974 27.406 1.741 1.00 34.10 H new HETATM 0 H8 B6D A 117 27.631 27.118 1.158 1.00 34.10 H new HETATM 0 H6B B6D A 117 26.607 33.242 8.555 1.00 21.20 H new HETATM 0 H6A B6D A 117 27.537 33.725 7.117 1.00 21.20 H new HETATM 0 H6 B6D A 117 25.793 34.070 7.207 1.00 21.20 H new HETATM 0 H5 B6D A 117 25.331 31.625 7.219 1.00 51.30 H new HETATM 0 H4 B6D A 117 28.307 31.298 6.867 1.00 23.43 H new HETATM 0 H3 B6D A 117 26.096 29.218 6.570 1.00 31.32 H new HETATM 0 H2 B6D A 117 28.034 30.403 4.541 1.00 54.03 H new HETATM 1821 C1 A2G A 118 27.730 27.456 7.303 1.00 54.13 C HETATM 1822 C2 A2G A 118 28.934 26.906 8.084 1.00 70.01 C HETATM 1823 C3 A2G A 118 30.056 26.586 7.078 1.00 23.00 C HETATM 1824 C4 A2G A 118 29.574 25.478 6.044 1.00 33.52 C HETATM 1825 C5 A2G A 118 28.271 25.906 5.402 1.00 40.24 C HETATM 1826 C6 A2G A 118 27.621 24.916 4.425 1.00 73.34 C HETATM 1827 C7 A2G A 118 29.873 27.430 10.342 1.00 34.42 C HETATM 1828 C8 A2G A 118 30.354 28.557 11.276 1.00 71.53 C HETATM 1829 O A2G A 118 27.265 26.385 6.390 1.00 73.15 O HETATM 1830 O3 A2G A 118 31.254 26.190 7.755 1.00 5.43 O HETATM 1831 O4 A2G A 118 29.333 24.227 6.784 1.00 72.35 O HETATM 1832 O6 A2G A 118 26.204 25.113 4.372 1.00 51.13 O HETATM 1833 O7 A2G A 118 29.984 26.259 10.668 1.00 3.32 O HETATM 1834 N2 A2G A 118 29.348 27.841 9.140 1.00 75.13 N HETATM 0 HO3 A2G A 118 31.951 25.990 7.096 1.00 5.43 H new HETATM 0 HN2 A2G A 118 29.241 28.841 8.973 1.00 75.13 H new HETATM 0 H8B A2G A 118 31.136 29.132 10.780 1.00 71.53 H new HETATM 0 H8A A2G A 118 29.517 29.214 11.515 1.00 71.53 H new HETATM 0 H8 A2G A 118 30.749 28.124 12.195 1.00 71.53 H new HETATM 0 H6 A2G A 118 27.840 23.894 4.736 1.00 73.34 H new HETATM 0 H5 A2G A 118 28.599 26.740 4.781 1.00 40.24 H new HETATM 0 H4 A2G A 118 30.335 25.341 5.275 1.00 33.52 H new HETATM 0 H3 A2G A 118 30.286 27.491 6.516 1.00 23.00 H new HETATM 0 H2 A2G A 118 28.669 25.985 8.603 1.00 70.01 H new HETATM 0 H15 A2G A 118 25.928 25.703 5.104 1.00 51.13 H new HETATM 0 H14 A2G A 118 28.048 25.045 3.431 1.00 73.34 H new HETATM 1848 C1 A2G A 119 29.782 22.986 6.102 1.00 52.42 C HETATM 1849 C2 A2G A 119 28.931 21.803 6.588 1.00 4.25 C HETATM 1850 C3 A2G A 119 29.108 21.676 8.113 1.00 74.45 C HETATM 1851 C4 A2G A 119 30.630 21.385 8.472 1.00 10.43 C HETATM 1852 C5 A2G A 119 31.518 22.430 7.831 1.00 11.41 C HETATM 1853 C6 A2G A 119 33.032 22.260 8.014 1.00 50.41 C HETATM 1854 C7 A2G A 119 26.748 20.909 5.758 1.00 22.32 C HETATM 1855 C8 A2G A 119 25.325 21.282 5.300 1.00 32.34 C HETATM 1856 O A2G A 119 31.199 22.663 6.394 1.00 54.04 O HETATM 1857 O3 A2G A 119 28.238 20.672 8.649 1.00 10.31 O HETATM 1858 O4 A2G A 119 30.993 20.068 7.917 1.00 11.34 O HETATM 1859 O6 A2G A 119 33.699 23.524 7.928 1.00 33.32 O HETATM 1860 O7 A2G A 119 27.120 19.747 5.756 1.00 24.04 O HETATM 1861 N2 A2G A 119 27.528 21.960 6.178 1.00 33.13 N HETATM 0 HO3 A2G A 119 28.370 20.609 9.618 1.00 10.31 H new HETATM 0 HN2 A2G A 119 27.114 22.892 6.207 1.00 33.13 H new HETATM 0 H8B A2G A 119 24.789 21.753 6.124 1.00 32.34 H new HETATM 0 H8A A2G A 119 25.383 21.976 4.462 1.00 32.34 H new HETATM 0 H8 A2G A 119 24.795 20.382 4.990 1.00 32.34 H new HETATM 0 H6 A2G A 119 33.422 21.585 7.252 1.00 50.41 H new HETATM 0 H5 A2G A 119 31.262 23.317 8.411 1.00 11.41 H new HETATM 0 H4 A2G A 119 30.761 21.406 9.554 1.00 10.43 H new HETATM 0 H3 A2G A 119 28.830 22.624 8.574 1.00 74.45 H new HETATM 0 H2 A2G A 119 29.265 20.874 6.126 1.00 4.25 H new HETATM 0 H15 A2G A 119 34.663 23.394 8.049 1.00 33.32 H new HETATM 0 H14 A2G A 119 33.237 21.801 8.981 1.00 50.41 H new HETATM 1875 C1 A2G A 120 31.692 19.153 8.855 1.00 11.13 C HETATM 1876 C2 A2G A 120 32.348 18.015 8.057 1.00 34.12 C HETATM 1877 C3 A2G A 120 31.243 17.263 7.291 1.00 3.03 C HETATM 1878 C4 A2G A 120 30.196 16.631 8.307 1.00 2.12 C HETATM 1879 C5 A2G A 120 29.680 17.702 9.246 1.00 34.53 C HETATM 1880 C6 A2G A 120 28.709 17.249 10.346 1.00 4.42 C HETATM 1881 C7 A2G A 120 33.168 19.301 6.074 1.00 74.50 C HETATM 1882 C8 A2G A 120 34.416 19.865 5.369 1.00 4.12 C HETATM 1883 O A2G A 120 30.767 18.534 9.834 1.00 31.24 O HETATM 1884 O3 A2G A 120 31.803 16.270 6.425 1.00 3.22 O HETATM 1885 O4 A2G A 120 30.889 15.609 9.111 1.00 53.22 O HETATM 1886 O6 A2G A 120 27.852 18.326 10.738 1.00 23.54 O HETATM 1887 O7 A2G A 120 32.049 19.557 5.662 1.00 41.10 O HETATM 1888 N2 A2G A 120 33.414 18.528 7.185 1.00 25.44 N HETATM 0 HN2 A2G A 120 34.381 18.300 7.414 1.00 25.44 H new HETATM 0 H8B A2G A 120 34.973 20.494 6.063 1.00 4.12 H new HETATM 0 H8A A2G A 120 35.049 19.042 5.037 1.00 4.12 H new HETATM 0 H8 A2G A 120 34.110 20.458 4.507 1.00 4.12 H new HETATM 0 H6 A2G A 120 29.270 16.892 11.209 1.00 4.42 H new HETATM 0 H5 A2G A 120 29.079 18.311 8.571 1.00 34.53 H new HETATM 0 H4 A2G A 120 29.364 16.197 7.752 1.00 2.12 H new HETATM 0 H3 A2G A 120 30.711 17.977 6.662 1.00 3.03 H new HETATM 0 H2 A2G A 120 32.839 17.310 8.727 1.00 34.12 H new HETATM 0 H15 A2G A 120 27.239 18.018 11.438 1.00 23.54 H new HETATM 0 H14 A2G A 120 28.109 16.413 9.987 1.00 4.42 H new HETATM 1901 C1 A2G A 121 30.079 14.413 9.457 1.00 64.42 C HETATM 1902 C2 A2G A 121 30.570 13.839 10.795 1.00 22.34 C HETATM 1903 C3 A2G A 121 32.055 13.459 10.641 1.00 13.14 C HETATM 1904 C4 A2G A 121 32.228 12.346 9.517 1.00 1.00 C HETATM 1905 C5 A2G A 121 31.570 12.805 8.232 1.00 42.45 C HETATM 1906 C6 A2G A 121 31.578 11.817 7.058 1.00 1.23 C HETATM 1907 C7 A2G A 121 29.280 14.645 12.781 1.00 33.45 C HETATM 1908 C8 A2G A 121 29.205 15.712 13.888 1.00 13.11 C HETATM 1909 O A2G A 121 30.195 13.339 8.442 1.00 44.24 O HETATM 1910 O3 A2G A 121 32.609 13.036 11.891 1.00 0.34 O HETATM 1911 O4 A2G A 121 31.548 11.120 9.971 1.00 14.13 O HETATM 1912 O6 A2G A 121 32.673 12.089 6.176 1.00 23.42 O HETATM 1913 O7 A2G A 121 28.464 13.740 12.731 1.00 32.43 O HETATM 1914 N2 A2G A 121 30.323 14.780 11.896 1.00 30.54 N HETATM 0 HO3 A2G A 121 33.552 12.798 11.767 1.00 0.34 H new HETATM 0 HN2 A2G A 121 30.956 15.572 12.009 1.00 30.54 H new HETATM 0 H8B A2G A 121 30.118 15.683 14.483 1.00 13.11 H new HETATM 0 H8A A2G A 121 29.098 16.698 13.436 1.00 13.11 H new HETATM 0 H8 A2G A 121 28.347 15.511 14.529 1.00 13.11 H new HETATM 0 H6 A2G A 121 30.638 11.887 6.511 1.00 1.23 H new HETATM 0 H5 A2G A 121 32.234 13.613 7.924 1.00 42.45 H new HETATM 0 H4 A2G A 121 33.289 12.166 9.342 1.00 1.00 H new HETATM 0 H3 A2G A 121 32.608 14.344 10.325 1.00 13.14 H new HETATM 0 H2 A2G A 121 30.012 12.940 11.055 1.00 22.34 H new HETATM 0 H15 A2G A 121 32.663 11.448 5.435 1.00 23.42 H new HETATM 0 H14 A2G A 121 31.653 10.797 7.435 1.00 1.23 H new HETATM 1928 C1 A2G A 122 32.313 9.861 9.783 1.00 35.40 C HETATM 1929 C2 A2G A 122 31.334 8.678 9.719 1.00 11.14 C HETATM 1930 C3 A2G A 122 30.540 8.636 11.039 1.00 10.54 C HETATM 1931 C4 A2G A 122 31.525 8.415 12.269 1.00 24.42 C HETATM 1932 C5 A2G A 122 32.626 9.454 12.241 1.00 62.44 C HETATM 1933 C6 A2G A 122 33.711 9.343 13.321 1.00 74.20 C HETATM 1934 C7 A2G A 122 30.792 8.172 7.330 1.00 11.32 C HETATM 1935 C8 A2G A 122 29.720 8.285 6.231 1.00 2.34 C HETATM 1936 O A2G A 122 33.254 9.600 10.899 1.00 25.25 O HETATM 1937 O3 A2G A 122 29.519 7.634 10.992 1.00 45.42 O HETATM 1938 O4 A2G A 122 32.143 7.083 12.135 1.00 12.34 O HETATM 1939 O6 A2G A 122 34.313 10.617 13.567 1.00 44.03 O HETATM 1940 O7 A2G A 122 31.834 7.570 7.126 1.00 1.32 O HETATM 1941 N2 A2G A 122 30.477 8.766 8.528 1.00 65.04 N HETATM 0 HO4 A2G A 122 32.954 7.152 11.589 1.00 12.34 H new HETATM 0 HO3 A2G A 122 29.030 7.625 11.841 1.00 45.42 H new HETATM 0 HN2 A2G A 122 29.607 9.294 8.594 1.00 65.04 H new HETATM 0 H8B A2G A 122 28.798 7.816 6.573 1.00 2.34 H new HETATM 0 H8A A2G A 122 29.533 9.336 6.012 1.00 2.34 H new HETATM 0 H8 A2G A 122 30.070 7.783 5.329 1.00 2.34 H new HETATM 0 H6 A2G A 122 34.473 8.630 13.006 1.00 74.20 H new HETATM 0 H5 A2G A 122 32.074 10.361 12.487 1.00 62.44 H new HETATM 0 H4 A2G A 122 30.967 8.498 13.202 1.00 24.42 H new HETATM 0 H3 A2G A 122 30.042 9.596 11.177 1.00 10.54 H new HETATM 0 H2 A2G A 122 31.875 7.737 9.616 1.00 11.14 H new HETATM 0 H15 A2G A 122 35.001 10.526 14.259 1.00 44.03 H new HETATM 0 H14 A2G A 122 33.275 8.957 14.243 1.00 74.20 H new HETATM 1955 C2 BGC A 123 31.810 14.991 4.338 1.00 11.10 C HETATM 1956 C3 BGC A 123 30.995 14.148 3.335 1.00 14.32 C HETATM 1957 C4 BGC A 123 29.833 13.388 4.000 1.00 62.43 C HETATM 1958 C5 BGC A 123 28.978 14.332 4.864 1.00 44.33 C HETATM 1959 C6 BGC A 123 27.814 13.663 5.608 1.00 32.04 C HETATM 1960 C1 BGC A 123 30.940 15.778 5.340 1.00 53.42 C HETATM 1961 O2 BGC A 123 32.587 15.944 3.593 1.00 13.11 O HETATM 1962 O3 BGC A 123 31.886 13.181 2.748 1.00 62.44 O HETATM 1963 O4 BGC A 123 28.995 12.847 2.963 1.00 71.13 O HETATM 1964 O5 BGC A 123 29.880 14.907 5.883 1.00 63.22 O HETATM 1965 O6 BGC A 123 28.050 13.767 7.020 1.00 2.14 O HETATM 0 H6C2 BGC A 123 26.872 14.144 5.346 1.00 32.04 H new HETATM 0 H6C1 BGC A 123 27.730 12.616 5.315 1.00 32.04 H new HETATM 0 HD BGC A 123 28.455 12.115 3.327 1.00 71.13 H new HETATM 0 HC BGC A 123 31.393 12.629 2.106 1.00 62.44 H new HETATM 0 HB BGC A 123 33.113 16.493 4.212 1.00 13.11 H new HETATM 0 H6 BGC A 123 29.012 13.854 7.185 1.00 2.14 H new HETATM 0 H5 BGC A 123 28.529 15.060 4.188 1.00 44.33 H new HETATM 0 H4 BGC A 123 30.244 12.603 4.635 1.00 62.43 H new HETATM 0 H3 BGC A 123 30.566 14.825 2.597 1.00 14.32 H new HETATM 0 H2 BGC A 123 32.422 14.296 4.913 1.00 11.10 H new