USER MOD reduce.3.24.130724 H: found=0, std=0, add=1158, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1158 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 126 SER OG : rot 68:sc= 0.606 USER MOD Set 1.2: A 131 HIS : no HD1:sc= 0 X(o=0.61,f=0.61) USER MOD Set 2.1: A 62 GLN : amide:sc= 0.612 K(o=1.3,f=-3.6) USER MOD Set 2.2: A 65 LYS NZ :NH3+ 177:sc= 0.696 (180deg=0) USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0864 (180deg=-0.454) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.0342 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -142:sc= 2.22 (180deg=0.068) USER MOD Single : A 8 ASN : amide:sc= 0.433 X(o=0.43,f=0) USER MOD Single : A 9 THR OG1 : rot 40:sc= -0.0166 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 11 ASN : amide:sc= -0.0281 K(o=-0.028,f=-2.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= 0.476 (180deg=0.401) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 147:sc= -0.102 (180deg=-1.63!) USER MOD Single : A 24 ASN : amide:sc= -0.108 K(o=-0.11,f=-2.3!) USER MOD Single : A 25 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.036) USER MOD Single : A 27 TYR OH : rot 47:sc= 0.339 USER MOD Single : A 28 GLN : amide:sc= -0.512 K(o=-0.51,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -120:sc= 0.156 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 167:sc= 0.536 (180deg=0.346) USER MOD Single : A 42 MET CE :methyl -111:sc= -0.0251 (180deg=-2.4!) USER MOD Single : A 43 LYS NZ :NH3+ 135:sc= -0.2 (180deg=-1.26) USER MOD Single : A 44 LYS NZ :NH3+ -171:sc=-0.00879 (180deg=-0.0957) USER MOD Single : A 49 LYS NZ :NH3+ -172:sc=-0.00037 (180deg=-0.101) USER MOD Single : A 50 ASN : amide:sc=-0.00172 K(o=-0.0017,f=-1.4) USER MOD Single : A 53 LYS NZ :NH3+ 147:sc= 1.22 (180deg=0.251) USER MOD Single : A 58 SER OG : rot -91:sc= 0.0968 USER MOD Single : A 59 ASN : amide:sc= -2.97! C(o=-3!,f=-3.7!) USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= 0.119 (180deg=0.0849) USER MOD Single : A 67 MET CE :methyl -132:sc= -1.21 (180deg=-4.62!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -141:sc= 0.842 USER MOD Single : A 77 LYS NZ :NH3+ -100:sc= 0.051 (180deg=-0.349) USER MOD Single : A 83 GLN : amide:sc= -1.17 K(o=-1.2,f=-5.1!) USER MOD Single : A 85 GLN : amide:sc=-0.00208 X(o=-0.0021,f=-0.0021) USER MOD Single : A 88 ASN : amide:sc= 0.159 X(o=0.16,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -167:sc= 0.981 (180deg=0.617) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0134 X(o=-0.013,f=-0.24) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -172:sc= 1.13 (180deg=1.05) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 150:sc= 0.595 (180deg=-1.21) USER MOD Single : A 121 MET CE :methyl -156:sc= -1.74 (180deg=-3.05!) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 LYS NZ :NH3+ -123:sc= 0.844 (180deg=-0.0201) USER MOD Single : A 129 HIS : no HD1:sc= -0.0148 X(o=-0.015,f=-0.0033) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 134 HIS : no HE2:sc= -0.643 K(o=-0.64,f=-3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.742 8.364 16.039 1.00 2.02 N ATOM 2 CA MET A 1 2.572 7.821 14.941 1.00 2.43 C ATOM 3 C MET A 1 2.203 6.362 14.685 1.00 45.43 C ATOM 4 O MET A 1 1.960 5.632 15.630 1.00 64.53 O ATOM 5 CB MET A 1 4.081 7.912 15.301 1.00 23.03 C ATOM 6 CG MET A 1 5.045 7.269 14.274 1.00 33.13 C ATOM 7 SD MET A 1 6.752 7.200 14.852 1.00 71.44 S ATOM 8 CE MET A 1 7.077 8.929 15.188 1.00 3.44 C ATOM 0 H1 MET A 1 2.330 8.958 16.658 1.00 2.02 H new ATOM 0 H2 MET A 1 0.971 8.936 15.641 1.00 2.02 H new ATOM 0 H3 MET A 1 1.341 7.580 16.592 1.00 2.02 H new ATOM 0 HA MET A 1 2.385 8.411 14.044 1.00 2.43 H new ATOM 0 HB2 MET A 1 4.348 8.963 15.417 1.00 23.03 H new ATOM 0 HB3 MET A 1 4.236 7.435 16.269 1.00 23.03 H new ATOM 0 HG2 MET A 1 4.704 6.259 14.047 1.00 33.13 H new ATOM 0 HG3 MET A 1 5.005 7.835 13.344 1.00 33.13 H new ATOM 0 HE1 MET A 1 8.149 9.080 15.311 1.00 3.44 H new ATOM 0 HE2 MET A 1 6.718 9.535 14.356 1.00 3.44 H new ATOM 0 HE3 MET A 1 6.561 9.225 16.101 1.00 3.44 H new ATOM 20 N LYS A 2 2.123 5.979 13.402 1.00 55.32 N ATOM 21 CA LYS A 2 2.103 4.579 12.921 1.00 30.52 C ATOM 22 C LYS A 2 1.956 4.624 11.401 1.00 32.25 C ATOM 23 O LYS A 2 1.048 5.275 10.871 1.00 24.32 O ATOM 24 CB LYS A 2 1.006 3.686 13.583 1.00 13.23 C ATOM 25 CG LYS A 2 -0.417 4.273 13.572 1.00 24.41 C ATOM 26 CD LYS A 2 -1.362 3.547 14.550 1.00 2.11 C ATOM 27 CE LYS A 2 -1.617 2.087 14.169 1.00 13.22 C ATOM 28 NZ LYS A 2 -2.397 1.391 15.222 1.00 21.11 N ATOM 0 H LYS A 2 2.068 6.655 12.640 1.00 55.32 H new ATOM 0 HA LYS A 2 3.037 4.099 13.214 1.00 30.52 H new ATOM 0 HB2 LYS A 2 0.988 2.723 13.072 1.00 13.23 H new ATOM 0 HB3 LYS A 2 1.293 3.493 14.617 1.00 13.23 H new ATOM 0 HG2 LYS A 2 -0.372 5.331 13.832 1.00 24.41 H new ATOM 0 HG3 LYS A 2 -0.825 4.210 12.563 1.00 24.41 H new ATOM 0 HD2 LYS A 2 -0.936 3.585 15.553 1.00 2.11 H new ATOM 0 HD3 LYS A 2 -2.313 4.078 14.587 1.00 2.11 H new ATOM 0 HE2 LYS A 2 -2.157 2.043 13.223 1.00 13.22 H new ATOM 0 HE3 LYS A 2 -0.666 1.576 14.018 1.00 13.22 H new ATOM 0 HZ1 LYS A 2 -2.048 0.417 15.326 1.00 21.11 H new ATOM 0 HZ2 LYS A 2 -2.289 1.895 16.125 1.00 21.11 H new ATOM 0 HZ3 LYS A 2 -3.402 1.372 14.954 1.00 21.11 H new ATOM 42 N ILE A 3 2.880 3.969 10.711 1.00 5.41 N ATOM 43 CA ILE A 3 3.060 4.116 9.267 1.00 3.20 C ATOM 44 C ILE A 3 2.470 2.901 8.557 1.00 30.34 C ATOM 45 O ILE A 3 2.791 1.762 8.914 1.00 43.32 O ATOM 46 CB ILE A 3 4.583 4.274 8.926 1.00 63.05 C ATOM 47 CG1 ILE A 3 5.190 5.435 9.783 1.00 11.31 C ATOM 48 CG2 ILE A 3 4.795 4.515 7.408 1.00 13.00 C ATOM 49 CD1 ILE A 3 6.693 5.535 9.741 1.00 72.14 C ATOM 0 H ILE A 3 3.534 3.313 11.139 1.00 5.41 H new ATOM 0 HA ILE A 3 2.541 5.011 8.924 1.00 3.20 H new ATOM 0 HB ILE A 3 5.102 3.348 9.174 1.00 63.05 H new ATOM 0 HG12 ILE A 3 4.768 6.380 9.440 1.00 11.31 H new ATOM 0 HG13 ILE A 3 4.878 5.304 10.819 1.00 11.31 H new ATOM 0 HG21 ILE A 3 5.860 4.621 7.202 1.00 13.00 H new ATOM 0 HG22 ILE A 3 4.399 3.669 6.846 1.00 13.00 H new ATOM 0 HG23 ILE A 3 4.275 5.425 7.108 1.00 13.00 H new ATOM 0 HD11 ILE A 3 7.020 6.367 10.364 1.00 72.14 H new ATOM 0 HD12 ILE A 3 7.130 4.609 10.114 1.00 72.14 H new ATOM 0 HD13 ILE A 3 7.018 5.701 8.714 1.00 72.14 H new ATOM 61 N LEU A 4 1.584 3.155 7.584 1.00 53.03 N ATOM 62 CA LEU A 4 0.936 2.115 6.791 1.00 71.44 C ATOM 63 C LEU A 4 1.497 2.210 5.366 1.00 35.23 C ATOM 64 O LEU A 4 1.192 3.165 4.636 1.00 42.15 O ATOM 65 CB LEU A 4 -0.612 2.333 6.807 1.00 42.32 C ATOM 66 CG LEU A 4 -1.257 2.593 8.214 1.00 73.10 C ATOM 67 CD1 LEU A 4 -2.765 2.849 8.107 1.00 14.53 C ATOM 68 CD2 LEU A 4 -0.970 1.451 9.209 1.00 72.44 C ATOM 0 H LEU A 4 1.298 4.100 7.327 1.00 53.03 H new ATOM 0 HA LEU A 4 1.132 1.123 7.198 1.00 71.44 H new ATOM 0 HB2 LEU A 4 -0.846 3.179 6.160 1.00 42.32 H new ATOM 0 HB3 LEU A 4 -1.087 1.455 6.369 1.00 42.32 H new ATOM 0 HG LEU A 4 -0.786 3.495 8.605 1.00 73.10 H new ATOM 0 HD11 LEU A 4 -3.176 3.025 9.101 1.00 14.53 H new ATOM 0 HD12 LEU A 4 -2.942 3.724 7.481 1.00 14.53 H new ATOM 0 HD13 LEU A 4 -3.251 1.981 7.662 1.00 14.53 H new ATOM 0 HD21 LEU A 4 -1.437 1.678 10.167 1.00 72.44 H new ATOM 0 HD22 LEU A 4 -1.376 0.518 8.819 1.00 72.44 H new ATOM 0 HD23 LEU A 4 0.107 1.349 9.345 1.00 72.44 H new ATOM 80 N ILE A 5 2.351 1.248 4.989 1.00 13.25 N ATOM 81 CA ILE A 5 2.920 1.173 3.636 1.00 21.12 C ATOM 82 C ILE A 5 1.869 0.520 2.726 1.00 0.44 C ATOM 83 O ILE A 5 1.654 -0.697 2.788 1.00 14.53 O ATOM 84 CB ILE A 5 4.266 0.346 3.601 1.00 23.32 C ATOM 85 CG1 ILE A 5 5.296 0.872 4.658 1.00 64.24 C ATOM 86 CG2 ILE A 5 4.886 0.339 2.175 1.00 73.43 C ATOM 87 CD1 ILE A 5 5.800 2.281 4.416 1.00 70.05 C ATOM 0 H ILE A 5 2.666 0.503 5.610 1.00 13.25 H new ATOM 0 HA ILE A 5 3.166 2.178 3.293 1.00 21.12 H new ATOM 0 HB ILE A 5 4.020 -0.682 3.866 1.00 23.32 H new ATOM 0 HG12 ILE A 5 4.834 0.832 5.644 1.00 64.24 H new ATOM 0 HG13 ILE A 5 6.150 0.195 4.679 1.00 64.24 H new ATOM 0 HG21 ILE A 5 5.811 -0.238 2.183 1.00 73.43 H new ATOM 0 HG22 ILE A 5 4.183 -0.112 1.475 1.00 73.43 H new ATOM 0 HG23 ILE A 5 5.099 1.362 1.866 1.00 73.43 H new ATOM 0 HD11 ILE A 5 6.507 2.554 5.199 1.00 70.05 H new ATOM 0 HD12 ILE A 5 6.296 2.328 3.447 1.00 70.05 H new ATOM 0 HD13 ILE A 5 4.960 2.975 4.428 1.00 70.05 H new ATOM 99 N LEU A 6 1.198 1.335 1.909 1.00 0.24 N ATOM 100 CA LEU A 6 0.053 0.891 1.107 1.00 72.11 C ATOM 101 C LEU A 6 0.593 0.373 -0.233 1.00 15.03 C ATOM 102 O LEU A 6 1.328 1.079 -0.910 1.00 14.12 O ATOM 103 CB LEU A 6 -0.956 2.070 0.892 1.00 51.24 C ATOM 104 CG LEU A 6 -2.485 1.707 0.862 1.00 75.52 C ATOM 105 CD1 LEU A 6 -2.815 0.541 -0.101 1.00 63.23 C ATOM 106 CD2 LEU A 6 -2.999 1.426 2.284 1.00 12.22 C ATOM 0 H LEU A 6 1.432 2.320 1.784 1.00 0.24 H new ATOM 0 HA LEU A 6 -0.488 0.096 1.620 1.00 72.11 H new ATOM 0 HB2 LEU A 6 -0.797 2.800 1.686 1.00 51.24 H new ATOM 0 HB3 LEU A 6 -0.706 2.562 -0.048 1.00 51.24 H new ATOM 0 HG LEU A 6 -3.009 2.576 0.466 1.00 75.52 H new ATOM 0 HD11 LEU A 6 -3.886 0.340 -0.075 1.00 63.23 H new ATOM 0 HD12 LEU A 6 -2.521 0.812 -1.115 1.00 63.23 H new ATOM 0 HD13 LEU A 6 -2.271 -0.351 0.208 1.00 63.23 H new ATOM 0 HD21 LEU A 6 -4.059 1.176 2.245 1.00 12.22 H new ATOM 0 HD22 LEU A 6 -2.445 0.591 2.713 1.00 12.22 H new ATOM 0 HD23 LEU A 6 -2.857 2.311 2.904 1.00 12.22 H new ATOM 118 N ILE A 7 0.262 -0.873 -0.590 1.00 21.30 N ATOM 119 CA ILE A 7 0.670 -1.483 -1.861 1.00 30.30 C ATOM 120 C ILE A 7 -0.550 -2.144 -2.525 1.00 74.31 C ATOM 121 O ILE A 7 -1.205 -3.000 -1.932 1.00 15.05 O ATOM 122 CB ILE A 7 1.814 -2.550 -1.661 1.00 51.13 C ATOM 123 CG1 ILE A 7 3.043 -1.921 -0.922 1.00 70.24 C ATOM 124 CG2 ILE A 7 2.236 -3.162 -3.023 1.00 61.14 C ATOM 125 CD1 ILE A 7 4.141 -2.900 -0.571 1.00 13.23 C ATOM 0 H ILE A 7 -0.299 -1.490 -0.003 1.00 21.30 H new ATOM 0 HA ILE A 7 1.065 -0.694 -2.502 1.00 30.30 H new ATOM 0 HB ILE A 7 1.425 -3.353 -1.035 1.00 51.13 H new ATOM 0 HG12 ILE A 7 3.463 -1.135 -1.550 1.00 70.24 H new ATOM 0 HG13 ILE A 7 2.694 -1.445 -0.006 1.00 70.24 H new ATOM 0 HG21 ILE A 7 3.026 -3.896 -2.863 1.00 61.14 H new ATOM 0 HG22 ILE A 7 1.377 -3.649 -3.485 1.00 61.14 H new ATOM 0 HG23 ILE A 7 2.602 -2.372 -3.679 1.00 61.14 H new ATOM 0 HD11 ILE A 7 4.949 -2.374 -0.063 1.00 13.23 H new ATOM 0 HD12 ILE A 7 3.742 -3.674 0.085 1.00 13.23 H new ATOM 0 HD13 ILE A 7 4.524 -3.359 -1.482 1.00 13.23 H new ATOM 137 N ASN A 8 -0.860 -1.702 -3.742 1.00 3.13 N ATOM 138 CA ASN A 8 -1.846 -2.330 -4.619 1.00 35.21 C ATOM 139 C ASN A 8 -1.091 -2.990 -5.760 1.00 55.12 C ATOM 140 O ASN A 8 -0.386 -2.316 -6.508 1.00 25.53 O ATOM 141 CB ASN A 8 -2.838 -1.276 -5.158 1.00 25.11 C ATOM 142 CG ASN A 8 -3.800 -1.804 -6.225 1.00 41.32 C ATOM 143 OD1 ASN A 8 -3.544 -1.683 -7.427 1.00 1.13 O ATOM 144 ND2 ASN A 8 -4.906 -2.398 -5.800 1.00 62.31 N ATOM 0 H ASN A 8 -0.423 -0.878 -4.155 1.00 3.13 H new ATOM 0 HA ASN A 8 -2.426 -3.073 -4.071 1.00 35.21 H new ATOM 0 HB2 ASN A 8 -3.419 -0.882 -4.325 1.00 25.11 H new ATOM 0 HB3 ASN A 8 -2.273 -0.442 -5.575 1.00 25.11 H new ATOM 0 HD21 ASN A 8 -5.575 -2.771 -6.473 1.00 62.31 H new ATOM 0 HD22 ASN A 8 -5.088 -2.482 -4.800 1.00 62.31 H new ATOM 151 N THR A 9 -1.200 -4.308 -5.856 1.00 33.01 N ATOM 152 CA THR A 9 -0.603 -5.089 -6.941 1.00 63.11 C ATOM 153 C THR A 9 -1.691 -5.905 -7.634 1.00 64.41 C ATOM 154 O THR A 9 -2.683 -6.278 -7.014 1.00 2.41 O ATOM 155 CB THR A 9 0.552 -6.009 -6.439 1.00 14.54 C ATOM 156 OG1 THR A 9 1.058 -6.789 -7.538 1.00 30.12 O ATOM 157 CG2 THR A 9 0.123 -6.936 -5.280 1.00 72.21 C ATOM 0 H THR A 9 -1.710 -4.875 -5.178 1.00 33.01 H new ATOM 0 HA THR A 9 -0.158 -4.396 -7.655 1.00 63.11 H new ATOM 0 HB THR A 9 1.335 -5.361 -6.045 1.00 14.54 H new ATOM 0 HG1 THR A 9 1.097 -6.232 -8.344 1.00 30.12 H new ATOM 0 HG21 THR A 9 0.969 -7.552 -4.974 1.00 72.21 H new ATOM 0 HG22 THR A 9 -0.211 -6.333 -4.436 1.00 72.21 H new ATOM 0 HG23 THR A 9 -0.693 -7.579 -5.611 1.00 72.21 H new ATOM 165 N ASN A 10 -1.531 -6.117 -8.933 1.00 51.01 N ATOM 166 CA ASN A 10 -2.462 -6.927 -9.739 1.00 71.41 C ATOM 167 C ASN A 10 -2.130 -8.437 -9.617 1.00 23.53 C ATOM 168 O ASN A 10 -2.966 -9.291 -9.922 1.00 4.44 O ATOM 169 CB ASN A 10 -2.379 -6.429 -11.211 1.00 71.22 C ATOM 170 CG ASN A 10 -3.314 -7.142 -12.202 1.00 3.43 C ATOM 171 OD1 ASN A 10 -4.399 -7.608 -11.856 1.00 22.52 O ATOM 172 ND2 ASN A 10 -2.902 -7.192 -13.460 1.00 70.12 N ATOM 0 H ASN A 10 -0.752 -5.735 -9.469 1.00 51.01 H new ATOM 0 HA ASN A 10 -3.483 -6.809 -9.375 1.00 71.41 H new ATOM 0 HB2 ASN A 10 -2.603 -5.362 -11.229 1.00 71.22 H new ATOM 0 HB3 ASN A 10 -1.352 -6.545 -11.559 1.00 71.22 H new ATOM 0 HD21 ASN A 10 -3.490 -7.626 -14.172 1.00 70.12 H new ATOM 0 HD22 ASN A 10 -1.997 -6.797 -13.716 1.00 70.12 H new ATOM 179 N ASN A 11 -0.910 -8.753 -9.140 1.00 60.54 N ATOM 180 CA ASN A 11 -0.418 -10.152 -9.050 1.00 70.54 C ATOM 181 C ASN A 11 -0.343 -10.622 -7.586 1.00 41.43 C ATOM 182 O ASN A 11 0.162 -9.903 -6.718 1.00 21.44 O ATOM 183 CB ASN A 11 0.982 -10.301 -9.716 1.00 11.55 C ATOM 184 CG ASN A 11 1.038 -9.878 -11.192 1.00 11.53 C ATOM 185 OD1 ASN A 11 0.434 -8.882 -11.603 1.00 20.41 O ATOM 186 ND2 ASN A 11 1.736 -10.651 -12.011 1.00 40.51 N ATOM 0 H ASN A 11 -0.241 -8.058 -8.808 1.00 60.54 H new ATOM 0 HA ASN A 11 -1.132 -10.778 -9.586 1.00 70.54 H new ATOM 0 HB2 ASN A 11 1.702 -9.706 -9.154 1.00 11.55 H new ATOM 0 HB3 ASN A 11 1.298 -11.341 -9.638 1.00 11.55 H new ATOM 0 HD21 ASN A 11 1.783 -10.429 -13.005 1.00 40.51 H new ATOM 0 HD22 ASN A 11 2.226 -11.468 -11.647 1.00 40.51 H new ATOM 193 N ASP A 12 -0.842 -11.851 -7.343 1.00 64.34 N ATOM 194 CA ASP A 12 -0.712 -12.560 -6.046 1.00 44.43 C ATOM 195 C ASP A 12 0.749 -12.955 -5.779 1.00 44.30 C ATOM 196 O ASP A 12 1.154 -13.127 -4.624 1.00 13.43 O ATOM 197 CB ASP A 12 -1.611 -13.819 -6.008 1.00 2.14 C ATOM 198 CG ASP A 12 -3.098 -13.473 -6.129 1.00 2.11 C ATOM 199 OD1 ASP A 12 -3.611 -13.409 -7.269 1.00 53.23 O ATOM 200 OD2 ASP A 12 -3.751 -13.220 -5.090 1.00 65.22 O ATOM 0 H ASP A 12 -1.352 -12.387 -8.045 1.00 64.34 H new ATOM 0 HA ASP A 12 -1.038 -11.874 -5.264 1.00 44.43 H new ATOM 0 HB2 ASP A 12 -1.329 -14.489 -6.820 1.00 2.14 H new ATOM 0 HB3 ASP A 12 -1.440 -14.357 -5.076 1.00 2.14 H new ATOM 205 N GLU A 13 1.519 -13.095 -6.877 1.00 30.44 N ATOM 206 CA GLU A 13 2.967 -13.361 -6.836 1.00 54.40 C ATOM 207 C GLU A 13 3.680 -12.261 -6.043 1.00 20.50 C ATOM 208 O GLU A 13 4.454 -12.543 -5.136 1.00 42.30 O ATOM 209 CB GLU A 13 3.520 -13.427 -8.278 1.00 61.23 C ATOM 210 CG GLU A 13 2.893 -14.543 -9.137 1.00 73.11 C ATOM 211 CD GLU A 13 3.062 -14.295 -10.643 1.00 2.41 C ATOM 212 OE1 GLU A 13 2.208 -13.602 -11.234 1.00 14.32 O ATOM 213 OE2 GLU A 13 4.061 -14.753 -11.231 1.00 33.14 O ATOM 0 H GLU A 13 1.148 -13.026 -7.824 1.00 30.44 H new ATOM 0 HA GLU A 13 3.146 -14.316 -6.342 1.00 54.40 H new ATOM 0 HB2 GLU A 13 3.350 -12.467 -8.766 1.00 61.23 H new ATOM 0 HB3 GLU A 13 4.599 -13.577 -8.236 1.00 61.23 H new ATOM 0 HG2 GLU A 13 3.350 -15.497 -8.876 1.00 73.11 H new ATOM 0 HG3 GLU A 13 1.832 -14.624 -8.903 1.00 73.11 H new ATOM 220 N LEU A 14 3.349 -11.002 -6.373 1.00 70.40 N ATOM 221 CA LEU A 14 3.933 -9.821 -5.718 1.00 32.35 C ATOM 222 C LEU A 14 3.622 -9.784 -4.220 1.00 1.25 C ATOM 223 O LEU A 14 4.492 -9.413 -3.447 1.00 53.35 O ATOM 224 CB LEU A 14 3.470 -8.509 -6.412 1.00 4.34 C ATOM 225 CG LEU A 14 4.359 -8.014 -7.588 1.00 73.41 C ATOM 226 CD1 LEU A 14 5.784 -7.687 -7.092 1.00 42.32 C ATOM 227 CD2 LEU A 14 4.371 -9.022 -8.762 1.00 11.13 C ATOM 0 H LEU A 14 2.670 -10.775 -7.100 1.00 70.40 H new ATOM 0 HA LEU A 14 5.015 -9.900 -5.823 1.00 32.35 H new ATOM 0 HB2 LEU A 14 2.456 -8.656 -6.785 1.00 4.34 H new ATOM 0 HB3 LEU A 14 3.422 -7.721 -5.661 1.00 4.34 H new ATOM 0 HG LEU A 14 3.923 -7.093 -7.975 1.00 73.41 H new ATOM 0 HD11 LEU A 14 6.391 -7.342 -7.929 1.00 42.32 H new ATOM 0 HD12 LEU A 14 5.735 -6.906 -6.334 1.00 42.32 H new ATOM 0 HD13 LEU A 14 6.234 -8.582 -6.662 1.00 42.32 H new ATOM 0 HD21 LEU A 14 5.003 -8.640 -9.563 1.00 11.13 H new ATOM 0 HD22 LEU A 14 4.763 -9.979 -8.416 1.00 11.13 H new ATOM 0 HD23 LEU A 14 3.356 -9.159 -9.135 1.00 11.13 H new ATOM 239 N ILE A 15 2.400 -10.206 -3.826 1.00 63.12 N ATOM 240 CA ILE A 15 1.963 -10.179 -2.411 1.00 41.13 C ATOM 241 C ILE A 15 2.946 -10.971 -1.526 1.00 2.12 C ATOM 242 O ILE A 15 3.472 -10.441 -0.540 1.00 3.40 O ATOM 243 CB ILE A 15 0.507 -10.762 -2.226 1.00 12.31 C ATOM 244 CG1 ILE A 15 -0.505 -10.039 -3.166 1.00 73.34 C ATOM 245 CG2 ILE A 15 0.048 -10.673 -0.745 1.00 24.13 C ATOM 246 CD1 ILE A 15 -1.929 -10.575 -3.096 1.00 44.25 C ATOM 0 H ILE A 15 1.697 -10.570 -4.469 1.00 63.12 H new ATOM 0 HA ILE A 15 1.951 -9.133 -2.104 1.00 41.13 H new ATOM 0 HB ILE A 15 0.534 -11.816 -2.502 1.00 12.31 H new ATOM 0 HG12 ILE A 15 -0.517 -8.978 -2.917 1.00 73.34 H new ATOM 0 HG13 ILE A 15 -0.150 -10.122 -4.193 1.00 73.34 H new ATOM 0 HG21 ILE A 15 -0.958 -11.082 -0.651 1.00 24.13 H new ATOM 0 HG22 ILE A 15 0.732 -11.244 -0.117 1.00 24.13 H new ATOM 0 HG23 ILE A 15 0.047 -9.631 -0.426 1.00 24.13 H new ATOM 0 HD11 ILE A 15 -2.563 -10.014 -3.782 1.00 44.25 H new ATOM 0 HD12 ILE A 15 -1.935 -11.629 -3.376 1.00 44.25 H new ATOM 0 HD13 ILE A 15 -2.309 -10.467 -2.080 1.00 44.25 H new ATOM 258 N LYS A 16 3.225 -12.221 -1.939 1.00 23.34 N ATOM 259 CA LYS A 16 4.088 -13.146 -1.179 1.00 71.10 C ATOM 260 C LYS A 16 5.579 -12.749 -1.265 1.00 44.12 C ATOM 261 O LYS A 16 6.313 -12.939 -0.294 1.00 44.55 O ATOM 262 CB LYS A 16 3.877 -14.609 -1.644 1.00 33.14 C ATOM 263 CG LYS A 16 4.233 -14.865 -3.122 1.00 23.22 C ATOM 264 CD LYS A 16 3.893 -16.292 -3.592 1.00 75.30 C ATOM 265 CE LYS A 16 4.296 -16.529 -5.055 1.00 50.23 C ATOM 266 NZ LYS A 16 3.860 -17.861 -5.533 1.00 43.21 N ATOM 0 H LYS A 16 2.861 -12.618 -2.805 1.00 23.34 H new ATOM 0 HA LYS A 16 3.795 -13.073 -0.132 1.00 71.10 H new ATOM 0 HB2 LYS A 16 4.480 -15.267 -1.018 1.00 33.14 H new ATOM 0 HB3 LYS A 16 2.834 -14.882 -1.481 1.00 33.14 H new ATOM 0 HG2 LYS A 16 3.700 -14.148 -3.746 1.00 23.22 H new ATOM 0 HG3 LYS A 16 5.298 -14.686 -3.268 1.00 23.22 H new ATOM 0 HD2 LYS A 16 4.403 -17.014 -2.954 1.00 75.30 H new ATOM 0 HD3 LYS A 16 2.823 -16.465 -3.478 1.00 75.30 H new ATOM 0 HE2 LYS A 16 3.857 -15.755 -5.684 1.00 50.23 H new ATOM 0 HE3 LYS A 16 5.378 -16.443 -5.153 1.00 50.23 H new ATOM 0 HZ1 LYS A 16 4.149 -17.986 -6.524 1.00 43.21 H new ATOM 0 HZ2 LYS A 16 4.299 -18.601 -4.948 1.00 43.21 H new ATOM 0 HZ3 LYS A 16 2.825 -17.933 -5.463 1.00 43.21 H new ATOM 280 N LYS A 17 6.017 -12.190 -2.426 1.00 41.14 N ATOM 281 CA LYS A 17 7.417 -11.733 -2.607 1.00 11.42 C ATOM 282 C LYS A 17 7.713 -10.534 -1.680 1.00 62.34 C ATOM 283 O LYS A 17 8.770 -10.480 -1.053 1.00 24.51 O ATOM 284 CB LYS A 17 7.722 -11.378 -4.095 1.00 22.12 C ATOM 285 CG LYS A 17 7.533 -12.558 -5.079 1.00 21.33 C ATOM 286 CD LYS A 17 8.006 -12.252 -6.526 1.00 75.55 C ATOM 287 CE LYS A 17 9.542 -12.193 -6.647 1.00 1.12 C ATOM 288 NZ LYS A 17 9.999 -11.989 -8.049 1.00 14.23 N ATOM 0 H LYS A 17 5.423 -12.047 -3.243 1.00 41.14 H new ATOM 0 HA LYS A 17 8.076 -12.557 -2.333 1.00 11.42 H new ATOM 0 HB2 LYS A 17 7.074 -10.557 -4.401 1.00 22.12 H new ATOM 0 HB3 LYS A 17 8.749 -11.019 -4.168 1.00 22.12 H new ATOM 0 HG2 LYS A 17 8.080 -13.423 -4.704 1.00 21.33 H new ATOM 0 HG3 LYS A 17 6.479 -12.834 -5.102 1.00 21.33 H new ATOM 0 HD2 LYS A 17 7.621 -13.018 -7.200 1.00 75.55 H new ATOM 0 HD3 LYS A 17 7.583 -11.301 -6.849 1.00 75.55 H new ATOM 0 HE2 LYS A 17 9.921 -11.383 -6.024 1.00 1.12 H new ATOM 0 HE3 LYS A 17 9.969 -13.119 -6.261 1.00 1.12 H new ATOM 0 HZ1 LYS A 17 11.004 -11.721 -8.051 1.00 14.23 H new ATOM 0 HZ2 LYS A 17 9.874 -12.871 -8.587 1.00 14.23 H new ATOM 0 HZ3 LYS A 17 9.438 -11.232 -8.490 1.00 14.23 H new ATOM 302 N ILE A 18 6.729 -9.613 -1.583 1.00 64.20 N ATOM 303 CA ILE A 18 6.784 -8.433 -0.690 1.00 75.31 C ATOM 304 C ILE A 18 6.808 -8.878 0.783 1.00 61.44 C ATOM 305 O ILE A 18 7.557 -8.307 1.575 1.00 2.45 O ATOM 306 CB ILE A 18 5.576 -7.442 -0.959 1.00 12.13 C ATOM 307 CG1 ILE A 18 5.707 -6.805 -2.381 1.00 4.31 C ATOM 308 CG2 ILE A 18 5.459 -6.340 0.129 1.00 63.24 C ATOM 309 CD1 ILE A 18 4.478 -6.056 -2.868 1.00 11.11 C ATOM 0 H ILE A 18 5.867 -9.668 -2.126 1.00 64.20 H new ATOM 0 HA ILE A 18 7.705 -7.891 -0.907 1.00 75.31 H new ATOM 0 HB ILE A 18 4.658 -8.028 -0.912 1.00 12.13 H new ATOM 0 HG12 ILE A 18 6.554 -6.119 -2.378 1.00 4.31 H new ATOM 0 HG13 ILE A 18 5.939 -7.595 -3.096 1.00 4.31 H new ATOM 0 HG21 ILE A 18 4.616 -5.688 -0.102 1.00 63.24 H new ATOM 0 HG22 ILE A 18 5.302 -6.805 1.102 1.00 63.24 H new ATOM 0 HG23 ILE A 18 6.377 -5.752 0.152 1.00 63.24 H new ATOM 0 HD11 ILE A 18 4.668 -5.652 -3.862 1.00 11.11 H new ATOM 0 HD12 ILE A 18 3.629 -6.738 -2.910 1.00 11.11 H new ATOM 0 HD13 ILE A 18 4.254 -5.240 -2.181 1.00 11.11 H new ATOM 321 N LYS A 19 6.026 -9.934 1.123 1.00 50.42 N ATOM 322 CA LYS A 19 6.008 -10.519 2.487 1.00 52.23 C ATOM 323 C LYS A 19 7.432 -10.923 2.942 1.00 31.34 C ATOM 324 O LYS A 19 7.762 -10.796 4.121 1.00 42.40 O ATOM 325 CB LYS A 19 5.058 -11.757 2.556 1.00 45.05 C ATOM 326 CG LYS A 19 3.544 -11.442 2.493 1.00 44.13 C ATOM 327 CD LYS A 19 2.692 -12.732 2.366 1.00 3.23 C ATOM 328 CE LYS A 19 1.173 -12.475 2.343 1.00 11.12 C ATOM 329 NZ LYS A 19 0.637 -12.135 3.682 1.00 21.35 N ATOM 0 H LYS A 19 5.398 -10.399 0.468 1.00 50.42 H new ATOM 0 HA LYS A 19 5.631 -9.752 3.163 1.00 52.23 H new ATOM 0 HB2 LYS A 19 5.306 -12.429 1.734 1.00 45.05 H new ATOM 0 HB3 LYS A 19 5.260 -12.297 3.481 1.00 45.05 H new ATOM 0 HG2 LYS A 19 3.248 -10.898 3.390 1.00 44.13 H new ATOM 0 HG3 LYS A 19 3.344 -10.789 1.644 1.00 44.13 H new ATOM 0 HD2 LYS A 19 2.976 -13.255 1.453 1.00 3.23 H new ATOM 0 HD3 LYS A 19 2.926 -13.394 3.199 1.00 3.23 H new ATOM 0 HE2 LYS A 19 0.955 -11.662 1.650 1.00 11.12 H new ATOM 0 HE3 LYS A 19 0.663 -13.361 1.965 1.00 11.12 H new ATOM 0 HZ1 LYS A 19 -0.388 -11.971 3.614 1.00 21.35 H new ATOM 0 HZ2 LYS A 19 0.820 -12.921 4.339 1.00 21.35 H new ATOM 0 HZ3 LYS A 19 1.103 -11.274 4.034 1.00 21.35 H new ATOM 343 N LYS A 20 8.259 -11.416 1.991 1.00 75.21 N ATOM 344 CA LYS A 20 9.652 -11.838 2.268 1.00 45.20 C ATOM 345 C LYS A 20 10.593 -10.608 2.335 1.00 14.13 C ATOM 346 O LYS A 20 11.476 -10.534 3.202 1.00 75.50 O ATOM 347 CB LYS A 20 10.146 -12.848 1.188 1.00 44.24 C ATOM 348 CG LYS A 20 9.149 -13.993 0.859 1.00 63.13 C ATOM 349 CD LYS A 20 8.651 -14.819 2.080 1.00 22.31 C ATOM 350 CE LYS A 20 9.680 -15.813 2.651 1.00 53.21 C ATOM 351 NZ LYS A 20 10.817 -15.158 3.353 1.00 62.02 N ATOM 0 H LYS A 20 7.982 -11.532 1.016 1.00 75.21 H new ATOM 0 HA LYS A 20 9.671 -12.337 3.237 1.00 45.20 H new ATOM 0 HB2 LYS A 20 10.363 -12.300 0.271 1.00 44.24 H new ATOM 0 HB3 LYS A 20 11.084 -13.289 1.525 1.00 44.24 H new ATOM 0 HG2 LYS A 20 8.283 -13.564 0.355 1.00 63.13 H new ATOM 0 HG3 LYS A 20 9.624 -14.673 0.152 1.00 63.13 H new ATOM 0 HD2 LYS A 20 8.355 -14.130 2.871 1.00 22.31 H new ATOM 0 HD3 LYS A 20 7.758 -15.371 1.787 1.00 22.31 H new ATOM 0 HE2 LYS A 20 9.176 -16.487 3.344 1.00 53.21 H new ATOM 0 HE3 LYS A 20 10.070 -16.426 1.838 1.00 53.21 H new ATOM 0 HZ1 LYS A 20 11.134 -15.762 4.138 1.00 62.02 H new ATOM 0 HZ2 LYS A 20 11.602 -15.017 2.686 1.00 62.02 H new ATOM 0 HZ3 LYS A 20 10.510 -14.237 3.726 1.00 62.02 H new ATOM 365 N GLU A 21 10.396 -9.664 1.382 1.00 55.25 N ATOM 366 CA GLU A 21 11.134 -8.370 1.328 1.00 63.24 C ATOM 367 C GLU A 21 11.028 -7.567 2.638 1.00 3.21 C ATOM 368 O GLU A 21 11.968 -6.869 3.019 1.00 54.03 O ATOM 369 CB GLU A 21 10.626 -7.493 0.145 1.00 10.22 C ATOM 370 CG GLU A 21 10.888 -8.085 -1.253 1.00 42.52 C ATOM 371 CD GLU A 21 12.383 -8.153 -1.644 1.00 23.40 C ATOM 372 OE1 GLU A 21 13.066 -9.151 -1.316 1.00 54.45 O ATOM 373 OE2 GLU A 21 12.883 -7.204 -2.279 1.00 0.42 O ATOM 0 H GLU A 21 9.720 -9.775 0.626 1.00 55.25 H new ATOM 0 HA GLU A 21 12.183 -8.625 1.178 1.00 63.24 H new ATOM 0 HB2 GLU A 21 9.554 -7.334 0.262 1.00 10.22 H new ATOM 0 HB3 GLU A 21 11.102 -6.514 0.205 1.00 10.22 H new ATOM 0 HG2 GLU A 21 10.467 -9.090 -1.294 1.00 42.52 H new ATOM 0 HG3 GLU A 21 10.357 -7.487 -1.994 1.00 42.52 H new ATOM 380 N VAL A 22 9.878 -7.681 3.313 1.00 33.21 N ATOM 381 CA VAL A 22 9.563 -6.877 4.517 1.00 3.00 C ATOM 382 C VAL A 22 9.614 -7.729 5.810 1.00 22.12 C ATOM 383 O VAL A 22 9.425 -7.199 6.918 1.00 73.22 O ATOM 384 CB VAL A 22 8.161 -6.186 4.347 1.00 53.45 C ATOM 385 CG1 VAL A 22 8.050 -5.509 2.958 1.00 53.23 C ATOM 386 CG2 VAL A 22 6.994 -7.169 4.564 1.00 71.43 C ATOM 0 H VAL A 22 9.137 -8.329 3.047 1.00 33.21 H new ATOM 0 HA VAL A 22 10.326 -6.106 4.619 1.00 3.00 H new ATOM 0 HB VAL A 22 8.086 -5.421 5.120 1.00 53.45 H new ATOM 0 HG11 VAL A 22 7.072 -5.037 2.860 1.00 53.23 H new ATOM 0 HG12 VAL A 22 8.829 -4.754 2.858 1.00 53.23 H new ATOM 0 HG13 VAL A 22 8.170 -6.260 2.177 1.00 53.23 H new ATOM 0 HG21 VAL A 22 6.047 -6.644 4.436 1.00 71.43 H new ATOM 0 HG22 VAL A 22 7.061 -7.979 3.838 1.00 71.43 H new ATOM 0 HG23 VAL A 22 7.047 -7.580 5.572 1.00 71.43 H new ATOM 396 N GLU A 23 9.892 -9.042 5.649 1.00 13.30 N ATOM 397 CA GLU A 23 9.982 -10.016 6.762 1.00 13.30 C ATOM 398 C GLU A 23 11.147 -9.655 7.704 1.00 54.04 C ATOM 399 O GLU A 23 11.013 -9.692 8.934 1.00 45.31 O ATOM 400 CB GLU A 23 10.177 -11.443 6.178 1.00 21.05 C ATOM 401 CG GLU A 23 10.106 -12.600 7.194 1.00 43.24 C ATOM 402 CD GLU A 23 10.353 -13.971 6.535 1.00 12.10 C ATOM 403 OE1 GLU A 23 9.404 -14.556 5.973 1.00 43.15 O ATOM 404 OE2 GLU A 23 11.510 -14.444 6.526 1.00 44.24 O ATOM 0 H GLU A 23 10.062 -9.460 4.734 1.00 13.30 H new ATOM 0 HA GLU A 23 9.059 -9.986 7.342 1.00 13.30 H new ATOM 0 HB2 GLU A 23 9.418 -11.609 5.414 1.00 21.05 H new ATOM 0 HB3 GLU A 23 11.145 -11.482 5.679 1.00 21.05 H new ATOM 0 HG2 GLU A 23 10.845 -12.438 7.979 1.00 43.24 H new ATOM 0 HG3 GLU A 23 9.127 -12.601 7.673 1.00 43.24 H new ATOM 411 N ASN A 24 12.280 -9.274 7.094 1.00 54.25 N ATOM 412 CA ASN A 24 13.498 -8.856 7.820 1.00 54.14 C ATOM 413 C ASN A 24 13.461 -7.356 8.166 1.00 25.13 C ATOM 414 O ASN A 24 14.397 -6.853 8.779 1.00 61.13 O ATOM 415 CB ASN A 24 14.774 -9.168 6.978 1.00 54.41 C ATOM 416 CG ASN A 24 14.999 -10.656 6.712 1.00 14.20 C ATOM 417 OD1 ASN A 24 14.054 -11.437 6.616 1.00 62.13 O ATOM 418 ND2 ASN A 24 16.256 -11.062 6.581 1.00 42.23 N ATOM 0 H ASN A 24 12.381 -9.246 6.079 1.00 54.25 H new ATOM 0 HA ASN A 24 13.533 -9.423 8.750 1.00 54.14 H new ATOM 0 HB2 ASN A 24 14.703 -8.646 6.024 1.00 54.41 H new ATOM 0 HB3 ASN A 24 15.645 -8.767 7.496 1.00 54.41 H new ATOM 0 HD21 ASN A 24 16.458 -12.044 6.396 1.00 42.23 H new ATOM 0 HD22 ASN A 24 17.020 -10.391 6.666 1.00 42.23 H new ATOM 425 N GLN A 25 12.399 -6.636 7.743 1.00 21.12 N ATOM 426 CA GLN A 25 12.269 -5.170 7.959 1.00 13.24 C ATOM 427 C GLN A 25 11.301 -4.841 9.107 1.00 33.42 C ATOM 428 O GLN A 25 11.227 -3.684 9.541 1.00 3.20 O ATOM 429 CB GLN A 25 11.800 -4.469 6.655 1.00 15.51 C ATOM 430 CG GLN A 25 12.700 -4.705 5.428 1.00 23.21 C ATOM 431 CD GLN A 25 14.163 -4.330 5.643 1.00 62.31 C ATOM 432 OE1 GLN A 25 14.562 -3.179 5.458 1.00 24.24 O ATOM 433 NE2 GLN A 25 14.985 -5.304 5.994 1.00 71.32 N ATOM 0 H GLN A 25 11.610 -7.047 7.245 1.00 21.12 H new ATOM 0 HA GLN A 25 13.255 -4.796 8.237 1.00 13.24 H new ATOM 0 HB2 GLN A 25 10.793 -4.811 6.419 1.00 15.51 H new ATOM 0 HB3 GLN A 25 11.737 -3.397 6.840 1.00 15.51 H new ATOM 0 HG2 GLN A 25 12.644 -5.757 5.147 1.00 23.21 H new ATOM 0 HG3 GLN A 25 12.309 -4.130 4.589 1.00 23.21 H new ATOM 0 HE21 GLN A 25 14.625 -6.247 6.140 1.00 71.32 H new ATOM 0 HE22 GLN A 25 15.979 -5.112 6.119 1.00 71.32 H new ATOM 442 N GLY A 26 10.559 -5.856 9.590 1.00 1.21 N ATOM 443 CA GLY A 26 9.619 -5.685 10.704 1.00 34.20 C ATOM 444 C GLY A 26 8.332 -4.943 10.340 1.00 41.52 C ATOM 445 O GLY A 26 7.747 -4.273 11.194 1.00 52.31 O ATOM 0 H GLY A 26 10.596 -6.806 9.221 1.00 1.21 H new ATOM 0 HA2 GLY A 26 9.358 -6.668 11.097 1.00 34.20 H new ATOM 0 HA3 GLY A 26 10.121 -5.144 11.506 1.00 34.20 H new ATOM 449 N TYR A 27 7.889 -5.066 9.072 1.00 24.41 N ATOM 450 CA TYR A 27 6.616 -4.476 8.594 1.00 21.10 C ATOM 451 C TYR A 27 5.576 -5.588 8.407 1.00 30.32 C ATOM 452 O TYR A 27 5.717 -6.445 7.520 1.00 73.43 O ATOM 453 CB TYR A 27 6.823 -3.666 7.279 1.00 33.14 C ATOM 454 CG TYR A 27 7.511 -2.310 7.507 1.00 74.44 C ATOM 455 CD1 TYR A 27 8.903 -2.201 7.550 1.00 54.32 C ATOM 456 CD2 TYR A 27 6.762 -1.143 7.712 1.00 10.30 C ATOM 457 CE1 TYR A 27 9.522 -0.988 7.782 1.00 63.21 C ATOM 458 CE2 TYR A 27 7.380 0.072 7.951 1.00 75.31 C ATOM 459 CZ TYR A 27 8.758 0.144 7.984 1.00 32.23 C ATOM 460 OH TYR A 27 9.378 1.349 8.239 1.00 12.12 O ATOM 0 H TYR A 27 8.400 -5.575 8.351 1.00 24.41 H new ATOM 0 HA TYR A 27 6.251 -3.774 9.343 1.00 21.10 H new ATOM 0 HB2 TYR A 27 7.420 -4.258 6.585 1.00 33.14 H new ATOM 0 HB3 TYR A 27 5.855 -3.500 6.805 1.00 33.14 H new ATOM 0 HD1 TYR A 27 9.508 -3.083 7.399 1.00 54.32 H new ATOM 0 HD2 TYR A 27 5.684 -1.193 7.683 1.00 10.30 H new ATOM 0 HE1 TYR A 27 10.600 -0.925 7.805 1.00 63.21 H new ATOM 0 HE2 TYR A 27 6.787 0.960 8.111 1.00 75.31 H new ATOM 0 HH TYR A 27 10.110 1.482 7.601 1.00 12.12 H new ATOM 470 N GLN A 28 4.551 -5.574 9.272 1.00 53.12 N ATOM 471 CA GLN A 28 3.490 -6.586 9.301 1.00 65.22 C ATOM 472 C GLN A 28 2.508 -6.379 8.130 1.00 42.42 C ATOM 473 O GLN A 28 1.718 -5.428 8.137 1.00 74.24 O ATOM 474 CB GLN A 28 2.736 -6.515 10.653 1.00 52.00 C ATOM 475 CG GLN A 28 3.621 -6.768 11.892 1.00 54.02 C ATOM 476 CD GLN A 28 2.874 -6.703 13.235 1.00 3.30 C ATOM 477 OE1 GLN A 28 3.451 -6.336 14.263 1.00 42.51 O ATOM 478 NE2 GLN A 28 1.603 -7.088 13.263 1.00 30.35 N ATOM 0 H GLN A 28 4.436 -4.849 9.980 1.00 53.12 H new ATOM 0 HA GLN A 28 3.943 -7.572 9.195 1.00 65.22 H new ATOM 0 HB2 GLN A 28 2.274 -5.532 10.746 1.00 52.00 H new ATOM 0 HB3 GLN A 28 1.928 -7.247 10.643 1.00 52.00 H new ATOM 0 HG2 GLN A 28 4.085 -7.749 11.796 1.00 54.02 H new ATOM 0 HG3 GLN A 28 4.427 -6.034 11.903 1.00 54.02 H new ATOM 0 HE21 GLN A 28 1.142 -7.388 12.404 1.00 30.35 H new ATOM 0 HE22 GLN A 28 1.088 -7.083 14.143 1.00 30.35 H new ATOM 487 N VAL A 29 2.578 -7.284 7.135 1.00 13.54 N ATOM 488 CA VAL A 29 1.699 -7.268 5.954 1.00 55.12 C ATOM 489 C VAL A 29 0.266 -7.644 6.362 1.00 25.32 C ATOM 490 O VAL A 29 0.058 -8.563 7.154 1.00 54.30 O ATOM 491 CB VAL A 29 2.192 -8.256 4.826 1.00 21.23 C ATOM 492 CG1 VAL A 29 1.229 -8.274 3.607 1.00 64.51 C ATOM 493 CG2 VAL A 29 3.621 -7.901 4.379 1.00 25.53 C ATOM 0 H VAL A 29 3.251 -8.051 7.130 1.00 13.54 H new ATOM 0 HA VAL A 29 1.726 -6.256 5.549 1.00 55.12 H new ATOM 0 HB VAL A 29 2.196 -9.259 5.254 1.00 21.23 H new ATOM 0 HG11 VAL A 29 1.607 -8.967 2.855 1.00 64.51 H new ATOM 0 HG12 VAL A 29 0.239 -8.594 3.930 1.00 64.51 H new ATOM 0 HG13 VAL A 29 1.165 -7.274 3.179 1.00 64.51 H new ATOM 0 HG21 VAL A 29 3.942 -8.594 3.601 1.00 25.53 H new ATOM 0 HG22 VAL A 29 3.638 -6.884 3.988 1.00 25.53 H new ATOM 0 HG23 VAL A 29 4.297 -7.974 5.231 1.00 25.53 H new ATOM 503 N ARG A 30 -0.697 -6.887 5.840 1.00 63.24 N ATOM 504 CA ARG A 30 -2.125 -7.147 5.962 1.00 70.01 C ATOM 505 C ARG A 30 -2.708 -7.206 4.556 1.00 11.04 C ATOM 506 O ARG A 30 -2.726 -6.189 3.855 1.00 63.13 O ATOM 507 CB ARG A 30 -2.796 -6.019 6.779 1.00 30.14 C ATOM 508 CG ARG A 30 -2.367 -5.955 8.255 1.00 43.25 C ATOM 509 CD ARG A 30 -2.738 -7.230 9.023 1.00 21.22 C ATOM 510 NE ARG A 30 -4.191 -7.463 9.042 1.00 61.12 N ATOM 511 CZ ARG A 30 -4.835 -8.272 9.891 1.00 43.11 C ATOM 512 NH1 ARG A 30 -4.178 -8.973 10.819 1.00 43.24 N ATOM 513 NH2 ARG A 30 -6.145 -8.390 9.800 1.00 60.11 N ATOM 0 H ARG A 30 -0.494 -6.045 5.301 1.00 63.24 H new ATOM 0 HA ARG A 30 -2.302 -8.089 6.480 1.00 70.01 H new ATOM 0 HB2 ARG A 30 -2.570 -5.063 6.307 1.00 30.14 H new ATOM 0 HB3 ARG A 30 -3.877 -6.149 6.734 1.00 30.14 H new ATOM 0 HG2 ARG A 30 -1.290 -5.799 8.312 1.00 43.25 H new ATOM 0 HG3 ARG A 30 -2.839 -5.096 8.732 1.00 43.25 H new ATOM 0 HD2 ARG A 30 -2.240 -8.085 8.566 1.00 21.22 H new ATOM 0 HD3 ARG A 30 -2.370 -7.156 10.046 1.00 21.22 H new ATOM 0 HE ARG A 30 -4.754 -6.967 8.351 1.00 61.12 H new ATOM 0 HH11 ARG A 30 -3.163 -8.898 10.891 1.00 43.24 H new ATOM 0 HH12 ARG A 30 -4.691 -9.583 11.455 1.00 43.24 H new ATOM 0 HH21 ARG A 30 -6.656 -7.868 9.088 1.00 60.11 H new ATOM 0 HH22 ARG A 30 -6.648 -9.004 10.441 1.00 60.11 H new ATOM 527 N ASP A 31 -3.149 -8.398 4.141 1.00 50.22 N ATOM 528 CA ASP A 31 -3.737 -8.616 2.811 1.00 14.15 C ATOM 529 C ASP A 31 -5.266 -8.502 2.932 1.00 71.41 C ATOM 530 O ASP A 31 -5.907 -9.273 3.661 1.00 43.13 O ATOM 531 CB ASP A 31 -3.274 -9.979 2.199 1.00 3.25 C ATOM 532 CG ASP A 31 -3.693 -11.233 3.002 1.00 4.23 C ATOM 533 OD1 ASP A 31 -3.414 -11.286 4.221 1.00 1.45 O ATOM 534 OD2 ASP A 31 -4.250 -12.186 2.414 1.00 75.12 O ATOM 0 H ASP A 31 -3.109 -9.240 4.716 1.00 50.22 H new ATOM 0 HA ASP A 31 -3.387 -7.853 2.115 1.00 14.15 H new ATOM 0 HB2 ASP A 31 -3.676 -10.062 1.189 1.00 3.25 H new ATOM 0 HB3 ASP A 31 -2.188 -9.970 2.110 1.00 3.25 H new ATOM 539 N VAL A 32 -5.833 -7.499 2.238 1.00 20.24 N ATOM 540 CA VAL A 32 -7.260 -7.184 2.283 1.00 20.22 C ATOM 541 C VAL A 32 -7.851 -7.424 0.887 1.00 41.52 C ATOM 542 O VAL A 32 -7.509 -6.717 -0.072 1.00 13.40 O ATOM 543 CB VAL A 32 -7.528 -5.690 2.714 1.00 35.01 C ATOM 544 CG1 VAL A 32 -9.044 -5.436 2.901 1.00 42.44 C ATOM 545 CG2 VAL A 32 -6.734 -5.316 3.987 1.00 13.52 C ATOM 0 H VAL A 32 -5.301 -6.881 1.625 1.00 20.24 H new ATOM 0 HA VAL A 32 -7.730 -7.826 3.028 1.00 20.22 H new ATOM 0 HB VAL A 32 -7.174 -5.043 1.911 1.00 35.01 H new ATOM 0 HG11 VAL A 32 -9.205 -4.400 3.198 1.00 42.44 H new ATOM 0 HG12 VAL A 32 -9.564 -5.630 1.963 1.00 42.44 H new ATOM 0 HG13 VAL A 32 -9.431 -6.100 3.674 1.00 42.44 H new ATOM 0 HG21 VAL A 32 -6.943 -4.280 4.255 1.00 13.52 H new ATOM 0 HG22 VAL A 32 -7.032 -5.970 4.807 1.00 13.52 H new ATOM 0 HG23 VAL A 32 -5.667 -5.434 3.798 1.00 13.52 H new ATOM 555 N ASN A 33 -8.739 -8.419 0.788 1.00 30.23 N ATOM 556 CA ASN A 33 -9.389 -8.810 -0.475 1.00 32.53 C ATOM 557 C ASN A 33 -10.903 -8.968 -0.283 1.00 44.41 C ATOM 558 O ASN A 33 -11.588 -9.540 -1.138 1.00 53.42 O ATOM 559 CB ASN A 33 -8.744 -10.124 -1.019 1.00 74.32 C ATOM 560 CG ASN A 33 -7.246 -10.008 -1.362 1.00 51.53 C ATOM 561 OD1 ASN A 33 -6.486 -10.956 -1.164 1.00 73.34 O ATOM 562 ND2 ASN A 33 -6.811 -8.875 -1.916 1.00 12.53 N ATOM 0 H ASN A 33 -9.032 -8.982 1.586 1.00 30.23 H new ATOM 0 HA ASN A 33 -9.235 -8.021 -1.211 1.00 32.53 H new ATOM 0 HB2 ASN A 33 -8.874 -10.911 -0.277 1.00 74.32 H new ATOM 0 HB3 ASN A 33 -9.285 -10.436 -1.912 1.00 74.32 H new ATOM 0 HD21 ASN A 33 -5.831 -8.782 -2.185 1.00 12.53 H new ATOM 0 HD22 ASN A 33 -7.458 -8.102 -2.071 1.00 12.53 H new ATOM 569 N ASP A 34 -11.425 -8.449 0.842 1.00 20.00 N ATOM 570 CA ASP A 34 -12.871 -8.442 1.135 1.00 72.10 C ATOM 571 C ASP A 34 -13.225 -7.181 1.951 1.00 42.21 C ATOM 572 O ASP A 34 -12.433 -6.743 2.800 1.00 22.33 O ATOM 573 CB ASP A 34 -13.264 -9.739 1.901 1.00 44.34 C ATOM 574 CG ASP A 34 -14.788 -9.914 2.055 1.00 35.33 C ATOM 575 OD1 ASP A 34 -15.371 -9.359 3.004 1.00 61.33 O ATOM 576 OD2 ASP A 34 -15.414 -10.597 1.217 1.00 22.12 O ATOM 0 H ASP A 34 -10.857 -8.022 1.574 1.00 20.00 H new ATOM 0 HA ASP A 34 -13.436 -8.418 0.203 1.00 72.10 H new ATOM 0 HB2 ASP A 34 -12.857 -10.602 1.374 1.00 44.34 H new ATOM 0 HB3 ASP A 34 -12.805 -9.723 2.889 1.00 44.34 H new ATOM 581 N SER A 35 -14.405 -6.601 1.663 1.00 20.25 N ATOM 582 CA SER A 35 -14.900 -5.359 2.286 1.00 60.31 C ATOM 583 C SER A 35 -15.077 -5.464 3.814 1.00 11.45 C ATOM 584 O SER A 35 -14.844 -4.483 4.531 1.00 23.33 O ATOM 585 CB SER A 35 -16.228 -4.955 1.611 1.00 63.33 C ATOM 586 OG SER A 35 -17.173 -6.016 1.655 1.00 51.31 O ATOM 0 H SER A 35 -15.053 -6.990 0.978 1.00 20.25 H new ATOM 0 HA SER A 35 -14.142 -4.591 2.130 1.00 60.31 H new ATOM 0 HB2 SER A 35 -16.640 -4.077 2.110 1.00 63.33 H new ATOM 0 HB3 SER A 35 -16.041 -4.674 0.574 1.00 63.33 H new ATOM 0 HG SER A 35 -18.005 -5.731 1.222 1.00 51.31 H new ATOM 592 N ASP A 36 -15.518 -6.646 4.292 1.00 22.51 N ATOM 593 CA ASP A 36 -15.659 -6.923 5.736 1.00 13.33 C ATOM 594 C ASP A 36 -14.291 -6.863 6.421 1.00 22.41 C ATOM 595 O ASP A 36 -14.145 -6.203 7.451 1.00 34.13 O ATOM 596 CB ASP A 36 -16.327 -8.301 5.996 1.00 62.44 C ATOM 597 CG ASP A 36 -16.507 -8.601 7.497 1.00 54.10 C ATOM 598 OD1 ASP A 36 -17.473 -8.083 8.097 1.00 41.32 O ATOM 599 OD2 ASP A 36 -15.677 -9.329 8.088 1.00 53.35 O ATOM 0 H ASP A 36 -15.784 -7.428 3.694 1.00 22.51 H new ATOM 0 HA ASP A 36 -16.308 -6.156 6.158 1.00 13.33 H new ATOM 0 HB2 ASP A 36 -17.300 -8.327 5.505 1.00 62.44 H new ATOM 0 HB3 ASP A 36 -15.721 -9.085 5.543 1.00 62.44 H new ATOM 604 N GLU A 37 -13.291 -7.500 5.781 1.00 22.41 N ATOM 605 CA GLU A 37 -11.916 -7.588 6.304 1.00 13.33 C ATOM 606 C GLU A 37 -11.312 -6.188 6.458 1.00 23.44 C ATOM 607 O GLU A 37 -10.674 -5.894 7.467 1.00 4.43 O ATOM 608 CB GLU A 37 -11.049 -8.470 5.367 1.00 52.13 C ATOM 609 CG GLU A 37 -11.473 -9.954 5.316 1.00 13.21 C ATOM 610 CD GLU A 37 -11.334 -10.672 6.676 1.00 71.44 C ATOM 611 OE1 GLU A 37 -10.240 -11.202 6.972 1.00 25.41 O ATOM 612 OE2 GLU A 37 -12.309 -10.689 7.467 1.00 21.30 O ATOM 0 H GLU A 37 -13.416 -7.969 4.884 1.00 22.41 H new ATOM 0 HA GLU A 37 -11.939 -8.053 7.290 1.00 13.33 H new ATOM 0 HB2 GLU A 37 -11.091 -8.058 4.359 1.00 52.13 H new ATOM 0 HB3 GLU A 37 -10.010 -8.412 5.692 1.00 52.13 H new ATOM 0 HG2 GLU A 37 -12.509 -10.018 4.982 1.00 13.21 H new ATOM 0 HG3 GLU A 37 -10.866 -10.473 4.574 1.00 13.21 H new ATOM 619 N LEU A 38 -11.593 -5.325 5.459 1.00 32.31 N ATOM 620 CA LEU A 38 -11.252 -3.885 5.477 1.00 64.34 C ATOM 621 C LEU A 38 -11.821 -3.208 6.737 1.00 62.02 C ATOM 622 O LEU A 38 -11.077 -2.677 7.560 1.00 44.35 O ATOM 623 CB LEU A 38 -11.849 -3.207 4.198 1.00 60.30 C ATOM 624 CG LEU A 38 -11.913 -1.624 4.176 1.00 1.42 C ATOM 625 CD1 LEU A 38 -10.715 -0.990 3.452 1.00 22.22 C ATOM 626 CD2 LEU A 38 -13.249 -1.114 3.590 1.00 3.11 C ATOM 0 H LEU A 38 -12.070 -5.612 4.604 1.00 32.31 H new ATOM 0 HA LEU A 38 -10.168 -3.774 5.489 1.00 64.34 H new ATOM 0 HB2 LEU A 38 -11.262 -3.533 3.339 1.00 60.30 H new ATOM 0 HB3 LEU A 38 -12.861 -3.587 4.056 1.00 60.30 H new ATOM 0 HG LEU A 38 -11.858 -1.305 5.217 1.00 1.42 H new ATOM 0 HD11 LEU A 38 -10.813 0.095 3.468 1.00 22.22 H new ATOM 0 HD12 LEU A 38 -9.792 -1.279 3.954 1.00 22.22 H new ATOM 0 HD13 LEU A 38 -10.689 -1.336 2.419 1.00 22.22 H new ATOM 0 HD21 LEU A 38 -13.255 -0.024 3.592 1.00 3.11 H new ATOM 0 HD22 LEU A 38 -13.360 -1.476 2.568 1.00 3.11 H new ATOM 0 HD23 LEU A 38 -14.076 -1.482 4.197 1.00 3.11 H new ATOM 638 N LYS A 39 -13.155 -3.296 6.882 1.00 72.33 N ATOM 639 CA LYS A 39 -13.921 -2.581 7.921 1.00 32.22 C ATOM 640 C LYS A 39 -13.610 -3.087 9.343 1.00 14.42 C ATOM 641 O LYS A 39 -13.835 -2.369 10.318 1.00 33.24 O ATOM 642 CB LYS A 39 -15.441 -2.664 7.595 1.00 73.04 C ATOM 643 CG LYS A 39 -15.840 -1.853 6.349 1.00 43.32 C ATOM 644 CD LYS A 39 -17.361 -1.875 6.107 1.00 53.43 C ATOM 645 CE LYS A 39 -17.810 -0.842 5.066 1.00 2.22 C ATOM 646 NZ LYS A 39 -17.206 -1.078 3.722 1.00 73.33 N ATOM 0 H LYS A 39 -13.739 -3.871 6.275 1.00 72.33 H new ATOM 0 HA LYS A 39 -13.613 -1.536 7.910 1.00 32.22 H new ATOM 0 HB2 LYS A 39 -15.717 -3.708 7.445 1.00 73.04 H new ATOM 0 HB3 LYS A 39 -16.010 -2.304 8.452 1.00 73.04 H new ATOM 0 HG2 LYS A 39 -15.507 -0.822 6.466 1.00 43.32 H new ATOM 0 HG3 LYS A 39 -15.328 -2.256 5.475 1.00 43.32 H new ATOM 0 HD2 LYS A 39 -17.658 -2.870 5.776 1.00 53.43 H new ATOM 0 HD3 LYS A 39 -17.877 -1.685 7.048 1.00 53.43 H new ATOM 0 HE2 LYS A 39 -18.896 -0.867 4.981 1.00 2.22 H new ATOM 0 HE3 LYS A 39 -17.540 0.156 5.411 1.00 2.22 H new ATOM 0 HZ1 LYS A 39 -16.647 -0.247 3.442 1.00 73.33 H new ATOM 0 HZ2 LYS A 39 -16.588 -1.914 3.761 1.00 73.33 H new ATOM 0 HZ3 LYS A 39 -17.961 -1.238 3.025 1.00 73.33 H new ATOM 660 N LYS A 40 -13.121 -4.332 9.448 1.00 12.11 N ATOM 661 CA LYS A 40 -12.691 -4.922 10.729 1.00 70.35 C ATOM 662 C LYS A 40 -11.302 -4.390 11.127 1.00 34.41 C ATOM 663 O LYS A 40 -11.169 -3.710 12.152 1.00 73.41 O ATOM 664 CB LYS A 40 -12.684 -6.480 10.638 1.00 64.12 C ATOM 665 CG LYS A 40 -14.083 -7.120 10.447 1.00 41.50 C ATOM 666 CD LYS A 40 -14.995 -6.988 11.695 1.00 60.11 C ATOM 667 CE LYS A 40 -16.412 -7.558 11.462 1.00 42.04 C ATOM 668 NZ LYS A 40 -16.386 -8.976 11.004 1.00 23.10 N ATOM 0 H LYS A 40 -13.012 -4.958 8.650 1.00 12.11 H new ATOM 0 HA LYS A 40 -13.402 -4.630 11.502 1.00 70.35 H new ATOM 0 HB2 LYS A 40 -12.045 -6.780 9.807 1.00 64.12 H new ATOM 0 HB3 LYS A 40 -12.236 -6.882 11.546 1.00 64.12 H new ATOM 0 HG2 LYS A 40 -14.576 -6.652 9.595 1.00 41.50 H new ATOM 0 HG3 LYS A 40 -13.962 -8.176 10.205 1.00 41.50 H new ATOM 0 HD2 LYS A 40 -14.533 -7.507 12.534 1.00 60.11 H new ATOM 0 HD3 LYS A 40 -15.072 -5.937 11.974 1.00 60.11 H new ATOM 0 HE2 LYS A 40 -16.985 -7.488 12.386 1.00 42.04 H new ATOM 0 HE3 LYS A 40 -16.928 -6.949 10.720 1.00 42.04 H new ATOM 0 HZ1 LYS A 40 -17.342 -9.380 11.072 1.00 23.10 H new ATOM 0 HZ2 LYS A 40 -16.063 -9.016 10.016 1.00 23.10 H new ATOM 0 HZ3 LYS A 40 -15.735 -9.523 11.603 1.00 23.10 H new ATOM 682 N GLU A 41 -10.287 -4.644 10.275 1.00 73.21 N ATOM 683 CA GLU A 41 -8.872 -4.451 10.660 1.00 55.53 C ATOM 684 C GLU A 41 -8.450 -2.968 10.637 1.00 73.13 C ATOM 685 O GLU A 41 -7.543 -2.578 11.370 1.00 22.24 O ATOM 686 CB GLU A 41 -7.919 -5.277 9.763 1.00 43.24 C ATOM 687 CG GLU A 41 -7.830 -4.817 8.292 1.00 20.10 C ATOM 688 CD GLU A 41 -6.636 -5.420 7.546 1.00 55.44 C ATOM 689 OE1 GLU A 41 -6.633 -6.654 7.298 1.00 42.52 O ATOM 690 OE2 GLU A 41 -5.682 -4.677 7.240 1.00 43.03 O ATOM 0 H GLU A 41 -10.419 -4.981 9.321 1.00 73.21 H new ATOM 0 HA GLU A 41 -8.791 -4.808 11.687 1.00 55.53 H new ATOM 0 HB2 GLU A 41 -6.920 -5.245 10.197 1.00 43.24 H new ATOM 0 HB3 GLU A 41 -8.241 -6.318 9.782 1.00 43.24 H new ATOM 0 HG2 GLU A 41 -8.750 -5.091 7.775 1.00 20.10 H new ATOM 0 HG3 GLU A 41 -7.759 -3.730 8.261 1.00 20.10 H new ATOM 697 N MET A 42 -9.093 -2.156 9.772 1.00 62.22 N ATOM 698 CA MET A 42 -8.759 -0.733 9.637 1.00 74.34 C ATOM 699 C MET A 42 -9.185 0.038 10.899 1.00 63.34 C ATOM 700 O MET A 42 -8.475 0.943 11.359 1.00 11.35 O ATOM 701 CB MET A 42 -9.393 -0.116 8.358 1.00 13.32 C ATOM 702 CG MET A 42 -8.582 1.052 7.804 1.00 13.12 C ATOM 703 SD MET A 42 -8.465 2.448 8.947 1.00 2.33 S ATOM 704 CE MET A 42 -6.925 3.195 8.431 1.00 51.12 C ATOM 0 H MET A 42 -9.846 -2.467 9.159 1.00 62.22 H new ATOM 0 HA MET A 42 -7.678 -0.648 9.531 1.00 74.34 H new ATOM 0 HB2 MET A 42 -9.481 -0.887 7.593 1.00 13.32 H new ATOM 0 HB3 MET A 42 -10.403 0.224 8.586 1.00 13.32 H new ATOM 0 HG2 MET A 42 -7.578 0.705 7.561 1.00 13.12 H new ATOM 0 HG3 MET A 42 -9.036 1.391 6.873 1.00 13.12 H new ATOM 0 HE1 MET A 42 -6.174 3.055 9.209 1.00 51.12 H new ATOM 0 HE2 MET A 42 -6.584 2.725 7.509 1.00 51.12 H new ATOM 0 HE3 MET A 42 -7.077 4.261 8.261 1.00 51.12 H new ATOM 714 N LYS A 43 -10.343 -0.359 11.471 1.00 44.45 N ATOM 715 CA LYS A 43 -10.799 0.170 12.765 1.00 62.44 C ATOM 716 C LYS A 43 -9.775 -0.161 13.863 1.00 63.43 C ATOM 717 O LYS A 43 -9.573 0.629 14.768 1.00 42.31 O ATOM 718 CB LYS A 43 -12.187 -0.377 13.162 1.00 2.14 C ATOM 719 CG LYS A 43 -13.361 0.112 12.290 1.00 1.34 C ATOM 720 CD LYS A 43 -14.759 -0.067 12.954 1.00 40.13 C ATOM 721 CE LYS A 43 -15.036 -1.489 13.506 1.00 41.54 C ATOM 722 NZ LYS A 43 -14.415 -1.735 14.844 1.00 34.15 N ATOM 0 H LYS A 43 -10.974 -1.043 11.054 1.00 44.45 H new ATOM 0 HA LYS A 43 -10.889 1.251 12.659 1.00 62.44 H new ATOM 0 HB2 LYS A 43 -12.155 -1.466 13.122 1.00 2.14 H new ATOM 0 HB3 LYS A 43 -12.386 -0.101 14.198 1.00 2.14 H new ATOM 0 HG2 LYS A 43 -13.213 1.166 12.057 1.00 1.34 H new ATOM 0 HG3 LYS A 43 -13.347 -0.429 11.344 1.00 1.34 H new ATOM 0 HD2 LYS A 43 -14.853 0.650 13.770 1.00 40.13 H new ATOM 0 HD3 LYS A 43 -15.528 0.180 12.222 1.00 40.13 H new ATOM 0 HE2 LYS A 43 -16.113 -1.639 13.580 1.00 41.54 H new ATOM 0 HE3 LYS A 43 -14.659 -2.226 12.797 1.00 41.54 H new ATOM 0 HZ1 LYS A 43 -15.105 -2.203 15.466 1.00 34.15 H new ATOM 0 HZ2 LYS A 43 -13.580 -2.345 14.732 1.00 34.15 H new ATOM 0 HZ3 LYS A 43 -14.128 -0.829 15.265 1.00 34.15 H new ATOM 736 N LYS A 44 -9.106 -1.323 13.734 1.00 23.34 N ATOM 737 CA LYS A 44 -8.071 -1.766 14.689 1.00 31.24 C ATOM 738 C LYS A 44 -6.816 -0.888 14.584 1.00 42.51 C ATOM 739 O LYS A 44 -6.130 -0.667 15.575 1.00 52.42 O ATOM 740 CB LYS A 44 -7.702 -3.250 14.446 1.00 73.24 C ATOM 741 CG LYS A 44 -8.870 -4.240 14.627 1.00 45.44 C ATOM 742 CD LYS A 44 -9.407 -4.286 16.074 1.00 22.43 C ATOM 743 CE LYS A 44 -8.367 -4.796 17.089 1.00 3.30 C ATOM 744 NZ LYS A 44 -7.900 -6.172 16.763 1.00 22.31 N ATOM 0 H LYS A 44 -9.266 -1.978 12.969 1.00 23.34 H new ATOM 0 HA LYS A 44 -8.480 -1.666 15.694 1.00 31.24 H new ATOM 0 HB2 LYS A 44 -7.310 -3.352 13.434 1.00 73.24 H new ATOM 0 HB3 LYS A 44 -6.899 -3.527 15.129 1.00 73.24 H new ATOM 0 HG2 LYS A 44 -9.681 -3.963 13.954 1.00 45.44 H new ATOM 0 HG3 LYS A 44 -8.541 -5.238 14.336 1.00 45.44 H new ATOM 0 HD2 LYS A 44 -9.732 -3.287 16.366 1.00 22.43 H new ATOM 0 HD3 LYS A 44 -10.286 -4.930 16.109 1.00 22.43 H new ATOM 0 HE2 LYS A 44 -7.514 -4.118 17.106 1.00 3.30 H new ATOM 0 HE3 LYS A 44 -8.801 -4.787 18.089 1.00 3.30 H new ATOM 0 HZ1 LYS A 44 -7.321 -6.537 17.546 1.00 22.31 H new ATOM 0 HZ2 LYS A 44 -8.722 -6.793 16.621 1.00 22.31 H new ATOM 0 HZ3 LYS A 44 -7.330 -6.148 15.893 1.00 22.31 H new ATOM 758 N LEU A 45 -6.524 -0.380 13.374 1.00 71.24 N ATOM 759 CA LEU A 45 -5.406 0.562 13.164 1.00 53.13 C ATOM 760 C LEU A 45 -5.679 1.893 13.904 1.00 32.31 C ATOM 761 O LEU A 45 -4.752 2.573 14.327 1.00 10.43 O ATOM 762 CB LEU A 45 -5.163 0.798 11.648 1.00 21.43 C ATOM 763 CG LEU A 45 -4.836 -0.485 10.811 1.00 44.34 C ATOM 764 CD1 LEU A 45 -4.702 -0.161 9.310 1.00 24.44 C ATOM 765 CD2 LEU A 45 -3.573 -1.201 11.350 1.00 51.31 C ATOM 0 H LEU A 45 -7.045 -0.604 12.526 1.00 71.24 H new ATOM 0 HA LEU A 45 -4.498 0.125 13.579 1.00 53.13 H new ATOM 0 HB2 LEU A 45 -6.049 1.271 11.225 1.00 21.43 H new ATOM 0 HB3 LEU A 45 -4.340 1.504 11.535 1.00 21.43 H new ATOM 0 HG LEU A 45 -5.676 -1.171 10.922 1.00 44.34 H new ATOM 0 HD11 LEU A 45 -4.475 -1.074 8.760 1.00 24.44 H new ATOM 0 HD12 LEU A 45 -5.638 0.260 8.944 1.00 24.44 H new ATOM 0 HD13 LEU A 45 -3.898 0.560 9.164 1.00 24.44 H new ATOM 0 HD21 LEU A 45 -3.372 -2.087 10.748 1.00 51.31 H new ATOM 0 HD22 LEU A 45 -2.720 -0.525 11.295 1.00 51.31 H new ATOM 0 HD23 LEU A 45 -3.736 -1.496 12.387 1.00 51.31 H new ATOM 777 N ALA A 46 -6.969 2.225 14.086 1.00 64.43 N ATOM 778 CA ALA A 46 -7.398 3.424 14.832 1.00 70.11 C ATOM 779 C ALA A 46 -7.507 3.139 16.349 1.00 51.22 C ATOM 780 O ALA A 46 -7.131 3.977 17.174 1.00 3.45 O ATOM 781 CB ALA A 46 -8.747 3.914 14.292 1.00 53.44 C ATOM 0 H ALA A 46 -7.744 1.671 13.721 1.00 64.43 H new ATOM 0 HA ALA A 46 -6.644 4.198 14.692 1.00 70.11 H new ATOM 0 HB1 ALA A 46 -9.060 4.799 14.845 1.00 53.44 H new ATOM 0 HB2 ALA A 46 -8.647 4.163 13.235 1.00 53.44 H new ATOM 0 HB3 ALA A 46 -9.493 3.129 14.411 1.00 53.44 H new ATOM 787 N GLU A 47 -8.019 1.943 16.699 1.00 73.12 N ATOM 788 CA GLU A 47 -8.375 1.574 18.093 1.00 22.34 C ATOM 789 C GLU A 47 -7.160 1.059 18.884 1.00 12.22 C ATOM 790 O GLU A 47 -7.172 1.087 20.120 1.00 22.24 O ATOM 791 CB GLU A 47 -9.528 0.529 18.091 1.00 21.32 C ATOM 792 CG GLU A 47 -10.870 1.077 17.552 1.00 25.10 C ATOM 793 CD GLU A 47 -11.990 0.024 17.490 1.00 5.22 C ATOM 794 OE1 GLU A 47 -12.087 -0.712 16.482 1.00 32.10 O ATOM 795 OE2 GLU A 47 -12.781 -0.077 18.455 1.00 4.11 O ATOM 0 H GLU A 47 -8.200 1.200 16.024 1.00 73.12 H new ATOM 0 HA GLU A 47 -8.718 2.476 18.600 1.00 22.34 H new ATOM 0 HB2 GLU A 47 -9.228 -0.327 17.487 1.00 21.32 H new ATOM 0 HB3 GLU A 47 -9.677 0.166 19.108 1.00 21.32 H new ATOM 0 HG2 GLU A 47 -11.195 1.903 18.185 1.00 25.10 H new ATOM 0 HG3 GLU A 47 -10.711 1.484 16.553 1.00 25.10 H new ATOM 802 N GLU A 48 -6.118 0.596 18.176 1.00 75.20 N ATOM 803 CA GLU A 48 -4.840 0.226 18.806 1.00 71.43 C ATOM 804 C GLU A 48 -3.941 1.462 18.729 1.00 42.54 C ATOM 805 O GLU A 48 -3.477 1.837 17.643 1.00 14.30 O ATOM 806 CB GLU A 48 -4.158 -1.003 18.122 1.00 71.43 C ATOM 807 CG GLU A 48 -5.047 -2.269 18.009 1.00 51.14 C ATOM 808 CD GLU A 48 -5.745 -2.674 19.322 1.00 55.53 C ATOM 809 OE1 GLU A 48 -5.070 -3.208 20.231 1.00 44.35 O ATOM 810 OE2 GLU A 48 -6.976 -2.474 19.446 1.00 64.24 O ATOM 0 H GLU A 48 -6.135 0.469 17.164 1.00 75.20 H new ATOM 0 HA GLU A 48 -5.015 -0.081 19.837 1.00 71.43 H new ATOM 0 HB2 GLU A 48 -3.839 -0.712 17.121 1.00 71.43 H new ATOM 0 HB3 GLU A 48 -3.258 -1.258 18.682 1.00 71.43 H new ATOM 0 HG2 GLU A 48 -5.806 -2.099 17.245 1.00 51.14 H new ATOM 0 HG3 GLU A 48 -4.432 -3.101 17.667 1.00 51.14 H new ATOM 817 N LYS A 49 -3.740 2.116 19.880 1.00 32.21 N ATOM 818 CA LYS A 49 -3.017 3.397 19.968 1.00 72.30 C ATOM 819 C LYS A 49 -1.486 3.199 19.809 1.00 70.25 C ATOM 820 O LYS A 49 -0.741 4.175 19.744 1.00 25.32 O ATOM 821 CB LYS A 49 -3.359 4.091 21.319 1.00 52.23 C ATOM 822 CG LYS A 49 -2.948 5.582 21.414 1.00 10.23 C ATOM 823 CD LYS A 49 -3.196 6.187 22.813 1.00 3.12 C ATOM 824 CE LYS A 49 -2.802 7.674 22.890 1.00 10.13 C ATOM 825 NZ LYS A 49 -1.365 7.897 22.562 1.00 34.10 N ATOM 0 H LYS A 49 -4.074 1.773 20.781 1.00 32.21 H new ATOM 0 HA LYS A 49 -3.338 4.038 19.147 1.00 72.30 H new ATOM 0 HB2 LYS A 49 -4.433 4.015 21.487 1.00 52.23 H new ATOM 0 HB3 LYS A 49 -2.871 3.543 22.125 1.00 52.23 H new ATOM 0 HG2 LYS A 49 -1.891 5.679 21.164 1.00 10.23 H new ATOM 0 HG3 LYS A 49 -3.505 6.155 20.672 1.00 10.23 H new ATOM 0 HD2 LYS A 49 -4.250 6.080 23.070 1.00 3.12 H new ATOM 0 HD3 LYS A 49 -2.628 5.625 23.554 1.00 3.12 H new ATOM 0 HE2 LYS A 49 -3.423 8.248 22.202 1.00 10.13 H new ATOM 0 HE3 LYS A 49 -3.006 8.050 23.893 1.00 10.13 H new ATOM 0 HZ1 LYS A 49 -1.114 8.887 22.758 1.00 34.10 H new ATOM 0 HZ2 LYS A 49 -0.775 7.269 23.144 1.00 34.10 H new ATOM 0 HZ3 LYS A 49 -1.203 7.691 21.556 1.00 34.10 H new ATOM 839 N ASN A 50 -1.033 1.929 19.737 1.00 25.34 N ATOM 840 CA ASN A 50 0.392 1.577 19.549 1.00 43.14 C ATOM 841 C ASN A 50 0.951 2.124 18.220 1.00 42.12 C ATOM 842 O ASN A 50 0.274 2.078 17.178 1.00 65.24 O ATOM 843 CB ASN A 50 0.599 0.033 19.596 1.00 50.21 C ATOM 844 CG ASN A 50 0.365 -0.590 20.977 1.00 1.25 C ATOM 845 OD1 ASN A 50 -0.461 -0.125 21.763 1.00 72.53 O ATOM 846 ND2 ASN A 50 1.108 -1.640 21.284 1.00 10.12 N ATOM 0 H ASN A 50 -1.646 1.117 19.808 1.00 25.34 H new ATOM 0 HA ASN A 50 0.937 2.041 20.371 1.00 43.14 H new ATOM 0 HB2 ASN A 50 -0.076 -0.435 18.879 1.00 50.21 H new ATOM 0 HB3 ASN A 50 1.615 -0.196 19.274 1.00 50.21 H new ATOM 0 HD21 ASN A 50 1.006 -2.089 22.194 1.00 10.12 H new ATOM 0 HD22 ASN A 50 1.784 -2.001 20.611 1.00 10.12 H new ATOM 853 N PHE A 51 2.191 2.653 18.285 1.00 23.14 N ATOM 854 CA PHE A 51 2.948 3.095 17.102 1.00 34.33 C ATOM 855 C PHE A 51 3.588 1.870 16.428 1.00 34.43 C ATOM 856 O PHE A 51 4.721 1.495 16.719 1.00 11.51 O ATOM 857 CB PHE A 51 3.984 4.231 17.450 1.00 10.35 C ATOM 858 CG PHE A 51 4.903 3.988 18.653 1.00 5.52 C ATOM 859 CD1 PHE A 51 4.485 4.305 19.949 1.00 51.52 C ATOM 860 CD2 PHE A 51 6.186 3.458 18.493 1.00 3.23 C ATOM 861 CE1 PHE A 51 5.313 4.093 21.034 1.00 72.23 C ATOM 862 CE2 PHE A 51 7.009 3.248 19.581 1.00 53.41 C ATOM 863 CZ PHE A 51 6.573 3.562 20.848 1.00 15.41 C ATOM 0 H PHE A 51 2.694 2.785 19.163 1.00 23.14 H new ATOM 0 HA PHE A 51 2.265 3.554 16.387 1.00 34.33 H new ATOM 0 HB2 PHE A 51 4.610 4.399 16.574 1.00 10.35 H new ATOM 0 HB3 PHE A 51 3.430 5.153 17.627 1.00 10.35 H new ATOM 0 HD1 PHE A 51 3.501 4.722 20.104 1.00 51.52 H new ATOM 0 HD2 PHE A 51 6.539 3.209 17.503 1.00 3.23 H new ATOM 0 HE1 PHE A 51 4.974 4.343 22.029 1.00 72.23 H new ATOM 0 HE2 PHE A 51 7.997 2.836 19.438 1.00 53.41 H new ATOM 0 HZ PHE A 51 7.218 3.393 21.698 1.00 15.41 H new ATOM 873 N GLU A 52 2.809 1.212 15.560 1.00 43.21 N ATOM 874 CA GLU A 52 3.174 -0.088 14.960 1.00 51.00 C ATOM 875 C GLU A 52 3.521 0.062 13.460 1.00 61.23 C ATOM 876 O GLU A 52 2.922 0.878 12.743 1.00 71.24 O ATOM 877 CB GLU A 52 2.017 -1.100 15.201 1.00 53.20 C ATOM 878 CG GLU A 52 0.633 -0.608 14.736 1.00 13.22 C ATOM 879 CD GLU A 52 -0.543 -1.496 15.191 1.00 44.01 C ATOM 880 OE1 GLU A 52 -0.657 -2.642 14.715 1.00 42.44 O ATOM 881 OE2 GLU A 52 -1.362 -1.049 16.026 1.00 24.41 O ATOM 0 H GLU A 52 1.903 1.564 15.250 1.00 43.21 H new ATOM 0 HA GLU A 52 4.074 -0.471 15.440 1.00 51.00 H new ATOM 0 HB2 GLU A 52 2.251 -2.030 14.684 1.00 53.20 H new ATOM 0 HB3 GLU A 52 1.968 -1.331 16.265 1.00 53.20 H new ATOM 0 HG2 GLU A 52 0.475 0.403 15.111 1.00 13.22 H new ATOM 0 HG3 GLU A 52 0.628 -0.549 13.648 1.00 13.22 H new ATOM 888 N LYS A 53 4.522 -0.724 13.024 1.00 21.51 N ATOM 889 CA LYS A 53 5.018 -0.758 11.644 1.00 22.45 C ATOM 890 C LYS A 53 4.136 -1.712 10.829 1.00 71.44 C ATOM 891 O LYS A 53 4.302 -2.939 10.917 1.00 1.24 O ATOM 892 CB LYS A 53 6.486 -1.251 11.632 1.00 34.33 C ATOM 893 CG LYS A 53 7.440 -0.423 12.510 1.00 13.40 C ATOM 894 CD LYS A 53 8.801 -1.122 12.738 1.00 20.22 C ATOM 895 CE LYS A 53 9.603 -1.329 11.446 1.00 51.41 C ATOM 896 NZ LYS A 53 10.915 -1.972 11.714 1.00 31.52 N ATOM 0 H LYS A 53 5.018 -1.368 13.640 1.00 21.51 H new ATOM 0 HA LYS A 53 4.980 0.240 11.207 1.00 22.45 H new ATOM 0 HB2 LYS A 53 6.511 -2.288 11.967 1.00 34.33 H new ATOM 0 HB3 LYS A 53 6.853 -1.238 10.606 1.00 34.33 H new ATOM 0 HG2 LYS A 53 7.608 0.547 12.042 1.00 13.40 H new ATOM 0 HG3 LYS A 53 6.968 -0.234 13.474 1.00 13.40 H new ATOM 0 HD2 LYS A 53 9.394 -0.529 13.434 1.00 20.22 H new ATOM 0 HD3 LYS A 53 8.630 -2.090 13.210 1.00 20.22 H new ATOM 0 HE2 LYS A 53 9.029 -1.947 10.756 1.00 51.41 H new ATOM 0 HE3 LYS A 53 9.761 -0.368 10.957 1.00 51.41 H new ATOM 0 HZ1 LYS A 53 11.173 -2.582 10.912 1.00 31.52 H new ATOM 0 HZ2 LYS A 53 11.642 -1.239 11.839 1.00 31.52 H new ATOM 0 HZ3 LYS A 53 10.850 -2.546 12.579 1.00 31.52 H new ATOM 910 N ILE A 54 3.179 -1.160 10.078 1.00 50.32 N ATOM 911 CA ILE A 54 2.210 -1.956 9.310 1.00 42.11 C ATOM 912 C ILE A 54 2.389 -1.673 7.810 1.00 3.54 C ATOM 913 O ILE A 54 2.775 -0.574 7.402 1.00 13.04 O ATOM 914 CB ILE A 54 0.721 -1.659 9.756 1.00 34.51 C ATOM 915 CG1 ILE A 54 0.551 -1.856 11.297 1.00 64.03 C ATOM 916 CG2 ILE A 54 -0.307 -2.528 8.982 1.00 61.54 C ATOM 917 CD1 ILE A 54 0.888 -3.251 11.801 1.00 11.52 C ATOM 0 H ILE A 54 3.052 -0.152 9.984 1.00 50.32 H new ATOM 0 HA ILE A 54 2.401 -3.011 9.509 1.00 42.11 H new ATOM 0 HB ILE A 54 0.518 -0.617 9.510 1.00 34.51 H new ATOM 0 HG12 ILE A 54 1.185 -1.135 11.814 1.00 64.03 H new ATOM 0 HG13 ILE A 54 -0.480 -1.626 11.567 1.00 64.03 H new ATOM 0 HG21 ILE A 54 -1.315 -2.289 9.322 1.00 61.54 H new ATOM 0 HG22 ILE A 54 -0.226 -2.323 7.915 1.00 61.54 H new ATOM 0 HG23 ILE A 54 -0.103 -3.583 9.165 1.00 61.54 H new ATOM 0 HD11 ILE A 54 0.741 -3.293 12.880 1.00 11.52 H new ATOM 0 HD12 ILE A 54 0.238 -3.980 11.317 1.00 11.52 H new ATOM 0 HD13 ILE A 54 1.928 -3.481 11.567 1.00 11.52 H new ATOM 929 N LEU A 55 2.135 -2.696 7.019 1.00 54.20 N ATOM 930 CA LEU A 55 2.125 -2.638 5.570 1.00 43.14 C ATOM 931 C LEU A 55 0.784 -3.223 5.126 1.00 41.33 C ATOM 932 O LEU A 55 0.458 -4.343 5.501 1.00 63.20 O ATOM 933 CB LEU A 55 3.345 -3.437 5.024 1.00 4.11 C ATOM 934 CG LEU A 55 3.616 -3.350 3.480 1.00 70.13 C ATOM 935 CD1 LEU A 55 5.099 -3.565 3.161 1.00 54.34 C ATOM 936 CD2 LEU A 55 2.751 -4.335 2.672 1.00 4.24 C ATOM 0 H LEU A 55 1.922 -3.626 7.381 1.00 54.20 H new ATOM 0 HA LEU A 55 2.219 -1.624 5.182 1.00 43.14 H new ATOM 0 HB2 LEU A 55 4.238 -3.092 5.545 1.00 4.11 H new ATOM 0 HB3 LEU A 55 3.209 -4.486 5.286 1.00 4.11 H new ATOM 0 HG LEU A 55 3.334 -2.341 3.178 1.00 70.13 H new ATOM 0 HD11 LEU A 55 5.253 -3.499 2.084 1.00 54.34 H new ATOM 0 HD12 LEU A 55 5.693 -2.800 3.660 1.00 54.34 H new ATOM 0 HD13 LEU A 55 5.407 -4.550 3.511 1.00 54.34 H new ATOM 0 HD21 LEU A 55 2.978 -4.233 1.611 1.00 4.24 H new ATOM 0 HD22 LEU A 55 2.965 -5.355 2.993 1.00 4.24 H new ATOM 0 HD23 LEU A 55 1.697 -4.116 2.840 1.00 4.24 H new ATOM 948 N ILE A 56 -0.007 -2.454 4.374 1.00 31.01 N ATOM 949 CA ILE A 56 -1.318 -2.904 3.881 1.00 21.20 C ATOM 950 C ILE A 56 -1.200 -3.240 2.384 1.00 53.31 C ATOM 951 O ILE A 56 -0.999 -2.342 1.569 1.00 21.54 O ATOM 952 CB ILE A 56 -2.426 -1.795 4.061 1.00 53.32 C ATOM 953 CG1 ILE A 56 -2.543 -1.303 5.545 1.00 14.33 C ATOM 954 CG2 ILE A 56 -3.801 -2.286 3.521 1.00 32.22 C ATOM 955 CD1 ILE A 56 -3.090 -2.327 6.519 1.00 55.43 C ATOM 0 H ILE A 56 0.238 -1.506 4.089 1.00 31.01 H new ATOM 0 HA ILE A 56 -1.612 -3.779 4.461 1.00 21.20 H new ATOM 0 HB ILE A 56 -2.114 -0.935 3.468 1.00 53.32 H new ATOM 0 HG12 ILE A 56 -1.556 -0.990 5.887 1.00 14.33 H new ATOM 0 HG13 ILE A 56 -3.184 -0.422 5.570 1.00 14.33 H new ATOM 0 HG21 ILE A 56 -4.546 -1.502 3.657 1.00 32.22 H new ATOM 0 HG22 ILE A 56 -3.712 -2.522 2.460 1.00 32.22 H new ATOM 0 HG23 ILE A 56 -4.109 -3.178 4.066 1.00 32.22 H new ATOM 0 HD11 ILE A 56 -3.133 -1.893 7.518 1.00 55.43 H new ATOM 0 HD12 ILE A 56 -4.092 -2.625 6.210 1.00 55.43 H new ATOM 0 HD13 ILE A 56 -2.439 -3.201 6.531 1.00 55.43 H new ATOM 967 N ILE A 57 -1.302 -4.527 2.032 1.00 41.43 N ATOM 968 CA ILE A 57 -1.503 -4.955 0.643 1.00 34.52 C ATOM 969 C ILE A 57 -3.011 -5.129 0.420 1.00 2.41 C ATOM 970 O ILE A 57 -3.670 -5.854 1.157 1.00 13.23 O ATOM 971 CB ILE A 57 -0.741 -6.290 0.280 1.00 43.23 C ATOM 972 CG1 ILE A 57 0.803 -6.080 0.382 1.00 11.22 C ATOM 973 CG2 ILE A 57 -1.138 -6.797 -1.131 1.00 31.54 C ATOM 974 CD1 ILE A 57 1.654 -7.283 0.011 1.00 71.52 C ATOM 0 H ILE A 57 -1.248 -5.297 2.698 1.00 41.43 H new ATOM 0 HA ILE A 57 -1.086 -4.190 -0.012 1.00 34.52 H new ATOM 0 HB ILE A 57 -1.034 -7.054 1.000 1.00 43.23 H new ATOM 0 HG12 ILE A 57 1.082 -5.247 -0.263 1.00 11.22 H new ATOM 0 HG13 ILE A 57 1.045 -5.787 1.404 1.00 11.22 H new ATOM 0 HG21 ILE A 57 -0.597 -7.717 -1.352 1.00 31.54 H new ATOM 0 HG22 ILE A 57 -2.210 -6.990 -1.160 1.00 31.54 H new ATOM 0 HG23 ILE A 57 -0.886 -6.040 -1.874 1.00 31.54 H new ATOM 0 HD11 ILE A 57 2.709 -7.029 0.116 1.00 71.52 H new ATOM 0 HD12 ILE A 57 1.414 -8.116 0.671 1.00 71.52 H new ATOM 0 HD13 ILE A 57 1.451 -7.568 -1.021 1.00 71.52 H new ATOM 986 N SER A 58 -3.547 -4.438 -0.578 1.00 20.22 N ATOM 987 CA SER A 58 -4.927 -4.605 -1.020 1.00 70.33 C ATOM 988 C SER A 58 -4.917 -4.561 -2.545 1.00 21.21 C ATOM 989 O SER A 58 -4.555 -3.542 -3.142 1.00 60.41 O ATOM 990 CB SER A 58 -5.849 -3.511 -0.410 1.00 31.31 C ATOM 991 OG SER A 58 -7.193 -3.651 -0.855 1.00 21.34 O ATOM 0 H SER A 58 -3.030 -3.738 -1.110 1.00 20.22 H new ATOM 0 HA SER A 58 -5.332 -5.557 -0.678 1.00 70.33 H new ATOM 0 HB2 SER A 58 -5.817 -3.573 0.678 1.00 31.31 H new ATOM 0 HB3 SER A 58 -5.475 -2.525 -0.685 1.00 31.31 H new ATOM 0 HG SER A 58 -7.326 -3.119 -1.667 1.00 21.34 H new ATOM 997 N ASN A 59 -5.312 -5.685 -3.160 1.00 40.32 N ATOM 998 CA ASN A 59 -5.338 -5.851 -4.631 1.00 34.13 C ATOM 999 C ASN A 59 -6.671 -5.356 -5.205 1.00 24.42 C ATOM 1000 O ASN A 59 -6.894 -5.380 -6.419 1.00 32.11 O ATOM 1001 CB ASN A 59 -5.087 -7.333 -5.011 1.00 72.40 C ATOM 1002 CG ASN A 59 -3.693 -7.829 -4.617 1.00 13.44 C ATOM 1003 OD1 ASN A 59 -3.168 -7.486 -3.564 1.00 12.34 O ATOM 1004 ND2 ASN A 59 -3.064 -8.621 -5.479 1.00 63.44 N ATOM 0 H ASN A 59 -5.625 -6.513 -2.653 1.00 40.32 H new ATOM 0 HA ASN A 59 -4.540 -5.248 -5.064 1.00 34.13 H new ATOM 0 HB2 ASN A 59 -5.838 -7.958 -4.527 1.00 72.40 H new ATOM 0 HB3 ASN A 59 -5.218 -7.453 -6.087 1.00 72.40 H new ATOM 0 HD21 ASN A 59 -2.124 -8.957 -5.270 1.00 63.44 H new ATOM 0 HD22 ASN A 59 -3.521 -8.893 -6.349 1.00 63.44 H new ATOM 1011 N ASP A 60 -7.541 -4.902 -4.302 1.00 4.22 N ATOM 1012 CA ASP A 60 -8.847 -4.348 -4.613 1.00 0.05 C ATOM 1013 C ASP A 60 -8.750 -2.830 -4.434 1.00 34.03 C ATOM 1014 O ASP A 60 -8.600 -2.337 -3.308 1.00 1.14 O ATOM 1015 CB ASP A 60 -9.912 -4.967 -3.672 1.00 2.52 C ATOM 1016 CG ASP A 60 -10.001 -6.505 -3.784 1.00 11.24 C ATOM 1017 OD1 ASP A 60 -9.055 -7.198 -3.339 1.00 24.30 O ATOM 1018 OD2 ASP A 60 -11.007 -7.024 -4.316 1.00 2.24 O ATOM 0 H ASP A 60 -7.343 -4.913 -3.301 1.00 4.22 H new ATOM 0 HA ASP A 60 -9.147 -4.577 -5.635 1.00 0.05 H new ATOM 0 HB2 ASP A 60 -9.679 -4.697 -2.642 1.00 2.52 H new ATOM 0 HB3 ASP A 60 -10.886 -4.535 -3.902 1.00 2.52 H new ATOM 1023 N LYS A 61 -8.795 -2.109 -5.561 1.00 72.23 N ATOM 1024 CA LYS A 61 -8.592 -0.654 -5.615 1.00 43.41 C ATOM 1025 C LYS A 61 -9.737 0.112 -4.930 1.00 40.50 C ATOM 1026 O LYS A 61 -9.525 1.227 -4.458 1.00 13.14 O ATOM 1027 CB LYS A 61 -8.410 -0.202 -7.091 1.00 35.41 C ATOM 1028 CG LYS A 61 -7.100 -0.715 -7.747 1.00 23.21 C ATOM 1029 CD LYS A 61 -6.923 -0.264 -9.221 1.00 34.31 C ATOM 1030 CE LYS A 61 -7.982 -0.872 -10.163 1.00 64.24 C ATOM 1031 NZ LYS A 61 -7.772 -0.475 -11.580 1.00 32.14 N ATOM 0 H LYS A 61 -8.976 -2.525 -6.475 1.00 72.23 H new ATOM 0 HA LYS A 61 -7.684 -0.416 -5.060 1.00 43.41 H new ATOM 0 HB2 LYS A 61 -9.260 -0.553 -7.676 1.00 35.41 H new ATOM 0 HB3 LYS A 61 -8.423 0.887 -7.132 1.00 35.41 H new ATOM 0 HG2 LYS A 61 -6.250 -0.362 -7.164 1.00 23.21 H new ATOM 0 HG3 LYS A 61 -7.085 -1.804 -7.705 1.00 23.21 H new ATOM 0 HD2 LYS A 61 -6.979 0.823 -9.273 1.00 34.31 H new ATOM 0 HD3 LYS A 61 -5.929 -0.549 -9.567 1.00 34.31 H new ATOM 0 HE2 LYS A 61 -7.953 -1.959 -10.085 1.00 64.24 H new ATOM 0 HE3 LYS A 61 -8.975 -0.555 -9.843 1.00 64.24 H new ATOM 0 HZ1 LYS A 61 -8.455 -0.974 -12.185 1.00 32.14 H new ATOM 0 HZ2 LYS A 61 -7.909 0.551 -11.677 1.00 32.14 H new ATOM 0 HZ3 LYS A 61 -6.805 -0.724 -11.871 1.00 32.14 H new ATOM 1045 N GLN A 62 -10.938 -0.503 -4.862 1.00 22.00 N ATOM 1046 CA GLN A 62 -12.084 0.066 -4.129 1.00 43.05 C ATOM 1047 C GLN A 62 -11.783 0.093 -2.618 1.00 14.02 C ATOM 1048 O GLN A 62 -12.018 1.107 -1.949 1.00 14.22 O ATOM 1049 CB GLN A 62 -13.386 -0.739 -4.411 1.00 14.45 C ATOM 1050 CG GLN A 62 -14.628 -0.257 -3.619 1.00 13.23 C ATOM 1051 CD GLN A 62 -15.023 1.207 -3.886 1.00 10.32 C ATOM 1052 OE1 GLN A 62 -14.835 1.738 -4.984 1.00 71.14 O ATOM 1053 NE2 GLN A 62 -15.553 1.876 -2.872 1.00 14.42 N ATOM 0 H GLN A 62 -11.137 -1.398 -5.309 1.00 22.00 H new ATOM 0 HA GLN A 62 -12.241 1.087 -4.477 1.00 43.05 H new ATOM 0 HB2 GLN A 62 -13.608 -0.684 -5.477 1.00 14.45 H new ATOM 0 HB3 GLN A 62 -13.207 -1.788 -4.176 1.00 14.45 H new ATOM 0 HG2 GLN A 62 -15.473 -0.900 -3.866 1.00 13.23 H new ATOM 0 HG3 GLN A 62 -14.435 -0.380 -2.553 1.00 13.23 H new ATOM 0 HE21 GLN A 62 -15.697 1.412 -1.975 1.00 14.42 H new ATOM 0 HE22 GLN A 62 -15.816 2.854 -2.989 1.00 14.42 H new ATOM 1062 N LEU A 63 -11.226 -1.025 -2.107 1.00 32.14 N ATOM 1063 CA LEU A 63 -10.845 -1.161 -0.686 1.00 64.34 C ATOM 1064 C LEU A 63 -9.668 -0.245 -0.351 1.00 52.44 C ATOM 1065 O LEU A 63 -9.553 0.224 0.774 1.00 35.43 O ATOM 1066 CB LEU A 63 -10.495 -2.633 -0.343 1.00 33.11 C ATOM 1067 CG LEU A 63 -11.626 -3.667 -0.603 1.00 44.13 C ATOM 1068 CD1 LEU A 63 -11.181 -5.089 -0.215 1.00 10.40 C ATOM 1069 CD2 LEU A 63 -12.933 -3.254 0.106 1.00 3.40 C ATOM 0 H LEU A 63 -11.029 -1.855 -2.665 1.00 32.14 H new ATOM 0 HA LEU A 63 -11.701 -0.862 -0.081 1.00 64.34 H new ATOM 0 HB2 LEU A 63 -9.619 -2.925 -0.923 1.00 33.11 H new ATOM 0 HB3 LEU A 63 -10.213 -2.686 0.709 1.00 33.11 H new ATOM 0 HG LEU A 63 -11.833 -3.678 -1.673 1.00 44.13 H new ATOM 0 HD11 LEU A 63 -11.993 -5.790 -0.408 1.00 10.40 H new ATOM 0 HD12 LEU A 63 -10.310 -5.371 -0.806 1.00 10.40 H new ATOM 0 HD13 LEU A 63 -10.925 -5.114 0.844 1.00 10.40 H new ATOM 0 HD21 LEU A 63 -13.706 -3.996 -0.094 1.00 3.40 H new ATOM 0 HD22 LEU A 63 -12.760 -3.191 1.180 1.00 3.40 H new ATOM 0 HD23 LEU A 63 -13.258 -2.283 -0.267 1.00 3.40 H new ATOM 1081 N LEU A 64 -8.799 -0.003 -1.348 1.00 63.23 N ATOM 1082 CA LEU A 64 -7.680 0.943 -1.224 1.00 43.43 C ATOM 1083 C LEU A 64 -8.215 2.366 -1.014 1.00 13.20 C ATOM 1084 O LEU A 64 -7.712 3.095 -0.158 1.00 72.53 O ATOM 1085 CB LEU A 64 -6.765 0.872 -2.481 1.00 41.13 C ATOM 1086 CG LEU A 64 -5.515 1.841 -2.517 1.00 62.53 C ATOM 1087 CD1 LEU A 64 -4.384 1.246 -3.359 1.00 71.04 C ATOM 1088 CD2 LEU A 64 -5.856 3.251 -3.053 1.00 64.41 C ATOM 0 H LEU A 64 -8.854 -0.457 -2.260 1.00 63.23 H new ATOM 0 HA LEU A 64 -7.080 0.669 -0.356 1.00 43.43 H new ATOM 0 HB2 LEU A 64 -6.403 -0.151 -2.579 1.00 41.13 H new ATOM 0 HB3 LEU A 64 -7.378 1.078 -3.358 1.00 41.13 H new ATOM 0 HG LEU A 64 -5.193 1.947 -1.481 1.00 62.53 H new ATOM 0 HD11 LEU A 64 -3.537 1.932 -3.367 1.00 71.04 H new ATOM 0 HD12 LEU A 64 -4.075 0.293 -2.931 1.00 71.04 H new ATOM 0 HD13 LEU A 64 -4.734 1.089 -4.379 1.00 71.04 H new ATOM 0 HD21 LEU A 64 -4.957 3.868 -3.053 1.00 64.41 H new ATOM 0 HD22 LEU A 64 -6.241 3.171 -4.070 1.00 64.41 H new ATOM 0 HD23 LEU A 64 -6.611 3.710 -2.415 1.00 64.41 H new ATOM 1100 N LYS A 65 -9.214 2.752 -1.841 1.00 23.52 N ATOM 1101 CA LYS A 65 -9.863 4.076 -1.768 1.00 60.21 C ATOM 1102 C LYS A 65 -10.401 4.323 -0.350 1.00 74.21 C ATOM 1103 O LYS A 65 -10.046 5.312 0.288 1.00 64.11 O ATOM 1104 CB LYS A 65 -11.031 4.164 -2.783 1.00 20.30 C ATOM 1105 CG LYS A 65 -10.614 4.196 -4.265 1.00 41.12 C ATOM 1106 CD LYS A 65 -11.800 3.909 -5.222 1.00 2.20 C ATOM 1107 CE LYS A 65 -12.975 4.890 -5.054 1.00 3.14 C ATOM 1108 NZ LYS A 65 -14.154 4.496 -5.874 1.00 75.21 N ATOM 0 H LYS A 65 -9.590 2.153 -2.576 1.00 23.52 H new ATOM 0 HA LYS A 65 -9.120 4.836 -2.012 1.00 60.21 H new ATOM 0 HB2 LYS A 65 -11.691 3.311 -2.627 1.00 20.30 H new ATOM 0 HB3 LYS A 65 -11.612 5.061 -2.567 1.00 20.30 H new ATOM 0 HG2 LYS A 65 -10.191 5.173 -4.499 1.00 41.12 H new ATOM 0 HG3 LYS A 65 -9.828 3.459 -4.434 1.00 41.12 H new ATOM 0 HD2 LYS A 65 -11.445 3.953 -6.252 1.00 2.20 H new ATOM 0 HD3 LYS A 65 -12.157 2.894 -5.051 1.00 2.20 H new ATOM 0 HE2 LYS A 65 -13.263 4.934 -4.004 1.00 3.14 H new ATOM 0 HE3 LYS A 65 -12.654 5.892 -5.339 1.00 3.14 H new ATOM 0 HZ1 LYS A 65 -14.939 5.154 -5.692 1.00 75.21 H new ATOM 0 HZ2 LYS A 65 -13.902 4.528 -6.882 1.00 75.21 H new ATOM 0 HZ3 LYS A 65 -14.446 3.531 -5.621 1.00 75.21 H new ATOM 1122 N GLU A 66 -11.228 3.353 0.120 1.00 65.00 N ATOM 1123 CA GLU A 66 -11.873 3.376 1.449 1.00 43.14 C ATOM 1124 C GLU A 66 -10.817 3.466 2.554 1.00 45.03 C ATOM 1125 O GLU A 66 -10.957 4.270 3.482 1.00 21.00 O ATOM 1126 CB GLU A 66 -12.766 2.114 1.646 1.00 73.20 C ATOM 1127 CG GLU A 66 -13.890 1.980 0.609 1.00 51.45 C ATOM 1128 CD GLU A 66 -14.780 0.743 0.820 1.00 12.44 C ATOM 1129 OE1 GLU A 66 -15.524 0.705 1.831 1.00 42.12 O ATOM 1130 OE2 GLU A 66 -14.742 -0.193 -0.009 1.00 40.35 O ATOM 0 H GLU A 66 -11.465 2.524 -0.425 1.00 65.00 H new ATOM 0 HA GLU A 66 -12.510 4.259 1.508 1.00 43.14 H new ATOM 0 HB2 GLU A 66 -12.137 1.225 1.602 1.00 73.20 H new ATOM 0 HB3 GLU A 66 -13.206 2.144 2.643 1.00 73.20 H new ATOM 0 HG2 GLU A 66 -14.512 2.874 0.642 1.00 51.45 H new ATOM 0 HG3 GLU A 66 -13.450 1.935 -0.387 1.00 51.45 H new ATOM 1137 N MET A 67 -9.745 2.656 2.390 1.00 22.40 N ATOM 1138 CA MET A 67 -8.599 2.590 3.311 1.00 14.14 C ATOM 1139 C MET A 67 -7.971 3.982 3.487 1.00 20.34 C ATOM 1140 O MET A 67 -7.858 4.448 4.608 1.00 22.42 O ATOM 1141 CB MET A 67 -7.540 1.573 2.780 1.00 12.41 C ATOM 1142 CG MET A 67 -6.319 1.361 3.690 1.00 32.13 C ATOM 1143 SD MET A 67 -6.717 0.508 5.228 1.00 12.11 S ATOM 1144 CE MET A 67 -7.158 -1.137 4.651 1.00 14.01 C ATOM 0 H MET A 67 -9.656 2.020 1.597 1.00 22.40 H new ATOM 0 HA MET A 67 -8.951 2.248 4.284 1.00 14.14 H new ATOM 0 HB2 MET A 67 -8.029 0.611 2.626 1.00 12.41 H new ATOM 0 HB3 MET A 67 -7.191 1.913 1.805 1.00 12.41 H new ATOM 0 HG2 MET A 67 -5.566 0.788 3.149 1.00 32.13 H new ATOM 0 HG3 MET A 67 -5.876 2.329 3.923 1.00 32.13 H new ATOM 0 HE1 MET A 67 -8.094 -1.447 5.115 1.00 14.01 H new ATOM 0 HE2 MET A 67 -7.278 -1.123 3.568 1.00 14.01 H new ATOM 0 HE3 MET A 67 -6.370 -1.840 4.920 1.00 14.01 H new ATOM 1154 N LEU A 68 -7.638 4.655 2.360 1.00 2.02 N ATOM 1155 CA LEU A 68 -6.934 5.960 2.372 1.00 24.54 C ATOM 1156 C LEU A 68 -7.806 7.088 2.945 1.00 21.23 C ATOM 1157 O LEU A 68 -7.269 8.025 3.544 1.00 73.45 O ATOM 1158 CB LEU A 68 -6.418 6.344 0.957 1.00 33.23 C ATOM 1159 CG LEU A 68 -5.293 5.431 0.369 1.00 62.34 C ATOM 1160 CD1 LEU A 68 -4.863 5.923 -1.016 1.00 74.35 C ATOM 1161 CD2 LEU A 68 -4.076 5.333 1.317 1.00 24.54 C ATOM 0 H LEU A 68 -7.848 4.312 1.423 1.00 2.02 H new ATOM 0 HA LEU A 68 -6.075 5.838 3.032 1.00 24.54 H new ATOM 0 HB2 LEU A 68 -7.263 6.335 0.269 1.00 33.23 H new ATOM 0 HB3 LEU A 68 -6.046 7.368 0.993 1.00 33.23 H new ATOM 0 HG LEU A 68 -5.708 4.428 0.268 1.00 62.34 H new ATOM 0 HD11 LEU A 68 -4.080 5.273 -1.406 1.00 74.35 H new ATOM 0 HD12 LEU A 68 -5.719 5.905 -1.691 1.00 74.35 H new ATOM 0 HD13 LEU A 68 -4.484 6.942 -0.939 1.00 74.35 H new ATOM 0 HD21 LEU A 68 -3.318 4.690 0.871 1.00 24.54 H new ATOM 0 HD22 LEU A 68 -3.659 6.327 1.478 1.00 24.54 H new ATOM 0 HD23 LEU A 68 -4.392 4.913 2.272 1.00 24.54 H new ATOM 1173 N GLU A 69 -9.145 7.003 2.748 1.00 53.51 N ATOM 1174 CA GLU A 69 -10.095 7.960 3.358 1.00 51.23 C ATOM 1175 C GLU A 69 -10.054 7.810 4.885 1.00 2.21 C ATOM 1176 O GLU A 69 -9.905 8.797 5.606 1.00 0.03 O ATOM 1177 CB GLU A 69 -11.548 7.757 2.840 1.00 60.30 C ATOM 1178 CG GLU A 69 -11.708 7.795 1.308 1.00 44.12 C ATOM 1179 CD GLU A 69 -11.072 9.031 0.641 1.00 34.24 C ATOM 1180 OE1 GLU A 69 -11.641 10.135 0.756 1.00 70.44 O ATOM 1181 OE2 GLU A 69 -10.006 8.902 -0.009 1.00 63.13 O ATOM 0 H GLU A 69 -9.587 6.285 2.174 1.00 53.51 H new ATOM 0 HA GLU A 69 -9.790 8.966 3.071 1.00 51.23 H new ATOM 0 HB2 GLU A 69 -11.916 6.798 3.204 1.00 60.30 H new ATOM 0 HB3 GLU A 69 -12.183 8.528 3.275 1.00 60.30 H new ATOM 0 HG2 GLU A 69 -11.261 6.896 0.884 1.00 44.12 H new ATOM 0 HG3 GLU A 69 -12.770 7.769 1.063 1.00 44.12 H new ATOM 1188 N LEU A 70 -10.136 6.538 5.343 1.00 32.25 N ATOM 1189 CA LEU A 70 -10.038 6.156 6.767 1.00 53.21 C ATOM 1190 C LEU A 70 -8.712 6.667 7.376 1.00 72.11 C ATOM 1191 O LEU A 70 -8.713 7.266 8.450 1.00 73.24 O ATOM 1192 CB LEU A 70 -10.147 4.603 6.894 1.00 25.13 C ATOM 1193 CG LEU A 70 -11.571 3.985 6.641 1.00 15.11 C ATOM 1194 CD1 LEU A 70 -11.499 2.502 6.197 1.00 45.43 C ATOM 1195 CD2 LEU A 70 -12.463 4.129 7.890 1.00 24.01 C ATOM 0 H LEU A 70 -10.274 5.740 4.723 1.00 32.25 H new ATOM 0 HA LEU A 70 -10.856 6.616 7.321 1.00 53.21 H new ATOM 0 HB2 LEU A 70 -9.447 4.152 6.190 1.00 25.13 H new ATOM 0 HB3 LEU A 70 -9.822 4.317 7.894 1.00 25.13 H new ATOM 0 HG LEU A 70 -12.018 4.548 5.822 1.00 15.11 H new ATOM 0 HD11 LEU A 70 -12.507 2.121 6.035 1.00 45.43 H new ATOM 0 HD12 LEU A 70 -10.930 2.427 5.271 1.00 45.43 H new ATOM 0 HD13 LEU A 70 -11.009 1.913 6.973 1.00 45.43 H new ATOM 0 HD21 LEU A 70 -13.442 3.694 7.690 1.00 24.01 H new ATOM 0 HD22 LEU A 70 -12.000 3.610 8.729 1.00 24.01 H new ATOM 0 HD23 LEU A 70 -12.578 5.185 8.135 1.00 24.01 H new ATOM 1207 N ILE A 71 -7.604 6.476 6.622 1.00 11.14 N ATOM 1208 CA ILE A 71 -6.246 6.873 7.045 1.00 3.32 C ATOM 1209 C ILE A 71 -6.145 8.400 7.179 1.00 33.22 C ATOM 1210 O ILE A 71 -5.531 8.894 8.123 1.00 35.41 O ATOM 1211 CB ILE A 71 -5.127 6.378 6.037 1.00 44.53 C ATOM 1212 CG1 ILE A 71 -5.093 4.821 5.935 1.00 64.24 C ATOM 1213 CG2 ILE A 71 -3.742 6.923 6.448 1.00 22.01 C ATOM 1214 CD1 ILE A 71 -4.134 4.254 4.899 1.00 34.00 C ATOM 0 H ILE A 71 -7.630 6.040 5.700 1.00 11.14 H new ATOM 0 HA ILE A 71 -6.075 6.396 8.010 1.00 3.32 H new ATOM 0 HB ILE A 71 -5.378 6.770 5.051 1.00 44.53 H new ATOM 0 HG12 ILE A 71 -4.827 4.416 6.911 1.00 64.24 H new ATOM 0 HG13 ILE A 71 -6.098 4.467 5.706 1.00 64.24 H new ATOM 0 HG21 ILE A 71 -2.989 6.571 5.743 1.00 22.01 H new ATOM 0 HG22 ILE A 71 -3.764 8.013 6.442 1.00 22.01 H new ATOM 0 HG23 ILE A 71 -3.495 6.570 7.449 1.00 22.01 H new ATOM 0 HD11 ILE A 71 -4.188 3.165 4.910 1.00 34.00 H new ATOM 0 HD12 ILE A 71 -4.408 4.621 3.910 1.00 34.00 H new ATOM 0 HD13 ILE A 71 -3.117 4.569 5.134 1.00 34.00 H new ATOM 1226 N SER A 72 -6.774 9.124 6.233 1.00 43.22 N ATOM 1227 CA SER A 72 -6.691 10.587 6.148 1.00 21.14 C ATOM 1228 C SER A 72 -7.350 11.250 7.370 1.00 74.00 C ATOM 1229 O SER A 72 -6.882 12.296 7.834 1.00 64.43 O ATOM 1230 CB SER A 72 -7.341 11.079 4.834 1.00 72.12 C ATOM 1231 OG SER A 72 -7.126 12.466 4.634 1.00 32.41 O ATOM 0 H SER A 72 -7.354 8.705 5.506 1.00 43.22 H new ATOM 0 HA SER A 72 -5.640 10.875 6.145 1.00 21.14 H new ATOM 0 HB2 SER A 72 -6.930 10.521 3.993 1.00 72.12 H new ATOM 0 HB3 SER A 72 -8.412 10.876 4.858 1.00 72.12 H new ATOM 0 HG SER A 72 -7.548 12.745 3.795 1.00 32.41 H new ATOM 1237 N LYS A 73 -8.429 10.619 7.895 1.00 11.21 N ATOM 1238 CA LYS A 73 -9.127 11.107 9.105 1.00 71.13 C ATOM 1239 C LYS A 73 -8.251 10.888 10.358 1.00 43.13 C ATOM 1240 O LYS A 73 -8.385 11.599 11.358 1.00 25.23 O ATOM 1241 CB LYS A 73 -10.510 10.404 9.298 1.00 45.12 C ATOM 1242 CG LYS A 73 -11.345 10.219 8.010 1.00 32.30 C ATOM 1243 CD LYS A 73 -11.537 11.516 7.177 1.00 25.24 C ATOM 1244 CE LYS A 73 -12.252 11.245 5.839 1.00 32.32 C ATOM 1245 NZ LYS A 73 -12.351 12.463 4.996 1.00 70.34 N ATOM 0 H LYS A 73 -8.833 9.771 7.497 1.00 11.21 H new ATOM 0 HA LYS A 73 -9.306 12.174 8.970 1.00 71.13 H new ATOM 0 HB2 LYS A 73 -10.341 9.424 9.745 1.00 45.12 H new ATOM 0 HB3 LYS A 73 -11.097 10.983 10.011 1.00 45.12 H new ATOM 0 HG2 LYS A 73 -10.863 9.468 7.384 1.00 32.30 H new ATOM 0 HG3 LYS A 73 -12.325 9.827 8.281 1.00 32.30 H new ATOM 0 HD2 LYS A 73 -12.114 12.236 7.757 1.00 25.24 H new ATOM 0 HD3 LYS A 73 -10.565 11.969 6.983 1.00 25.24 H new ATOM 0 HE2 LYS A 73 -11.714 10.470 5.293 1.00 32.32 H new ATOM 0 HE3 LYS A 73 -13.252 10.860 6.036 1.00 32.32 H new ATOM 0 HZ1 LYS A 73 -12.839 12.231 4.107 1.00 70.34 H new ATOM 0 HZ2 LYS A 73 -12.887 13.195 5.505 1.00 70.34 H new ATOM 0 HZ3 LYS A 73 -11.396 12.817 4.785 1.00 70.34 H new ATOM 1259 N LEU A 74 -7.369 9.875 10.285 1.00 42.32 N ATOM 1260 CA LEU A 74 -6.470 9.474 11.391 1.00 11.20 C ATOM 1261 C LEU A 74 -5.092 10.166 11.269 1.00 1.41 C ATOM 1262 O LEU A 74 -4.354 10.268 12.255 1.00 54.13 O ATOM 1263 CB LEU A 74 -6.311 7.928 11.369 1.00 3.53 C ATOM 1264 CG LEU A 74 -7.643 7.110 11.417 1.00 24.53 C ATOM 1265 CD1 LEU A 74 -7.399 5.601 11.231 1.00 10.55 C ATOM 1266 CD2 LEU A 74 -8.436 7.405 12.705 1.00 61.45 C ATOM 0 H LEU A 74 -7.256 9.303 9.448 1.00 42.32 H new ATOM 0 HA LEU A 74 -6.906 9.786 12.340 1.00 11.20 H new ATOM 0 HB2 LEU A 74 -5.767 7.650 10.466 1.00 3.53 H new ATOM 0 HB3 LEU A 74 -5.693 7.632 12.217 1.00 3.53 H new ATOM 0 HG LEU A 74 -8.253 7.437 10.575 1.00 24.53 H new ATOM 0 HD11 LEU A 74 -8.351 5.071 11.271 1.00 10.55 H new ATOM 0 HD12 LEU A 74 -6.926 5.425 10.265 1.00 10.55 H new ATOM 0 HD13 LEU A 74 -6.747 5.237 12.025 1.00 10.55 H new ATOM 0 HD21 LEU A 74 -9.356 6.821 12.708 1.00 61.45 H new ATOM 0 HD22 LEU A 74 -7.833 7.137 13.573 1.00 61.45 H new ATOM 0 HD23 LEU A 74 -8.680 8.467 12.747 1.00 61.45 H new ATOM 1278 N GLY A 75 -4.771 10.626 10.043 1.00 41.40 N ATOM 1279 CA GLY A 75 -3.499 11.279 9.732 1.00 50.11 C ATOM 1280 C GLY A 75 -2.275 10.373 9.897 1.00 20.32 C ATOM 1281 O GLY A 75 -1.264 10.798 10.468 1.00 43.11 O ATOM 0 H GLY A 75 -5.396 10.551 9.241 1.00 41.40 H new ATOM 0 HA2 GLY A 75 -3.532 11.644 8.706 1.00 50.11 H new ATOM 0 HA3 GLY A 75 -3.383 12.150 10.377 1.00 50.11 H new ATOM 1285 N TYR A 76 -2.371 9.115 9.419 1.00 42.41 N ATOM 1286 CA TYR A 76 -1.227 8.168 9.441 1.00 1.35 C ATOM 1287 C TYR A 76 -0.372 8.345 8.188 1.00 72.23 C ATOM 1288 O TYR A 76 -0.896 8.660 7.113 1.00 24.22 O ATOM 1289 CB TYR A 76 -1.689 6.690 9.577 1.00 2.23 C ATOM 1290 CG TYR A 76 -2.462 6.359 10.860 1.00 13.45 C ATOM 1291 CD1 TYR A 76 -2.297 7.110 12.031 1.00 44.22 C ATOM 1292 CD2 TYR A 76 -3.339 5.269 10.909 1.00 30.34 C ATOM 1293 CE1 TYR A 76 -2.974 6.793 13.182 1.00 23.40 C ATOM 1294 CE2 TYR A 76 -4.021 4.952 12.065 1.00 33.32 C ATOM 1295 CZ TYR A 76 -3.836 5.717 13.197 1.00 55.43 C ATOM 1296 OH TYR A 76 -4.507 5.399 14.351 1.00 12.53 O ATOM 0 H TYR A 76 -3.224 8.729 9.014 1.00 42.41 H new ATOM 0 HA TYR A 76 -0.629 8.400 10.322 1.00 1.35 H new ATOM 0 HB2 TYR A 76 -2.316 6.443 8.721 1.00 2.23 H new ATOM 0 HB3 TYR A 76 -0.811 6.046 9.525 1.00 2.23 H new ATOM 0 HD1 TYR A 76 -1.624 7.955 12.028 1.00 44.22 H new ATOM 0 HD2 TYR A 76 -3.484 4.665 10.025 1.00 30.34 H new ATOM 0 HE1 TYR A 76 -2.832 7.385 14.074 1.00 23.40 H new ATOM 0 HE2 TYR A 76 -4.696 4.109 12.083 1.00 33.32 H new ATOM 0 HH TYR A 76 -4.542 4.425 14.451 1.00 12.53 H new ATOM 1306 N LYS A 77 0.951 8.147 8.335 1.00 15.43 N ATOM 1307 CA LYS A 77 1.901 8.325 7.231 1.00 74.31 C ATOM 1308 C LYS A 77 1.824 7.122 6.274 1.00 71.44 C ATOM 1309 O LYS A 77 1.941 5.973 6.707 1.00 72.03 O ATOM 1310 CB LYS A 77 3.351 8.505 7.756 1.00 0.14 C ATOM 1311 CG LYS A 77 4.370 8.862 6.644 1.00 41.40 C ATOM 1312 CD LYS A 77 4.096 10.251 6.008 1.00 73.02 C ATOM 1313 CE LYS A 77 4.928 10.504 4.740 1.00 23.14 C ATOM 1314 NZ LYS A 77 4.551 9.581 3.630 1.00 74.42 N ATOM 0 H LYS A 77 1.384 7.862 9.214 1.00 15.43 H new ATOM 0 HA LYS A 77 1.629 9.232 6.691 1.00 74.31 H new ATOM 0 HB2 LYS A 77 3.361 9.290 8.512 1.00 0.14 H new ATOM 0 HB3 LYS A 77 3.668 7.585 8.247 1.00 0.14 H new ATOM 0 HG2 LYS A 77 5.377 8.850 7.061 1.00 41.40 H new ATOM 0 HG3 LYS A 77 4.337 8.098 5.867 1.00 41.40 H new ATOM 0 HD2 LYS A 77 3.037 10.330 5.763 1.00 73.02 H new ATOM 0 HD3 LYS A 77 4.313 11.029 6.740 1.00 73.02 H new ATOM 0 HE2 LYS A 77 4.790 11.536 4.416 1.00 23.14 H new ATOM 0 HE3 LYS A 77 5.986 10.381 4.970 1.00 23.14 H new ATOM 0 HZ1 LYS A 77 5.239 8.803 3.577 1.00 74.42 H new ATOM 0 HZ2 LYS A 77 3.603 9.193 3.808 1.00 74.42 H new ATOM 0 HZ3 LYS A 77 4.549 10.103 2.730 1.00 74.42 H new ATOM 1328 N VAL A 78 1.613 7.403 4.978 1.00 51.14 N ATOM 1329 CA VAL A 78 1.462 6.379 3.930 1.00 43.33 C ATOM 1330 C VAL A 78 2.522 6.561 2.846 1.00 0.45 C ATOM 1331 O VAL A 78 2.847 7.687 2.454 1.00 63.31 O ATOM 1332 CB VAL A 78 0.034 6.441 3.274 1.00 1.42 C ATOM 1333 CG1 VAL A 78 -0.134 5.427 2.112 1.00 23.45 C ATOM 1334 CG2 VAL A 78 -1.048 6.224 4.337 1.00 41.52 C ATOM 0 H VAL A 78 1.542 8.357 4.624 1.00 51.14 H new ATOM 0 HA VAL A 78 1.589 5.406 4.404 1.00 43.33 H new ATOM 0 HB VAL A 78 -0.078 7.436 2.843 1.00 1.42 H new ATOM 0 HG11 VAL A 78 -1.138 5.513 1.696 1.00 23.45 H new ATOM 0 HG12 VAL A 78 0.600 5.639 1.335 1.00 23.45 H new ATOM 0 HG13 VAL A 78 0.017 4.415 2.487 1.00 23.45 H new ATOM 0 HG21 VAL A 78 -2.032 6.269 3.870 1.00 41.52 H new ATOM 0 HG22 VAL A 78 -0.911 5.247 4.801 1.00 41.52 H new ATOM 0 HG23 VAL A 78 -0.972 7.001 5.098 1.00 41.52 H new ATOM 1344 N PHE A 79 3.080 5.433 2.401 1.00 61.10 N ATOM 1345 CA PHE A 79 3.884 5.343 1.188 1.00 25.23 C ATOM 1346 C PHE A 79 3.177 4.333 0.261 1.00 44.43 C ATOM 1347 O PHE A 79 3.072 3.151 0.597 1.00 21.05 O ATOM 1348 CB PHE A 79 5.319 4.885 1.539 1.00 42.22 C ATOM 1349 CG PHE A 79 6.133 5.858 2.403 1.00 51.24 C ATOM 1350 CD1 PHE A 79 5.951 5.925 3.790 1.00 75.53 C ATOM 1351 CD2 PHE A 79 7.092 6.699 1.832 1.00 51.02 C ATOM 1352 CE1 PHE A 79 6.695 6.795 4.567 1.00 12.22 C ATOM 1353 CE2 PHE A 79 7.836 7.566 2.613 1.00 44.43 C ATOM 1354 CZ PHE A 79 7.637 7.614 3.980 1.00 61.40 C ATOM 0 H PHE A 79 2.982 4.541 2.886 1.00 61.10 H new ATOM 0 HA PHE A 79 3.973 6.309 0.691 1.00 25.23 H new ATOM 0 HB2 PHE A 79 5.259 3.929 2.059 1.00 42.22 H new ATOM 0 HB3 PHE A 79 5.863 4.710 0.611 1.00 42.22 H new ATOM 0 HD1 PHE A 79 5.218 5.287 4.261 1.00 75.53 H new ATOM 0 HD2 PHE A 79 7.255 6.672 0.765 1.00 51.02 H new ATOM 0 HE1 PHE A 79 6.538 6.833 5.635 1.00 12.22 H new ATOM 0 HE2 PHE A 79 8.574 8.207 2.153 1.00 44.43 H new ATOM 0 HZ PHE A 79 8.218 8.292 4.588 1.00 61.40 H new ATOM 1364 N LEU A 80 2.684 4.820 -0.886 1.00 44.22 N ATOM 1365 CA LEU A 80 1.800 4.059 -1.800 1.00 34.10 C ATOM 1366 C LEU A 80 2.548 3.574 -3.059 1.00 11.25 C ATOM 1367 O LEU A 80 3.213 4.360 -3.743 1.00 71.43 O ATOM 1368 CB LEU A 80 0.579 4.928 -2.222 1.00 44.04 C ATOM 1369 CG LEU A 80 -0.414 4.269 -3.247 1.00 13.21 C ATOM 1370 CD1 LEU A 80 -1.059 2.985 -2.688 1.00 53.13 C ATOM 1371 CD2 LEU A 80 -1.482 5.269 -3.713 1.00 4.53 C ATOM 0 H LEU A 80 2.886 5.764 -1.215 1.00 44.22 H new ATOM 0 HA LEU A 80 1.455 3.181 -1.254 1.00 34.10 H new ATOM 0 HB2 LEU A 80 0.020 5.194 -1.325 1.00 44.04 H new ATOM 0 HB3 LEU A 80 0.951 5.857 -2.653 1.00 44.04 H new ATOM 0 HG LEU A 80 0.176 3.978 -4.117 1.00 13.21 H new ATOM 0 HD11 LEU A 80 -1.737 2.565 -3.431 1.00 53.13 H new ATOM 0 HD12 LEU A 80 -0.281 2.258 -2.455 1.00 53.13 H new ATOM 0 HD13 LEU A 80 -1.616 3.222 -1.782 1.00 53.13 H new ATOM 0 HD21 LEU A 80 -2.152 4.782 -4.421 1.00 4.53 H new ATOM 0 HD22 LEU A 80 -2.054 5.618 -2.853 1.00 4.53 H new ATOM 0 HD23 LEU A 80 -0.999 6.118 -4.196 1.00 4.53 H new ATOM 1383 N LEU A 81 2.412 2.271 -3.354 1.00 24.01 N ATOM 1384 CA LEU A 81 2.898 1.646 -4.590 1.00 2.12 C ATOM 1385 C LEU A 81 1.702 1.060 -5.351 1.00 55.54 C ATOM 1386 O LEU A 81 1.059 0.128 -4.870 1.00 74.13 O ATOM 1387 CB LEU A 81 3.918 0.517 -4.274 1.00 64.22 C ATOM 1388 CG LEU A 81 4.528 -0.220 -5.511 1.00 52.14 C ATOM 1389 CD1 LEU A 81 5.246 0.769 -6.456 1.00 2.31 C ATOM 1390 CD2 LEU A 81 5.457 -1.364 -5.066 1.00 0.31 C ATOM 0 H LEU A 81 1.952 1.612 -2.726 1.00 24.01 H new ATOM 0 HA LEU A 81 3.400 2.400 -5.197 1.00 2.12 H new ATOM 0 HB2 LEU A 81 4.734 0.944 -3.691 1.00 64.22 H new ATOM 0 HB3 LEU A 81 3.427 -0.222 -3.641 1.00 64.22 H new ATOM 0 HG LEU A 81 3.709 -0.665 -6.077 1.00 52.14 H new ATOM 0 HD11 LEU A 81 5.659 0.226 -7.306 1.00 2.31 H new ATOM 0 HD12 LEU A 81 4.534 1.513 -6.813 1.00 2.31 H new ATOM 0 HD13 LEU A 81 6.052 1.267 -5.917 1.00 2.31 H new ATOM 0 HD21 LEU A 81 5.869 -1.861 -5.944 1.00 0.31 H new ATOM 0 HD22 LEU A 81 6.270 -0.959 -4.464 1.00 0.31 H new ATOM 0 HD23 LEU A 81 4.891 -2.083 -4.474 1.00 0.31 H new ATOM 1402 N LEU A 82 1.390 1.631 -6.515 1.00 34.54 N ATOM 1403 CA LEU A 82 0.350 1.117 -7.416 1.00 63.10 C ATOM 1404 C LEU A 82 0.998 0.302 -8.550 1.00 41.11 C ATOM 1405 O LEU A 82 1.943 0.763 -9.197 1.00 15.31 O ATOM 1406 CB LEU A 82 -0.479 2.291 -7.993 1.00 53.14 C ATOM 1407 CG LEU A 82 -1.332 3.100 -6.970 1.00 74.22 C ATOM 1408 CD1 LEU A 82 -2.042 4.286 -7.644 1.00 33.12 C ATOM 1409 CD2 LEU A 82 -2.346 2.190 -6.252 1.00 4.22 C ATOM 0 H LEU A 82 1.854 2.470 -6.864 1.00 34.54 H new ATOM 0 HA LEU A 82 -0.320 0.464 -6.857 1.00 63.10 H new ATOM 0 HB2 LEU A 82 0.203 2.980 -8.491 1.00 53.14 H new ATOM 0 HB3 LEU A 82 -1.147 1.895 -8.758 1.00 53.14 H new ATOM 0 HG LEU A 82 -0.650 3.503 -6.222 1.00 74.22 H new ATOM 0 HD11 LEU A 82 -2.628 4.829 -6.902 1.00 33.12 H new ATOM 0 HD12 LEU A 82 -1.300 4.955 -8.080 1.00 33.12 H new ATOM 0 HD13 LEU A 82 -2.702 3.917 -8.429 1.00 33.12 H new ATOM 0 HD21 LEU A 82 -2.927 2.781 -5.544 1.00 4.22 H new ATOM 0 HD22 LEU A 82 -3.015 1.741 -6.986 1.00 4.22 H new ATOM 0 HD23 LEU A 82 -1.814 1.403 -5.717 1.00 4.22 H new ATOM 1421 N GLN A 83 0.476 -0.910 -8.776 1.00 11.30 N ATOM 1422 CA GLN A 83 0.897 -1.788 -9.866 1.00 14.15 C ATOM 1423 C GLN A 83 -0.353 -2.282 -10.593 1.00 42.21 C ATOM 1424 O GLN A 83 -1.083 -3.145 -10.087 1.00 21.54 O ATOM 1425 CB GLN A 83 1.716 -2.986 -9.323 1.00 34.51 C ATOM 1426 CG GLN A 83 2.262 -3.932 -10.421 1.00 43.45 C ATOM 1427 CD GLN A 83 3.020 -5.136 -9.872 1.00 33.34 C ATOM 1428 OE1 GLN A 83 3.661 -5.064 -8.825 1.00 43.30 O ATOM 1429 NE2 GLN A 83 2.933 -6.263 -10.566 1.00 2.25 N ATOM 0 H GLN A 83 -0.261 -1.311 -8.196 1.00 11.30 H new ATOM 0 HA GLN A 83 1.538 -1.238 -10.555 1.00 14.15 H new ATOM 0 HB2 GLN A 83 2.553 -2.604 -8.739 1.00 34.51 H new ATOM 0 HB3 GLN A 83 1.089 -3.562 -8.642 1.00 34.51 H new ATOM 0 HG2 GLN A 83 1.430 -4.285 -11.031 1.00 43.45 H new ATOM 0 HG3 GLN A 83 2.922 -3.367 -11.079 1.00 43.45 H new ATOM 0 HE21 GLN A 83 2.393 -6.289 -11.431 1.00 2.25 H new ATOM 0 HE22 GLN A 83 3.406 -7.104 -10.235 1.00 2.25 H new ATOM 1438 N ASP A 84 -0.597 -1.709 -11.768 1.00 13.11 N ATOM 1439 CA ASP A 84 -1.736 -2.054 -12.624 1.00 72.53 C ATOM 1440 C ASP A 84 -1.221 -2.130 -14.065 1.00 5.24 C ATOM 1441 O ASP A 84 -0.369 -1.317 -14.457 1.00 20.52 O ATOM 1442 CB ASP A 84 -2.857 -0.979 -12.478 1.00 64.43 C ATOM 1443 CG ASP A 84 -4.228 -1.414 -13.046 1.00 14.41 C ATOM 1444 OD1 ASP A 84 -4.388 -1.487 -14.281 1.00 70.32 O ATOM 1445 OD2 ASP A 84 -5.152 -1.699 -12.253 1.00 11.33 O ATOM 0 H ASP A 84 -0.002 -0.980 -12.162 1.00 13.11 H new ATOM 0 HA ASP A 84 -2.168 -3.012 -12.336 1.00 72.53 H new ATOM 0 HB2 ASP A 84 -2.975 -0.734 -11.423 1.00 64.43 H new ATOM 0 HB3 ASP A 84 -2.539 -0.067 -12.984 1.00 64.43 H new ATOM 1450 N GLN A 85 -1.719 -3.108 -14.837 1.00 53.15 N ATOM 1451 CA GLN A 85 -1.275 -3.334 -16.226 1.00 34.41 C ATOM 1452 C GLN A 85 -1.775 -2.205 -17.143 1.00 75.54 C ATOM 1453 O GLN A 85 -1.026 -1.683 -17.974 1.00 3.22 O ATOM 1454 CB GLN A 85 -1.783 -4.710 -16.745 1.00 43.12 C ATOM 1455 CG GLN A 85 -1.336 -5.072 -18.184 1.00 25.11 C ATOM 1456 CD GLN A 85 0.183 -5.202 -18.331 1.00 73.15 C ATOM 1457 OE1 GLN A 85 0.886 -4.242 -18.667 1.00 3.14 O ATOM 1458 NE2 GLN A 85 0.706 -6.386 -18.052 1.00 31.33 N ATOM 0 H GLN A 85 -2.436 -3.762 -14.521 1.00 53.15 H new ATOM 0 HA GLN A 85 -0.185 -3.337 -16.239 1.00 34.41 H new ATOM 0 HB2 GLN A 85 -1.435 -5.489 -16.066 1.00 43.12 H new ATOM 0 HB3 GLN A 85 -2.872 -4.716 -16.706 1.00 43.12 H new ATOM 0 HG2 GLN A 85 -1.804 -6.012 -18.477 1.00 25.11 H new ATOM 0 HG3 GLN A 85 -1.697 -4.308 -18.872 1.00 25.11 H new ATOM 0 HE21 GLN A 85 0.100 -7.159 -17.777 1.00 31.33 H new ATOM 0 HE22 GLN A 85 1.715 -6.525 -18.112 1.00 31.33 H new ATOM 1467 N ASP A 86 -3.037 -1.820 -16.947 1.00 2.41 N ATOM 1468 CA ASP A 86 -3.710 -0.812 -17.771 1.00 63.33 C ATOM 1469 C ASP A 86 -3.447 0.566 -17.166 1.00 33.33 C ATOM 1470 O ASP A 86 -3.887 0.840 -16.051 1.00 64.44 O ATOM 1471 CB ASP A 86 -5.233 -1.104 -17.824 1.00 22.31 C ATOM 1472 CG ASP A 86 -6.009 -0.063 -18.647 1.00 2.31 C ATOM 1473 OD1 ASP A 86 -6.054 -0.179 -19.890 1.00 72.14 O ATOM 1474 OD2 ASP A 86 -6.561 0.880 -18.061 1.00 32.20 O ATOM 0 H ASP A 86 -3.626 -2.201 -16.207 1.00 2.41 H new ATOM 0 HA ASP A 86 -3.324 -0.841 -18.790 1.00 63.33 H new ATOM 0 HB2 ASP A 86 -5.394 -2.093 -18.252 1.00 22.31 H new ATOM 0 HB3 ASP A 86 -5.630 -1.128 -16.809 1.00 22.31 H new ATOM 1479 N GLU A 87 -2.720 1.430 -17.891 1.00 40.11 N ATOM 1480 CA GLU A 87 -2.329 2.749 -17.363 1.00 20.12 C ATOM 1481 C GLU A 87 -3.455 3.786 -17.439 1.00 64.01 C ATOM 1482 O GLU A 87 -3.309 4.880 -16.900 1.00 4.12 O ATOM 1483 CB GLU A 87 -1.028 3.275 -18.013 1.00 62.05 C ATOM 1484 CG GLU A 87 0.223 2.445 -17.661 1.00 62.30 C ATOM 1485 CD GLU A 87 1.534 3.214 -17.899 1.00 25.30 C ATOM 1486 OE1 GLU A 87 1.861 4.102 -17.069 1.00 44.12 O ATOM 1487 OE2 GLU A 87 2.220 2.972 -18.914 1.00 70.05 O ATOM 0 H GLU A 87 -2.392 1.242 -18.838 1.00 40.11 H new ATOM 0 HA GLU A 87 -2.126 2.593 -16.303 1.00 20.12 H new ATOM 0 HB2 GLU A 87 -1.153 3.286 -19.096 1.00 62.05 H new ATOM 0 HB3 GLU A 87 -0.868 4.307 -17.700 1.00 62.05 H new ATOM 0 HG2 GLU A 87 0.170 2.141 -16.616 1.00 62.30 H new ATOM 0 HG3 GLU A 87 0.228 1.533 -18.258 1.00 62.30 H new ATOM 1494 N ASN A 88 -4.585 3.446 -18.077 1.00 55.32 N ATOM 1495 CA ASN A 88 -5.784 4.314 -18.046 1.00 34.41 C ATOM 1496 C ASN A 88 -6.451 4.189 -16.661 1.00 74.40 C ATOM 1497 O ASN A 88 -7.161 5.089 -16.216 1.00 20.04 O ATOM 1498 CB ASN A 88 -6.794 3.940 -19.165 1.00 75.32 C ATOM 1499 CG ASN A 88 -6.161 3.876 -20.553 1.00 15.30 C ATOM 1500 OD1 ASN A 88 -6.090 4.872 -21.273 1.00 54.42 O ATOM 1501 ND2 ASN A 88 -5.704 2.695 -20.943 1.00 14.31 N ATOM 0 H ASN A 88 -4.699 2.588 -18.616 1.00 55.32 H new ATOM 0 HA ASN A 88 -5.474 5.344 -18.224 1.00 34.41 H new ATOM 0 HB2 ASN A 88 -7.242 2.974 -18.933 1.00 75.32 H new ATOM 0 HB3 ASN A 88 -7.602 4.672 -19.175 1.00 75.32 H new ATOM 0 HD21 ASN A 88 -5.278 2.592 -21.864 1.00 14.31 H new ATOM 0 HD22 ASN A 88 -5.778 1.889 -20.322 1.00 14.31 H new ATOM 1508 N GLU A 89 -6.221 3.033 -16.007 1.00 41.05 N ATOM 1509 CA GLU A 89 -6.580 2.808 -14.603 1.00 61.51 C ATOM 1510 C GLU A 89 -5.474 3.362 -13.696 1.00 20.54 C ATOM 1511 O GLU A 89 -5.735 4.245 -12.886 1.00 3.22 O ATOM 1512 CB GLU A 89 -6.818 1.296 -14.329 1.00 31.34 C ATOM 1513 CG GLU A 89 -8.122 0.738 -14.927 1.00 10.13 C ATOM 1514 CD GLU A 89 -9.383 1.400 -14.331 1.00 15.22 C ATOM 1515 OE1 GLU A 89 -9.819 0.988 -13.233 1.00 3.31 O ATOM 1516 OE2 GLU A 89 -9.932 2.353 -14.934 1.00 5.50 O ATOM 0 H GLU A 89 -5.777 2.227 -16.447 1.00 41.05 H new ATOM 0 HA GLU A 89 -7.511 3.332 -14.386 1.00 61.51 H new ATOM 0 HB2 GLU A 89 -5.977 0.730 -14.730 1.00 31.34 H new ATOM 0 HB3 GLU A 89 -6.827 1.132 -13.251 1.00 31.34 H new ATOM 0 HG2 GLU A 89 -8.114 0.887 -16.007 1.00 10.13 H new ATOM 0 HG3 GLU A 89 -8.165 -0.337 -14.754 1.00 10.13 H new ATOM 1523 N LEU A 90 -4.241 2.861 -13.912 1.00 24.54 N ATOM 1524 CA LEU A 90 -3.053 3.154 -13.084 1.00 12.50 C ATOM 1525 C LEU A 90 -2.810 4.666 -12.897 1.00 64.22 C ATOM 1526 O LEU A 90 -2.713 5.127 -11.765 1.00 25.31 O ATOM 1527 CB LEU A 90 -1.814 2.473 -13.724 1.00 25.12 C ATOM 1528 CG LEU A 90 -0.433 2.672 -13.019 1.00 31.33 C ATOM 1529 CD1 LEU A 90 -0.485 2.297 -11.529 1.00 52.51 C ATOM 1530 CD2 LEU A 90 0.682 1.890 -13.756 1.00 42.20 C ATOM 0 H LEU A 90 -4.039 2.227 -14.685 1.00 24.54 H new ATOM 0 HA LEU A 90 -3.231 2.752 -12.086 1.00 12.50 H new ATOM 0 HB2 LEU A 90 -2.011 1.402 -13.780 1.00 25.12 H new ATOM 0 HB3 LEU A 90 -1.723 2.835 -14.748 1.00 25.12 H new ATOM 0 HG LEU A 90 -0.194 3.734 -13.070 1.00 31.33 H new ATOM 0 HD11 LEU A 90 0.496 2.451 -11.081 1.00 52.51 H new ATOM 0 HD12 LEU A 90 -1.218 2.924 -11.021 1.00 52.51 H new ATOM 0 HD13 LEU A 90 -0.770 1.250 -11.427 1.00 52.51 H new ATOM 0 HD21 LEU A 90 1.633 2.045 -13.246 1.00 42.20 H new ATOM 0 HD22 LEU A 90 0.440 0.827 -13.758 1.00 42.20 H new ATOM 0 HD23 LEU A 90 0.759 2.247 -14.783 1.00 42.20 H new ATOM 1542 N GLU A 91 -2.754 5.415 -14.014 1.00 40.53 N ATOM 1543 CA GLU A 91 -2.372 6.841 -14.017 1.00 32.41 C ATOM 1544 C GLU A 91 -3.465 7.714 -13.371 1.00 65.45 C ATOM 1545 O GLU A 91 -3.167 8.572 -12.536 1.00 35.22 O ATOM 1546 CB GLU A 91 -2.099 7.328 -15.469 1.00 33.12 C ATOM 1547 CG GLU A 91 -1.533 8.762 -15.579 1.00 11.21 C ATOM 1548 CD GLU A 91 -0.262 8.999 -14.738 1.00 22.52 C ATOM 1549 OE1 GLU A 91 0.806 8.456 -15.092 1.00 34.01 O ATOM 1550 OE2 GLU A 91 -0.318 9.750 -13.735 1.00 22.13 O ATOM 0 H GLU A 91 -2.972 5.049 -14.941 1.00 40.53 H new ATOM 0 HA GLU A 91 -1.460 6.940 -13.428 1.00 32.41 H new ATOM 0 HB2 GLU A 91 -1.399 6.639 -15.942 1.00 33.12 H new ATOM 0 HB3 GLU A 91 -3.029 7.276 -16.035 1.00 33.12 H new ATOM 0 HG2 GLU A 91 -1.310 8.975 -16.624 1.00 11.21 H new ATOM 0 HG3 GLU A 91 -2.301 9.470 -15.267 1.00 11.21 H new ATOM 1557 N GLU A 92 -4.726 7.488 -13.789 1.00 73.35 N ATOM 1558 CA GLU A 92 -5.887 8.253 -13.298 1.00 23.41 C ATOM 1559 C GLU A 92 -6.109 8.037 -11.797 1.00 3.44 C ATOM 1560 O GLU A 92 -6.373 8.982 -11.065 1.00 33.24 O ATOM 1561 CB GLU A 92 -7.156 7.875 -14.093 1.00 12.53 C ATOM 1562 CG GLU A 92 -7.079 8.200 -15.595 1.00 13.53 C ATOM 1563 CD GLU A 92 -6.833 9.692 -15.884 1.00 71.10 C ATOM 1564 OE1 GLU A 92 -7.769 10.501 -15.701 1.00 4.11 O ATOM 1565 OE2 GLU A 92 -5.706 10.067 -16.279 1.00 3.22 O ATOM 0 H GLU A 92 -4.967 6.772 -14.474 1.00 73.35 H new ATOM 0 HA GLU A 92 -5.677 9.312 -13.452 1.00 23.41 H new ATOM 0 HB2 GLU A 92 -7.342 6.808 -13.973 1.00 12.53 H new ATOM 0 HB3 GLU A 92 -8.010 8.398 -13.663 1.00 12.53 H new ATOM 0 HG2 GLU A 92 -6.279 7.613 -16.046 1.00 13.53 H new ATOM 0 HG3 GLU A 92 -8.009 7.893 -16.074 1.00 13.53 H new ATOM 1572 N PHE A 93 -5.961 6.781 -11.368 1.00 73.44 N ATOM 1573 CA PHE A 93 -6.127 6.368 -9.964 1.00 33.42 C ATOM 1574 C PHE A 93 -5.005 6.976 -9.099 1.00 55.32 C ATOM 1575 O PHE A 93 -5.250 7.454 -7.989 1.00 1.25 O ATOM 1576 CB PHE A 93 -6.102 4.821 -9.896 1.00 35.31 C ATOM 1577 CG PHE A 93 -6.545 4.233 -8.577 1.00 33.34 C ATOM 1578 CD1 PHE A 93 -7.843 4.451 -8.119 1.00 13.25 C ATOM 1579 CD2 PHE A 93 -5.695 3.445 -7.804 1.00 45.34 C ATOM 1580 CE1 PHE A 93 -8.272 3.907 -6.936 1.00 62.33 C ATOM 1581 CE2 PHE A 93 -6.130 2.905 -6.617 1.00 24.31 C ATOM 1582 CZ PHE A 93 -7.419 3.137 -6.185 1.00 3.33 C ATOM 0 H PHE A 93 -5.720 6.010 -11.990 1.00 73.44 H new ATOM 0 HA PHE A 93 -7.080 6.729 -9.577 1.00 33.42 H new ATOM 0 HB2 PHE A 93 -6.742 4.427 -10.686 1.00 35.31 H new ATOM 0 HB3 PHE A 93 -5.089 4.479 -10.107 1.00 35.31 H new ATOM 0 HD1 PHE A 93 -8.520 5.056 -8.704 1.00 13.25 H new ATOM 0 HD2 PHE A 93 -4.686 3.257 -8.140 1.00 45.34 H new ATOM 0 HE1 PHE A 93 -9.281 4.084 -6.595 1.00 62.33 H new ATOM 0 HE2 PHE A 93 -5.462 2.299 -6.023 1.00 24.31 H new ATOM 0 HZ PHE A 93 -7.759 2.711 -5.252 1.00 3.33 H new ATOM 1592 N LYS A 94 -3.786 6.959 -9.669 1.00 3.22 N ATOM 1593 CA LYS A 94 -2.566 7.525 -9.071 1.00 5.23 C ATOM 1594 C LYS A 94 -2.742 9.008 -8.750 1.00 72.33 C ATOM 1595 O LYS A 94 -2.568 9.419 -7.607 1.00 61.11 O ATOM 1596 CB LYS A 94 -1.370 7.315 -10.054 1.00 61.43 C ATOM 1597 CG LYS A 94 -0.199 8.323 -9.936 1.00 24.21 C ATOM 1598 CD LYS A 94 0.900 8.040 -10.968 1.00 4.02 C ATOM 1599 CE LYS A 94 1.976 9.124 -11.022 1.00 53.22 C ATOM 1600 NZ LYS A 94 1.426 10.424 -11.483 1.00 52.54 N ATOM 0 H LYS A 94 -3.620 6.539 -10.584 1.00 3.22 H new ATOM 0 HA LYS A 94 -2.363 7.011 -8.132 1.00 5.23 H new ATOM 0 HB2 LYS A 94 -0.974 6.311 -9.901 1.00 61.43 H new ATOM 0 HB3 LYS A 94 -1.754 7.355 -11.073 1.00 61.43 H new ATOM 0 HG2 LYS A 94 -0.576 9.336 -10.075 1.00 24.21 H new ATOM 0 HG3 LYS A 94 0.223 8.274 -8.932 1.00 24.21 H new ATOM 0 HD2 LYS A 94 1.369 7.084 -10.735 1.00 4.02 H new ATOM 0 HD3 LYS A 94 0.445 7.940 -11.954 1.00 4.02 H new ATOM 0 HE2 LYS A 94 2.419 9.247 -10.033 1.00 53.22 H new ATOM 0 HE3 LYS A 94 2.776 8.809 -11.692 1.00 53.22 H new ATOM 0 HZ1 LYS A 94 2.208 11.068 -11.717 1.00 52.54 H new ATOM 0 HZ2 LYS A 94 0.838 10.272 -12.327 1.00 52.54 H new ATOM 0 HZ3 LYS A 94 0.847 10.843 -10.728 1.00 52.54 H new ATOM 1614 N ARG A 95 -3.136 9.778 -9.781 1.00 55.25 N ATOM 1615 CA ARG A 95 -3.113 11.247 -9.753 1.00 61.14 C ATOM 1616 C ARG A 95 -4.200 11.817 -8.821 1.00 42.35 C ATOM 1617 O ARG A 95 -4.086 12.952 -8.369 1.00 35.44 O ATOM 1618 CB ARG A 95 -3.219 11.800 -11.199 1.00 53.31 C ATOM 1619 CG ARG A 95 -4.605 11.649 -11.853 1.00 4.41 C ATOM 1620 CD ARG A 95 -4.570 11.809 -13.377 1.00 1.42 C ATOM 1621 NE ARG A 95 -3.942 13.066 -13.813 1.00 44.34 N ATOM 1622 CZ ARG A 95 -3.800 13.437 -15.092 1.00 10.43 C ATOM 1623 NH1 ARG A 95 -4.241 12.674 -16.085 1.00 72.12 N ATOM 1624 NH2 ARG A 95 -3.207 14.576 -15.388 1.00 62.12 N ATOM 0 H ARG A 95 -3.481 9.393 -10.661 1.00 55.25 H new ATOM 0 HA ARG A 95 -2.162 11.577 -9.336 1.00 61.14 H new ATOM 0 HB2 ARG A 95 -2.952 12.857 -11.188 1.00 53.31 H new ATOM 0 HB3 ARG A 95 -2.483 11.291 -11.821 1.00 53.31 H new ATOM 0 HG2 ARG A 95 -5.012 10.669 -11.606 1.00 4.41 H new ATOM 0 HG3 ARG A 95 -5.282 12.391 -11.431 1.00 4.41 H new ATOM 0 HD2 ARG A 95 -4.028 10.969 -13.812 1.00 1.42 H new ATOM 0 HD3 ARG A 95 -5.588 11.766 -13.764 1.00 1.42 H new ATOM 0 HE ARG A 95 -3.591 13.697 -13.093 1.00 44.34 H new ATOM 0 HH11 ARG A 95 -4.699 11.786 -15.881 1.00 72.12 H new ATOM 0 HH12 ARG A 95 -4.122 12.976 -17.052 1.00 72.12 H new ATOM 0 HH21 ARG A 95 -2.855 15.177 -14.642 1.00 62.12 H new ATOM 0 HH22 ARG A 95 -3.100 14.857 -16.363 1.00 62.12 H new ATOM 1638 N LYS A 96 -5.257 11.016 -8.554 1.00 41.13 N ATOM 1639 CA LYS A 96 -6.279 11.344 -7.536 1.00 42.33 C ATOM 1640 C LYS A 96 -5.635 11.430 -6.136 1.00 21.51 C ATOM 1641 O LYS A 96 -5.850 12.383 -5.387 1.00 22.12 O ATOM 1642 CB LYS A 96 -7.389 10.257 -7.530 1.00 75.43 C ATOM 1643 CG LYS A 96 -8.185 10.164 -8.846 1.00 13.10 C ATOM 1644 CD LYS A 96 -9.196 8.989 -8.862 1.00 44.43 C ATOM 1645 CE LYS A 96 -9.918 8.865 -10.212 1.00 50.24 C ATOM 1646 NZ LYS A 96 -10.985 7.833 -10.183 1.00 11.13 N ATOM 0 H LYS A 96 -5.424 10.132 -9.034 1.00 41.13 H new ATOM 0 HA LYS A 96 -6.718 12.310 -7.785 1.00 42.33 H new ATOM 0 HB2 LYS A 96 -6.933 9.289 -7.324 1.00 75.43 H new ATOM 0 HB3 LYS A 96 -8.081 10.464 -6.713 1.00 75.43 H new ATOM 0 HG2 LYS A 96 -8.721 11.099 -9.006 1.00 13.10 H new ATOM 0 HG3 LYS A 96 -7.489 10.049 -9.677 1.00 13.10 H new ATOM 0 HD2 LYS A 96 -8.672 8.058 -8.645 1.00 44.43 H new ATOM 0 HD3 LYS A 96 -9.931 9.133 -8.070 1.00 44.43 H new ATOM 0 HE2 LYS A 96 -10.353 9.828 -10.480 1.00 50.24 H new ATOM 0 HE3 LYS A 96 -9.194 8.616 -10.988 1.00 50.24 H new ATOM 0 HZ1 LYS A 96 -11.445 7.783 -11.114 1.00 11.13 H new ATOM 0 HZ2 LYS A 96 -10.568 6.908 -9.953 1.00 11.13 H new ATOM 0 HZ3 LYS A 96 -11.690 8.083 -9.461 1.00 11.13 H new ATOM 1660 N ILE A 97 -4.808 10.416 -5.843 1.00 72.34 N ATOM 1661 CA ILE A 97 -4.156 10.208 -4.536 1.00 3.03 C ATOM 1662 C ILE A 97 -2.858 11.054 -4.428 1.00 62.04 C ATOM 1663 O ILE A 97 -2.451 11.482 -3.339 1.00 0.20 O ATOM 1664 CB ILE A 97 -3.832 8.678 -4.369 1.00 74.21 C ATOM 1665 CG1 ILE A 97 -5.121 7.820 -4.624 1.00 32.34 C ATOM 1666 CG2 ILE A 97 -3.227 8.385 -2.979 1.00 0.43 C ATOM 1667 CD1 ILE A 97 -4.869 6.335 -4.846 1.00 74.43 C ATOM 0 H ILE A 97 -4.566 9.697 -6.525 1.00 72.34 H new ATOM 0 HA ILE A 97 -4.828 10.530 -3.740 1.00 3.03 H new ATOM 0 HB ILE A 97 -3.084 8.400 -5.112 1.00 74.21 H new ATOM 0 HG12 ILE A 97 -5.792 7.937 -3.773 1.00 32.34 H new ATOM 0 HG13 ILE A 97 -5.640 8.220 -5.495 1.00 32.34 H new ATOM 0 HG21 ILE A 97 -3.013 7.320 -2.892 1.00 0.43 H new ATOM 0 HG22 ILE A 97 -2.304 8.951 -2.857 1.00 0.43 H new ATOM 0 HG23 ILE A 97 -3.936 8.677 -2.205 1.00 0.43 H new ATOM 0 HD11 ILE A 97 -5.818 5.826 -5.014 1.00 74.43 H new ATOM 0 HD12 ILE A 97 -4.227 6.201 -5.716 1.00 74.43 H new ATOM 0 HD13 ILE A 97 -4.381 5.913 -3.967 1.00 74.43 H new ATOM 1679 N GLU A 98 -2.251 11.313 -5.591 1.00 15.41 N ATOM 1680 CA GLU A 98 -1.018 12.100 -5.727 1.00 54.14 C ATOM 1681 C GLU A 98 -1.329 13.588 -5.537 1.00 22.13 C ATOM 1682 O GLU A 98 -0.521 14.330 -4.975 1.00 64.15 O ATOM 1683 CB GLU A 98 -0.391 11.825 -7.112 1.00 25.43 C ATOM 1684 CG GLU A 98 0.856 12.660 -7.450 1.00 2.22 C ATOM 1685 CD GLU A 98 1.399 12.353 -8.848 1.00 20.10 C ATOM 1686 OE1 GLU A 98 0.706 12.664 -9.843 1.00 60.30 O ATOM 1687 OE2 GLU A 98 2.499 11.773 -8.965 1.00 20.34 O ATOM 0 H GLU A 98 -2.610 10.975 -6.484 1.00 15.41 H new ATOM 0 HA GLU A 98 -0.300 11.809 -4.960 1.00 54.14 H new ATOM 0 HB2 GLU A 98 -0.127 10.769 -7.169 1.00 25.43 H new ATOM 0 HB3 GLU A 98 -1.147 12.006 -7.876 1.00 25.43 H new ATOM 0 HG2 GLU A 98 0.610 13.720 -7.383 1.00 2.22 H new ATOM 0 HG3 GLU A 98 1.632 12.465 -6.710 1.00 2.22 H new ATOM 1694 N SER A 99 -2.535 14.003 -5.981 1.00 50.31 N ATOM 1695 CA SER A 99 -3.048 15.367 -5.767 1.00 10.25 C ATOM 1696 C SER A 99 -3.286 15.639 -4.260 1.00 73.43 C ATOM 1697 O SER A 99 -3.327 16.796 -3.822 1.00 64.01 O ATOM 1698 CB SER A 99 -4.352 15.564 -6.576 1.00 64.43 C ATOM 1699 OG SER A 99 -4.825 16.900 -6.520 1.00 31.05 O ATOM 0 H SER A 99 -3.177 13.401 -6.497 1.00 50.31 H new ATOM 0 HA SER A 99 -2.304 16.083 -6.116 1.00 10.25 H new ATOM 0 HB2 SER A 99 -4.177 15.286 -7.615 1.00 64.43 H new ATOM 0 HB3 SER A 99 -5.120 14.893 -6.192 1.00 64.43 H new ATOM 0 HG SER A 99 -5.648 16.978 -7.046 1.00 31.05 H new ATOM 1705 N GLN A 100 -3.418 14.551 -3.473 1.00 34.12 N ATOM 1706 CA GLN A 100 -3.590 14.608 -2.003 1.00 15.22 C ATOM 1707 C GLN A 100 -2.222 14.633 -1.278 1.00 1.25 C ATOM 1708 O GLN A 100 -2.174 14.610 -0.046 1.00 4.35 O ATOM 1709 CB GLN A 100 -4.416 13.380 -1.539 1.00 71.44 C ATOM 1710 CG GLN A 100 -5.788 13.227 -2.221 1.00 32.53 C ATOM 1711 CD GLN A 100 -6.467 11.883 -1.923 1.00 40.22 C ATOM 1712 OE1 GLN A 100 -6.294 11.300 -0.853 1.00 44.22 O ATOM 1713 NE2 GLN A 100 -7.231 11.369 -2.879 1.00 34.41 N ATOM 0 H GLN A 100 -3.408 13.600 -3.841 1.00 34.12 H new ATOM 0 HA GLN A 100 -4.117 15.527 -1.749 1.00 15.22 H new ATOM 0 HB2 GLN A 100 -3.833 12.478 -1.722 1.00 71.44 H new ATOM 0 HB3 GLN A 100 -4.567 13.448 -0.462 1.00 71.44 H new ATOM 0 HG2 GLN A 100 -6.441 14.036 -1.894 1.00 32.53 H new ATOM 0 HG3 GLN A 100 -5.664 13.333 -3.299 1.00 32.53 H new ATOM 0 HE21 GLN A 100 -7.358 11.873 -3.757 1.00 34.41 H new ATOM 0 HE22 GLN A 100 -7.691 10.470 -2.736 1.00 34.41 H new ATOM 1722 N GLY A 101 -1.117 14.636 -2.052 1.00 44.14 N ATOM 1723 CA GLY A 101 0.237 14.782 -1.499 1.00 43.14 C ATOM 1724 C GLY A 101 0.871 13.476 -1.037 1.00 20.44 C ATOM 1725 O GLY A 101 1.960 13.503 -0.445 1.00 60.23 O ATOM 0 H GLY A 101 -1.141 14.538 -3.067 1.00 44.14 H new ATOM 0 HA2 GLY A 101 0.878 15.236 -2.255 1.00 43.14 H new ATOM 0 HA3 GLY A 101 0.200 15.472 -0.656 1.00 43.14 H new ATOM 1729 N TYR A 102 0.194 12.335 -1.301 1.00 61.31 N ATOM 1730 CA TYR A 102 0.715 10.998 -0.953 1.00 44.53 C ATOM 1731 C TYR A 102 1.891 10.638 -1.873 1.00 73.44 C ATOM 1732 O TYR A 102 1.889 10.994 -3.059 1.00 30.12 O ATOM 1733 CB TYR A 102 -0.385 9.900 -1.071 1.00 11.25 C ATOM 1734 CG TYR A 102 -1.467 9.918 0.029 1.00 44.15 C ATOM 1735 CD1 TYR A 102 -2.449 10.906 0.065 1.00 72.21 C ATOM 1736 CD2 TYR A 102 -1.516 8.929 1.015 1.00 33.44 C ATOM 1737 CE1 TYR A 102 -3.436 10.911 1.041 1.00 72.44 C ATOM 1738 CE2 TYR A 102 -2.500 8.925 1.987 1.00 52.20 C ATOM 1739 CZ TYR A 102 -3.458 9.916 1.998 1.00 1.01 C ATOM 1740 OH TYR A 102 -4.446 9.905 2.970 1.00 24.01 O ATOM 0 H TYR A 102 -0.719 12.317 -1.756 1.00 61.31 H new ATOM 0 HA TYR A 102 1.049 11.036 0.084 1.00 44.53 H new ATOM 0 HB2 TYR A 102 -0.875 10.005 -2.039 1.00 11.25 H new ATOM 0 HB3 TYR A 102 0.099 8.924 -1.063 1.00 11.25 H new ATOM 0 HD1 TYR A 102 -2.442 11.685 -0.683 1.00 72.21 H new ATOM 0 HD2 TYR A 102 -0.768 8.150 1.018 1.00 33.44 H new ATOM 0 HE1 TYR A 102 -4.184 11.690 1.052 1.00 72.44 H new ATOM 0 HE2 TYR A 102 -2.518 8.147 2.736 1.00 52.20 H new ATOM 0 HH TYR A 102 -4.314 9.136 3.562 1.00 24.01 H new ATOM 1750 N GLU A 103 2.886 9.945 -1.303 1.00 70.43 N ATOM 1751 CA GLU A 103 4.009 9.367 -2.051 1.00 45.23 C ATOM 1752 C GLU A 103 3.485 8.198 -2.907 1.00 2.33 C ATOM 1753 O GLU A 103 3.324 7.091 -2.408 1.00 34.23 O ATOM 1754 CB GLU A 103 5.118 8.898 -1.054 1.00 43.34 C ATOM 1755 CG GLU A 103 6.303 8.120 -1.680 1.00 52.30 C ATOM 1756 CD GLU A 103 7.040 8.896 -2.788 1.00 41.04 C ATOM 1757 OE1 GLU A 103 7.916 9.726 -2.461 1.00 54.45 O ATOM 1758 OE2 GLU A 103 6.759 8.677 -3.987 1.00 71.23 O ATOM 0 H GLU A 103 2.934 9.769 -0.300 1.00 70.43 H new ATOM 0 HA GLU A 103 4.452 10.111 -2.713 1.00 45.23 H new ATOM 0 HB2 GLU A 103 5.514 9.775 -0.542 1.00 43.34 H new ATOM 0 HB3 GLU A 103 4.655 8.268 -0.295 1.00 43.34 H new ATOM 0 HG2 GLU A 103 7.014 7.865 -0.894 1.00 52.30 H new ATOM 0 HG3 GLU A 103 5.932 7.181 -2.092 1.00 52.30 H new ATOM 1765 N VAL A 104 3.159 8.472 -4.180 1.00 64.35 N ATOM 1766 CA VAL A 104 2.571 7.474 -5.094 1.00 71.42 C ATOM 1767 C VAL A 104 3.587 7.118 -6.188 1.00 12.32 C ATOM 1768 O VAL A 104 4.114 8.008 -6.865 1.00 73.01 O ATOM 1769 CB VAL A 104 1.245 7.993 -5.768 1.00 52.10 C ATOM 1770 CG1 VAL A 104 0.579 6.880 -6.615 1.00 42.44 C ATOM 1771 CG2 VAL A 104 0.259 8.551 -4.715 1.00 62.53 C ATOM 0 H VAL A 104 3.294 9.389 -4.606 1.00 64.35 H new ATOM 0 HA VAL A 104 2.322 6.594 -4.501 1.00 71.42 H new ATOM 0 HB VAL A 104 1.514 8.811 -6.437 1.00 52.10 H new ATOM 0 HG11 VAL A 104 -0.334 7.265 -7.069 1.00 42.44 H new ATOM 0 HG12 VAL A 104 1.266 6.559 -7.398 1.00 42.44 H new ATOM 0 HG13 VAL A 104 0.336 6.032 -5.975 1.00 42.44 H new ATOM 0 HG21 VAL A 104 -0.645 8.901 -5.213 1.00 62.53 H new ATOM 0 HG22 VAL A 104 0.002 7.765 -4.005 1.00 62.53 H new ATOM 0 HG23 VAL A 104 0.725 9.381 -4.184 1.00 62.53 H new ATOM 1781 N ARG A 105 3.867 5.818 -6.342 1.00 44.14 N ATOM 1782 CA ARG A 105 4.757 5.291 -7.385 1.00 41.13 C ATOM 1783 C ARG A 105 3.976 4.328 -8.285 1.00 60.04 C ATOM 1784 O ARG A 105 3.099 3.602 -7.813 1.00 1.44 O ATOM 1785 CB ARG A 105 5.963 4.557 -6.742 1.00 24.43 C ATOM 1786 CG ARG A 105 6.879 5.446 -5.874 1.00 54.11 C ATOM 1787 CD ARG A 105 7.644 6.506 -6.686 1.00 1.15 C ATOM 1788 NE ARG A 105 8.624 7.220 -5.850 1.00 34.13 N ATOM 1789 CZ ARG A 105 9.875 6.798 -5.592 1.00 35.41 C ATOM 1790 NH1 ARG A 105 10.330 5.647 -6.085 1.00 43.21 N ATOM 1791 NH2 ARG A 105 10.670 7.536 -4.837 1.00 54.33 N ATOM 0 H ARG A 105 3.477 5.094 -5.739 1.00 44.14 H new ATOM 0 HA ARG A 105 5.134 6.120 -7.984 1.00 41.13 H new ATOM 0 HB2 ARG A 105 5.586 3.740 -6.127 1.00 24.43 H new ATOM 0 HB3 ARG A 105 6.562 4.109 -7.535 1.00 24.43 H new ATOM 0 HG2 ARG A 105 6.276 5.945 -5.115 1.00 54.11 H new ATOM 0 HG3 ARG A 105 7.595 4.814 -5.348 1.00 54.11 H new ATOM 0 HD2 ARG A 105 8.156 6.027 -7.521 1.00 1.15 H new ATOM 0 HD3 ARG A 105 6.938 7.219 -7.112 1.00 1.15 H new ATOM 0 HE ARG A 105 8.331 8.104 -5.434 1.00 34.13 H new ATOM 0 HH11 ARG A 105 9.727 5.069 -6.670 1.00 43.21 H new ATOM 0 HH12 ARG A 105 11.282 5.344 -5.878 1.00 43.21 H new ATOM 0 HH21 ARG A 105 10.334 8.420 -4.454 1.00 54.33 H new ATOM 0 HH22 ARG A 105 11.620 7.222 -4.637 1.00 54.33 H new ATOM 1805 N LYS A 106 4.292 4.347 -9.584 1.00 23.13 N ATOM 1806 CA LYS A 106 3.800 3.350 -10.551 1.00 61.32 C ATOM 1807 C LYS A 106 4.861 2.273 -10.726 1.00 42.34 C ATOM 1808 O LYS A 106 6.058 2.537 -10.536 1.00 21.14 O ATOM 1809 CB LYS A 106 3.513 3.985 -11.936 1.00 74.04 C ATOM 1810 CG LYS A 106 2.386 5.028 -11.954 1.00 52.23 C ATOM 1811 CD LYS A 106 2.060 5.518 -13.390 1.00 51.43 C ATOM 1812 CE LYS A 106 3.252 6.208 -14.079 1.00 32.44 C ATOM 1813 NZ LYS A 106 2.972 6.482 -15.510 1.00 22.31 N ATOM 0 H LYS A 106 4.898 5.055 -9.999 1.00 23.13 H new ATOM 0 HA LYS A 106 2.870 2.934 -10.164 1.00 61.32 H new ATOM 0 HB2 LYS A 106 4.427 4.454 -12.300 1.00 74.04 H new ATOM 0 HB3 LYS A 106 3.262 3.190 -12.638 1.00 74.04 H new ATOM 0 HG2 LYS A 106 1.489 4.599 -11.507 1.00 52.23 H new ATOM 0 HG3 LYS A 106 2.673 5.880 -11.338 1.00 52.23 H new ATOM 0 HD2 LYS A 106 1.741 4.668 -13.994 1.00 51.43 H new ATOM 0 HD3 LYS A 106 1.221 6.212 -13.349 1.00 51.43 H new ATOM 0 HE2 LYS A 106 3.478 7.143 -13.566 1.00 32.44 H new ATOM 0 HE3 LYS A 106 4.137 5.577 -13.995 1.00 32.44 H new ATOM 0 HZ1 LYS A 106 3.839 6.821 -15.975 1.00 22.31 H new ATOM 0 HZ2 LYS A 106 2.649 5.609 -15.974 1.00 22.31 H new ATOM 0 HZ3 LYS A 106 2.232 7.208 -15.586 1.00 22.31 H new ATOM 1827 N VAL A 107 4.417 1.066 -11.091 1.00 24.50 N ATOM 1828 CA VAL A 107 5.313 -0.026 -11.474 1.00 23.10 C ATOM 1829 C VAL A 107 4.542 -1.088 -12.287 1.00 33.44 C ATOM 1830 O VAL A 107 3.328 -1.269 -12.117 1.00 2.01 O ATOM 1831 CB VAL A 107 6.012 -0.667 -10.214 1.00 74.25 C ATOM 1832 CG1 VAL A 107 5.019 -1.452 -9.326 1.00 64.14 C ATOM 1833 CG2 VAL A 107 7.227 -1.521 -10.622 1.00 14.45 C ATOM 0 H VAL A 107 3.428 0.820 -11.129 1.00 24.50 H new ATOM 0 HA VAL A 107 6.102 0.385 -12.104 1.00 23.10 H new ATOM 0 HB VAL A 107 6.383 0.154 -9.601 1.00 74.25 H new ATOM 0 HG11 VAL A 107 5.549 -1.874 -8.472 1.00 64.14 H new ATOM 0 HG12 VAL A 107 4.238 -0.780 -8.972 1.00 64.14 H new ATOM 0 HG13 VAL A 107 4.569 -2.257 -9.907 1.00 64.14 H new ATOM 0 HG21 VAL A 107 7.687 -1.949 -9.731 1.00 14.45 H new ATOM 0 HG22 VAL A 107 6.902 -2.324 -11.284 1.00 14.45 H new ATOM 0 HG23 VAL A 107 7.954 -0.896 -11.141 1.00 14.45 H new ATOM 1843 N THR A 108 5.259 -1.734 -13.215 1.00 43.13 N ATOM 1844 CA THR A 108 4.768 -2.881 -14.001 1.00 40.04 C ATOM 1845 C THR A 108 5.784 -4.048 -13.935 1.00 22.23 C ATOM 1846 O THR A 108 5.473 -5.171 -14.344 1.00 15.02 O ATOM 1847 CB THR A 108 4.503 -2.456 -15.486 1.00 54.43 C ATOM 1848 OG1 THR A 108 5.636 -1.725 -15.984 1.00 3.55 O ATOM 1849 CG2 THR A 108 3.232 -1.590 -15.637 1.00 65.32 C ATOM 0 H THR A 108 6.217 -1.471 -13.448 1.00 43.13 H new ATOM 0 HA THR A 108 3.825 -3.221 -13.573 1.00 40.04 H new ATOM 0 HB THR A 108 4.349 -3.369 -16.062 1.00 54.43 H new ATOM 0 HG1 THR A 108 5.472 -1.460 -16.913 1.00 3.55 H new ATOM 0 HG21 THR A 108 3.096 -1.324 -16.685 1.00 65.32 H new ATOM 0 HG22 THR A 108 2.365 -2.152 -15.290 1.00 65.32 H new ATOM 0 HG23 THR A 108 3.337 -0.682 -15.043 1.00 65.32 H new ATOM 1857 N ASP A 109 6.999 -3.765 -13.417 1.00 21.42 N ATOM 1858 CA ASP A 109 8.043 -4.781 -13.170 1.00 52.33 C ATOM 1859 C ASP A 109 7.883 -5.345 -11.749 1.00 54.44 C ATOM 1860 O ASP A 109 7.721 -4.580 -10.795 1.00 34.22 O ATOM 1861 CB ASP A 109 9.458 -4.167 -13.313 1.00 51.20 C ATOM 1862 CG ASP A 109 9.814 -3.740 -14.740 1.00 52.31 C ATOM 1863 OD1 ASP A 109 10.177 -4.609 -15.555 1.00 1.41 O ATOM 1864 OD2 ASP A 109 9.760 -2.534 -15.051 1.00 50.22 O ATOM 0 H ASP A 109 7.284 -2.820 -13.158 1.00 21.42 H new ATOM 0 HA ASP A 109 7.929 -5.576 -13.907 1.00 52.33 H new ATOM 0 HB2 ASP A 109 9.534 -3.300 -12.656 1.00 51.20 H new ATOM 0 HB3 ASP A 109 10.194 -4.894 -12.969 1.00 51.20 H new ATOM 1869 N ASP A 110 7.965 -6.674 -11.612 1.00 42.01 N ATOM 1870 CA ASP A 110 7.750 -7.356 -10.320 1.00 0.40 C ATOM 1871 C ASP A 110 8.944 -7.142 -9.362 1.00 74.44 C ATOM 1872 O ASP A 110 8.755 -6.891 -8.174 1.00 42.13 O ATOM 1873 CB ASP A 110 7.467 -8.870 -10.531 1.00 21.35 C ATOM 1874 CG ASP A 110 8.656 -9.666 -11.083 1.00 35.25 C ATOM 1875 OD1 ASP A 110 8.894 -9.624 -12.304 1.00 44.20 O ATOM 1876 OD2 ASP A 110 9.369 -10.321 -10.291 1.00 60.44 O ATOM 0 H ASP A 110 8.180 -7.306 -12.383 1.00 42.01 H new ATOM 0 HA ASP A 110 6.872 -6.910 -9.853 1.00 0.40 H new ATOM 0 HB2 ASP A 110 7.164 -9.306 -9.579 1.00 21.35 H new ATOM 0 HB3 ASP A 110 6.625 -8.978 -11.214 1.00 21.35 H new ATOM 1881 N GLU A 111 10.167 -7.210 -9.917 1.00 62.12 N ATOM 1882 CA GLU A 111 11.418 -7.085 -9.143 1.00 43.22 C ATOM 1883 C GLU A 111 11.618 -5.627 -8.711 1.00 41.05 C ATOM 1884 O GLU A 111 12.003 -5.360 -7.574 1.00 41.44 O ATOM 1885 CB GLU A 111 12.619 -7.579 -9.991 1.00 1.53 C ATOM 1886 CG GLU A 111 12.476 -9.037 -10.484 1.00 21.33 C ATOM 1887 CD GLU A 111 13.554 -9.443 -11.501 1.00 22.33 C ATOM 1888 OE1 GLU A 111 13.502 -8.951 -12.651 1.00 33.14 O ATOM 1889 OE2 GLU A 111 14.449 -10.248 -11.166 1.00 44.40 O ATOM 0 H GLU A 111 10.318 -7.353 -10.916 1.00 62.12 H new ATOM 0 HA GLU A 111 11.353 -7.705 -8.249 1.00 43.22 H new ATOM 0 HB2 GLU A 111 12.737 -6.923 -10.854 1.00 1.53 H new ATOM 0 HB3 GLU A 111 13.530 -7.493 -9.399 1.00 1.53 H new ATOM 0 HG2 GLU A 111 12.523 -9.709 -9.627 1.00 21.33 H new ATOM 0 HG3 GLU A 111 11.493 -9.166 -10.936 1.00 21.33 H new ATOM 1896 N GLU A 112 11.312 -4.699 -9.641 1.00 41.51 N ATOM 1897 CA GLU A 112 11.416 -3.250 -9.407 1.00 44.12 C ATOM 1898 C GLU A 112 10.408 -2.802 -8.334 1.00 5.40 C ATOM 1899 O GLU A 112 10.737 -1.959 -7.497 1.00 23.15 O ATOM 1900 CB GLU A 112 11.189 -2.477 -10.734 1.00 11.25 C ATOM 1901 CG GLU A 112 11.334 -0.940 -10.651 1.00 61.03 C ATOM 1902 CD GLU A 112 12.715 -0.489 -10.135 1.00 24.15 C ATOM 1903 OE1 GLU A 112 13.713 -0.626 -10.882 1.00 61.21 O ATOM 1904 OE2 GLU A 112 12.815 0.000 -8.988 1.00 74.32 O ATOM 0 H GLU A 112 10.985 -4.938 -10.577 1.00 41.51 H new ATOM 0 HA GLU A 112 12.419 -3.025 -9.043 1.00 44.12 H new ATOM 0 HB2 GLU A 112 11.896 -2.850 -11.475 1.00 11.25 H new ATOM 0 HB3 GLU A 112 10.189 -2.709 -11.101 1.00 11.25 H new ATOM 0 HG2 GLU A 112 11.164 -0.511 -11.639 1.00 61.03 H new ATOM 0 HG3 GLU A 112 10.560 -0.543 -9.994 1.00 61.03 H new ATOM 1911 N ALA A 113 9.191 -3.404 -8.358 1.00 41.14 N ATOM 1912 CA ALA A 113 8.141 -3.166 -7.348 1.00 4.12 C ATOM 1913 C ALA A 113 8.688 -3.381 -5.932 1.00 1.34 C ATOM 1914 O ALA A 113 8.542 -2.518 -5.070 1.00 72.03 O ATOM 1915 CB ALA A 113 6.938 -4.092 -7.599 1.00 23.14 C ATOM 0 H ALA A 113 8.915 -4.068 -9.082 1.00 41.14 H new ATOM 0 HA ALA A 113 7.813 -2.130 -7.435 1.00 4.12 H new ATOM 0 HB1 ALA A 113 6.172 -3.905 -6.847 1.00 23.14 H new ATOM 0 HB2 ALA A 113 6.529 -3.896 -8.590 1.00 23.14 H new ATOM 0 HB3 ALA A 113 7.260 -5.132 -7.538 1.00 23.14 H new ATOM 1921 N LEU A 114 9.393 -4.518 -5.761 1.00 32.51 N ATOM 1922 CA LEU A 114 9.997 -4.931 -4.482 1.00 31.41 C ATOM 1923 C LEU A 114 11.033 -3.892 -3.989 1.00 71.50 C ATOM 1924 O LEU A 114 11.181 -3.675 -2.784 1.00 4.14 O ATOM 1925 CB LEU A 114 10.687 -6.314 -4.637 1.00 22.14 C ATOM 1926 CG LEU A 114 9.821 -7.475 -5.202 1.00 31.32 C ATOM 1927 CD1 LEU A 114 10.650 -8.770 -5.351 1.00 70.34 C ATOM 1928 CD2 LEU A 114 8.558 -7.711 -4.356 1.00 1.31 C ATOM 0 H LEU A 114 9.560 -5.182 -6.517 1.00 32.51 H new ATOM 0 HA LEU A 114 9.198 -5.001 -3.744 1.00 31.41 H new ATOM 0 HB2 LEU A 114 11.553 -6.190 -5.287 1.00 22.14 H new ATOM 0 HB3 LEU A 114 11.063 -6.616 -3.660 1.00 22.14 H new ATOM 0 HG LEU A 114 9.489 -7.177 -6.196 1.00 31.32 H new ATOM 0 HD11 LEU A 114 10.017 -9.564 -5.748 1.00 70.34 H new ATOM 0 HD12 LEU A 114 11.481 -8.593 -6.033 1.00 70.34 H new ATOM 0 HD13 LEU A 114 11.037 -9.068 -4.377 1.00 70.34 H new ATOM 0 HD21 LEU A 114 7.981 -8.530 -4.785 1.00 1.31 H new ATOM 0 HD22 LEU A 114 8.846 -7.965 -3.336 1.00 1.31 H new ATOM 0 HD23 LEU A 114 7.951 -6.805 -4.347 1.00 1.31 H new ATOM 1940 N LYS A 115 11.747 -3.261 -4.952 1.00 63.23 N ATOM 1941 CA LYS A 115 12.820 -2.287 -4.659 1.00 22.34 C ATOM 1942 C LYS A 115 12.224 -0.935 -4.226 1.00 4.42 C ATOM 1943 O LYS A 115 12.791 -0.250 -3.370 1.00 0.55 O ATOM 1944 CB LYS A 115 13.762 -2.089 -5.883 1.00 64.34 C ATOM 1945 CG LYS A 115 14.334 -3.374 -6.538 1.00 41.44 C ATOM 1946 CD LYS A 115 15.131 -4.321 -5.581 1.00 64.43 C ATOM 1947 CE LYS A 115 14.270 -5.443 -4.966 1.00 73.10 C ATOM 1948 NZ LYS A 115 15.056 -6.381 -4.137 1.00 62.05 N ATOM 0 H LYS A 115 11.594 -3.414 -5.949 1.00 63.23 H new ATOM 0 HA LYS A 115 13.413 -2.691 -3.839 1.00 22.34 H new ATOM 0 HB2 LYS A 115 13.217 -1.532 -6.645 1.00 64.34 H new ATOM 0 HB3 LYS A 115 14.599 -1.465 -5.570 1.00 64.34 H new ATOM 0 HG2 LYS A 115 13.508 -3.937 -6.973 1.00 41.44 H new ATOM 0 HG3 LYS A 115 14.988 -3.082 -7.359 1.00 41.44 H new ATOM 0 HD2 LYS A 115 15.957 -4.769 -6.132 1.00 64.43 H new ATOM 0 HD3 LYS A 115 15.568 -3.728 -4.778 1.00 64.43 H new ATOM 0 HE2 LYS A 115 13.484 -4.998 -4.356 1.00 73.10 H new ATOM 0 HE3 LYS A 115 13.778 -5.997 -5.766 1.00 73.10 H new ATOM 0 HZ1 LYS A 115 14.453 -6.765 -3.381 1.00 62.05 H new ATOM 0 HZ2 LYS A 115 15.406 -7.160 -4.731 1.00 62.05 H new ATOM 0 HZ3 LYS A 115 15.863 -5.879 -3.715 1.00 62.05 H new ATOM 1962 N ILE A 116 11.074 -0.570 -4.831 1.00 14.53 N ATOM 1963 CA ILE A 116 10.324 0.647 -4.467 1.00 62.31 C ATOM 1964 C ILE A 116 9.791 0.518 -3.017 1.00 63.31 C ATOM 1965 O ILE A 116 9.752 1.499 -2.265 1.00 34.42 O ATOM 1966 CB ILE A 116 9.122 0.912 -5.457 1.00 1.42 C ATOM 1967 CG1 ILE A 116 9.596 0.984 -6.952 1.00 1.04 C ATOM 1968 CG2 ILE A 116 8.362 2.198 -5.069 1.00 35.30 C ATOM 1969 CD1 ILE A 116 10.425 2.208 -7.321 1.00 44.33 C ATOM 0 H ILE A 116 10.642 -1.109 -5.582 1.00 14.53 H new ATOM 0 HA ILE A 116 11.006 1.494 -4.538 1.00 62.31 H new ATOM 0 HB ILE A 116 8.442 0.064 -5.369 1.00 1.42 H new ATOM 0 HG12 ILE A 116 10.181 0.091 -7.172 1.00 1.04 H new ATOM 0 HG13 ILE A 116 8.716 0.956 -7.595 1.00 1.04 H new ATOM 0 HG21 ILE A 116 7.539 2.359 -5.766 1.00 35.30 H new ATOM 0 HG22 ILE A 116 7.967 2.096 -4.058 1.00 35.30 H new ATOM 0 HG23 ILE A 116 9.042 3.049 -5.109 1.00 35.30 H new ATOM 0 HD11 ILE A 116 10.699 2.157 -8.375 1.00 44.33 H new ATOM 0 HD12 ILE A 116 9.841 3.111 -7.141 1.00 44.33 H new ATOM 0 HD13 ILE A 116 11.328 2.233 -6.712 1.00 44.33 H new ATOM 1981 N VAL A 117 9.402 -0.724 -2.640 1.00 11.55 N ATOM 1982 CA VAL A 117 8.993 -1.058 -1.260 1.00 1.34 C ATOM 1983 C VAL A 117 10.179 -0.841 -0.291 1.00 42.25 C ATOM 1984 O VAL A 117 9.979 -0.385 0.832 1.00 45.21 O ATOM 1985 CB VAL A 117 8.468 -2.544 -1.129 1.00 41.35 C ATOM 1986 CG1 VAL A 117 7.956 -2.847 0.303 1.00 20.35 C ATOM 1987 CG2 VAL A 117 7.371 -2.849 -2.168 1.00 34.30 C ATOM 0 H VAL A 117 9.364 -1.516 -3.282 1.00 11.55 H new ATOM 0 HA VAL A 117 8.169 -0.394 -1.000 1.00 1.34 H new ATOM 0 HB VAL A 117 9.317 -3.198 -1.328 1.00 41.35 H new ATOM 0 HG11 VAL A 117 7.604 -3.877 0.353 1.00 20.35 H new ATOM 0 HG12 VAL A 117 8.767 -2.706 1.017 1.00 20.35 H new ATOM 0 HG13 VAL A 117 7.136 -2.171 0.547 1.00 20.35 H new ATOM 0 HG21 VAL A 117 7.033 -3.879 -2.049 1.00 34.30 H new ATOM 0 HG22 VAL A 117 6.530 -2.172 -2.019 1.00 34.30 H new ATOM 0 HG23 VAL A 117 7.773 -2.713 -3.172 1.00 34.30 H new ATOM 1997 N ARG A 118 11.409 -1.165 -0.752 1.00 73.12 N ATOM 1998 CA ARG A 118 12.647 -0.988 0.048 1.00 73.14 C ATOM 1999 C ARG A 118 12.931 0.496 0.323 1.00 55.11 C ATOM 2000 O ARG A 118 13.438 0.838 1.401 1.00 74.33 O ATOM 2001 CB ARG A 118 13.863 -1.668 -0.633 1.00 23.33 C ATOM 2002 CG ARG A 118 13.748 -3.201 -0.709 1.00 53.24 C ATOM 2003 CD ARG A 118 15.004 -3.868 -1.287 1.00 23.43 C ATOM 2004 NE ARG A 118 14.891 -5.329 -1.235 1.00 64.41 N ATOM 2005 CZ ARG A 118 15.902 -6.189 -1.046 1.00 32.33 C ATOM 2006 NH1 ARG A 118 17.143 -5.763 -0.853 1.00 72.23 N ATOM 2007 NH2 ARG A 118 15.658 -7.486 -1.071 1.00 25.14 N ATOM 0 H ARG A 118 11.573 -1.553 -1.681 1.00 73.12 H new ATOM 0 HA ARG A 118 12.485 -1.479 1.008 1.00 73.14 H new ATOM 0 HB2 ARG A 118 13.974 -1.270 -1.642 1.00 23.33 H new ATOM 0 HB3 ARG A 118 14.769 -1.406 -0.086 1.00 23.33 H new ATOM 0 HG2 ARG A 118 13.560 -3.596 0.289 1.00 53.24 H new ATOM 0 HG3 ARG A 118 12.887 -3.465 -1.323 1.00 53.24 H new ATOM 0 HD2 ARG A 118 15.149 -3.547 -2.318 1.00 23.43 H new ATOM 0 HD3 ARG A 118 15.882 -3.547 -0.726 1.00 23.43 H new ATOM 0 HE ARG A 118 13.959 -5.727 -1.353 1.00 64.41 H new ATOM 0 HH11 ARG A 118 17.344 -4.763 -0.846 1.00 72.23 H new ATOM 0 HH12 ARG A 118 17.897 -6.435 -0.711 1.00 72.23 H new ATOM 0 HH21 ARG A 118 14.709 -7.823 -1.233 1.00 25.14 H new ATOM 0 HH22 ARG A 118 16.418 -8.151 -0.929 1.00 25.14 H new ATOM 2021 N GLU A 119 12.600 1.371 -0.663 1.00 2.23 N ATOM 2022 CA GLU A 119 12.628 2.832 -0.467 1.00 65.32 C ATOM 2023 C GLU A 119 11.683 3.206 0.673 1.00 21.33 C ATOM 2024 O GLU A 119 12.094 3.815 1.656 1.00 21.24 O ATOM 2025 CB GLU A 119 12.216 3.600 -1.750 1.00 3.40 C ATOM 2026 CG GLU A 119 13.178 3.452 -2.935 1.00 64.55 C ATOM 2027 CD GLU A 119 12.794 4.370 -4.111 1.00 2.51 C ATOM 2028 OE1 GLU A 119 12.822 5.609 -3.932 1.00 32.10 O ATOM 2029 OE2 GLU A 119 12.468 3.869 -5.209 1.00 43.53 O ATOM 0 H GLU A 119 12.312 1.083 -1.598 1.00 2.23 H new ATOM 0 HA GLU A 119 13.652 3.116 -0.225 1.00 65.32 H new ATOM 0 HB2 GLU A 119 11.229 3.257 -2.059 1.00 3.40 H new ATOM 0 HB3 GLU A 119 12.124 4.659 -1.507 1.00 3.40 H new ATOM 0 HG2 GLU A 119 14.192 3.685 -2.610 1.00 64.55 H new ATOM 0 HG3 GLU A 119 13.182 2.415 -3.271 1.00 64.55 H new ATOM 2036 N PHE A 120 10.427 2.751 0.529 1.00 71.45 N ATOM 2037 CA PHE A 120 9.323 3.056 1.448 1.00 74.21 C ATOM 2038 C PHE A 120 9.637 2.660 2.893 1.00 12.21 C ATOM 2039 O PHE A 120 9.382 3.433 3.804 1.00 11.43 O ATOM 2040 CB PHE A 120 8.033 2.345 0.963 1.00 21.24 C ATOM 2041 CG PHE A 120 7.438 2.874 -0.345 1.00 1.42 C ATOM 2042 CD1 PHE A 120 7.921 4.037 -0.972 1.00 12.21 C ATOM 2043 CD2 PHE A 120 6.354 2.225 -0.926 1.00 70.00 C ATOM 2044 CE1 PHE A 120 7.338 4.510 -2.128 1.00 44.32 C ATOM 2045 CE2 PHE A 120 5.777 2.712 -2.072 1.00 13.33 C ATOM 2046 CZ PHE A 120 6.264 3.848 -2.673 1.00 10.43 C ATOM 0 H PHE A 120 10.148 2.149 -0.246 1.00 71.45 H new ATOM 0 HA PHE A 120 9.177 4.136 1.442 1.00 74.21 H new ATOM 0 HB2 PHE A 120 8.249 1.284 0.840 1.00 21.24 H new ATOM 0 HB3 PHE A 120 7.278 2.428 1.745 1.00 21.24 H new ATOM 0 HD1 PHE A 120 8.759 4.566 -0.542 1.00 12.21 H new ATOM 0 HD2 PHE A 120 5.962 1.328 -0.470 1.00 70.00 H new ATOM 0 HE1 PHE A 120 7.724 5.399 -2.604 1.00 44.32 H new ATOM 0 HE2 PHE A 120 4.932 2.198 -2.506 1.00 13.33 H new ATOM 0 HZ PHE A 120 5.802 4.221 -3.575 1.00 10.43 H new ATOM 2056 N MET A 121 10.195 1.456 3.072 1.00 23.53 N ATOM 2057 CA MET A 121 10.522 0.902 4.396 1.00 70.10 C ATOM 2058 C MET A 121 11.686 1.647 5.074 1.00 41.04 C ATOM 2059 O MET A 121 11.701 1.778 6.297 1.00 73.03 O ATOM 2060 CB MET A 121 10.850 -0.608 4.271 1.00 73.22 C ATOM 2061 CG MET A 121 9.662 -1.487 3.871 1.00 61.34 C ATOM 2062 SD MET A 121 10.095 -3.234 3.826 1.00 45.30 S ATOM 2063 CE MET A 121 11.151 -3.348 2.379 1.00 34.44 C ATOM 0 H MET A 121 10.434 0.834 2.300 1.00 23.53 H new ATOM 0 HA MET A 121 9.646 1.036 5.030 1.00 70.10 H new ATOM 0 HB2 MET A 121 11.643 -0.734 3.534 1.00 73.22 H new ATOM 0 HB3 MET A 121 11.242 -0.961 5.225 1.00 73.22 H new ATOM 0 HG2 MET A 121 8.845 -1.335 4.577 1.00 61.34 H new ATOM 0 HG3 MET A 121 9.298 -1.179 2.891 1.00 61.34 H new ATOM 0 HE1 MET A 121 11.135 -4.369 1.997 1.00 34.44 H new ATOM 0 HE2 MET A 121 10.788 -2.667 1.609 1.00 34.44 H new ATOM 0 HE3 MET A 121 12.171 -3.078 2.651 1.00 34.44 H new ATOM 2073 N GLN A 122 12.675 2.085 4.281 1.00 75.25 N ATOM 2074 CA GLN A 122 13.865 2.798 4.800 1.00 14.32 C ATOM 2075 C GLN A 122 13.524 4.265 5.156 1.00 10.55 C ATOM 2076 O GLN A 122 14.031 4.812 6.145 1.00 14.35 O ATOM 2077 CB GLN A 122 15.011 2.718 3.756 1.00 24.31 C ATOM 2078 CG GLN A 122 16.397 3.134 4.278 1.00 41.45 C ATOM 2079 CD GLN A 122 17.505 2.936 3.237 1.00 25.43 C ATOM 2080 OE1 GLN A 122 18.126 1.872 3.158 1.00 51.23 O ATOM 2081 NE2 GLN A 122 17.748 3.949 2.419 1.00 2.23 N ATOM 0 H GLN A 122 12.679 1.959 3.269 1.00 75.25 H new ATOM 0 HA GLN A 122 14.196 2.316 5.720 1.00 14.32 H new ATOM 0 HB2 GLN A 122 15.072 1.696 3.383 1.00 24.31 H new ATOM 0 HB3 GLN A 122 14.754 3.352 2.907 1.00 24.31 H new ATOM 0 HG2 GLN A 122 16.369 4.182 4.578 1.00 41.45 H new ATOM 0 HG3 GLN A 122 16.634 2.554 5.170 1.00 41.45 H new ATOM 0 HE21 GLN A 122 17.218 4.816 2.509 1.00 2.23 H new ATOM 0 HE22 GLN A 122 18.465 3.862 1.699 1.00 2.23 H new ATOM 2090 N LYS A 123 12.625 4.869 4.360 1.00 64.50 N ATOM 2091 CA LYS A 123 12.170 6.264 4.553 1.00 3.32 C ATOM 2092 C LYS A 123 11.177 6.336 5.727 1.00 73.33 C ATOM 2093 O LYS A 123 11.234 7.252 6.552 1.00 55.42 O ATOM 2094 CB LYS A 123 11.549 6.801 3.231 1.00 42.13 C ATOM 2095 CG LYS A 123 12.569 6.866 2.069 1.00 20.11 C ATOM 2096 CD LYS A 123 11.945 7.218 0.696 1.00 12.25 C ATOM 2097 CE LYS A 123 13.004 7.228 -0.428 1.00 71.00 C ATOM 2098 NZ LYS A 123 12.424 7.504 -1.766 1.00 42.01 N ATOM 0 H LYS A 123 12.190 4.406 3.562 1.00 64.50 H new ATOM 0 HA LYS A 123 13.020 6.899 4.804 1.00 3.32 H new ATOM 0 HB2 LYS A 123 10.716 6.161 2.941 1.00 42.13 H new ATOM 0 HB3 LYS A 123 11.141 7.796 3.405 1.00 42.13 H new ATOM 0 HG2 LYS A 123 13.331 7.607 2.310 1.00 20.11 H new ATOM 0 HG3 LYS A 123 13.075 5.904 1.990 1.00 20.11 H new ATOM 0 HD2 LYS A 123 11.165 6.495 0.455 1.00 12.25 H new ATOM 0 HD3 LYS A 123 11.467 8.196 0.754 1.00 12.25 H new ATOM 0 HE2 LYS A 123 13.759 7.981 -0.202 1.00 71.00 H new ATOM 0 HE3 LYS A 123 13.512 6.264 -0.450 1.00 71.00 H new ATOM 0 HZ1 LYS A 123 12.658 6.725 -2.413 1.00 42.01 H new ATOM 0 HZ2 LYS A 123 11.391 7.589 -1.686 1.00 42.01 H new ATOM 0 HZ3 LYS A 123 12.816 8.393 -2.138 1.00 42.01 H new ATOM 2112 N ALA A 124 10.291 5.328 5.801 1.00 53.42 N ATOM 2113 CA ALA A 124 9.375 5.130 6.936 1.00 72.50 C ATOM 2114 C ALA A 124 10.162 4.743 8.194 1.00 34.43 C ATOM 2115 O ALA A 124 9.786 5.113 9.303 1.00 74.34 O ATOM 2116 CB ALA A 124 8.337 4.045 6.614 1.00 43.12 C ATOM 0 H ALA A 124 10.190 4.624 5.070 1.00 53.42 H new ATOM 0 HA ALA A 124 8.852 6.069 7.119 1.00 72.50 H new ATOM 0 HB1 ALA A 124 7.670 3.915 7.466 1.00 43.12 H new ATOM 0 HB2 ALA A 124 7.756 4.344 5.742 1.00 43.12 H new ATOM 0 HB3 ALA A 124 8.847 3.104 6.405 1.00 43.12 H new ATOM 2122 N GLY A 125 11.258 3.987 7.991 1.00 44.22 N ATOM 2123 CA GLY A 125 12.154 3.587 9.074 1.00 61.10 C ATOM 2124 C GLY A 125 12.807 4.781 9.758 1.00 50.30 C ATOM 2125 O GLY A 125 13.019 4.763 10.972 1.00 21.24 O ATOM 0 H GLY A 125 11.539 3.642 7.073 1.00 44.22 H new ATOM 0 HA2 GLY A 125 11.594 3.011 9.811 1.00 61.10 H new ATOM 0 HA3 GLY A 125 12.929 2.931 8.677 1.00 61.10 H new ATOM 2129 N SER A 126 13.104 5.827 8.964 1.00 11.12 N ATOM 2130 CA SER A 126 13.717 7.082 9.451 1.00 30.20 C ATOM 2131 C SER A 126 12.726 7.906 10.309 1.00 22.20 C ATOM 2132 O SER A 126 13.141 8.776 11.084 1.00 23.02 O ATOM 2133 CB SER A 126 14.212 7.905 8.246 1.00 12.24 C ATOM 2134 OG SER A 126 15.161 7.179 7.493 1.00 52.23 O ATOM 0 H SER A 126 12.925 5.827 7.960 1.00 11.12 H new ATOM 0 HA SER A 126 14.562 6.831 10.093 1.00 30.20 H new ATOM 0 HB2 SER A 126 13.367 8.172 7.612 1.00 12.24 H new ATOM 0 HB3 SER A 126 14.656 8.837 8.595 1.00 12.24 H new ATOM 0 HG SER A 126 14.722 6.417 7.060 1.00 52.23 H new ATOM 2140 N LEU A 127 11.422 7.644 10.110 1.00 30.23 N ATOM 2141 CA LEU A 127 10.328 8.221 10.917 1.00 31.23 C ATOM 2142 C LEU A 127 10.086 7.356 12.174 1.00 5.44 C ATOM 2143 O LEU A 127 9.778 7.879 13.252 1.00 54.12 O ATOM 2144 CB LEU A 127 9.036 8.300 10.061 1.00 40.02 C ATOM 2145 CG LEU A 127 9.149 9.120 8.740 1.00 3.15 C ATOM 2146 CD1 LEU A 127 7.888 8.967 7.868 1.00 13.51 C ATOM 2147 CD2 LEU A 127 9.453 10.601 9.035 1.00 10.25 C ATOM 0 H LEU A 127 11.092 7.018 9.375 1.00 30.23 H new ATOM 0 HA LEU A 127 10.606 9.226 11.235 1.00 31.23 H new ATOM 0 HB2 LEU A 127 8.725 7.286 9.812 1.00 40.02 H new ATOM 0 HB3 LEU A 127 8.244 8.736 10.671 1.00 40.02 H new ATOM 0 HG LEU A 127 9.985 8.715 8.170 1.00 3.15 H new ATOM 0 HD11 LEU A 127 8.003 9.553 6.956 1.00 13.51 H new ATOM 0 HD12 LEU A 127 7.749 7.917 7.610 1.00 13.51 H new ATOM 0 HD13 LEU A 127 7.018 9.323 8.420 1.00 13.51 H new ATOM 0 HD21 LEU A 127 9.527 11.151 8.097 1.00 10.25 H new ATOM 0 HD22 LEU A 127 8.651 11.023 9.641 1.00 10.25 H new ATOM 0 HD23 LEU A 127 10.396 10.678 9.576 1.00 10.25 H new ATOM 2159 N GLU A 128 10.228 6.028 11.999 1.00 64.53 N ATOM 2160 CA GLU A 128 9.990 5.027 13.057 1.00 71.54 C ATOM 2161 C GLU A 128 11.087 5.141 14.131 1.00 24.23 C ATOM 2162 O GLU A 128 10.808 5.494 15.280 1.00 40.05 O ATOM 2163 CB GLU A 128 9.915 3.617 12.393 1.00 3.31 C ATOM 2164 CG GLU A 128 9.661 2.417 13.343 1.00 0.11 C ATOM 2165 CD GLU A 128 10.944 1.766 13.904 1.00 33.55 C ATOM 2166 OE1 GLU A 128 11.697 1.144 13.113 1.00 43.21 O ATOM 2167 OE2 GLU A 128 11.198 1.862 15.127 1.00 32.11 O ATOM 0 H GLU A 128 10.514 5.616 11.111 1.00 64.53 H new ATOM 0 HA GLU A 128 9.043 5.201 13.567 1.00 71.54 H new ATOM 0 HB2 GLU A 128 9.122 3.634 11.645 1.00 3.31 H new ATOM 0 HB3 GLU A 128 10.850 3.440 11.862 1.00 3.31 H new ATOM 0 HG2 GLU A 128 9.044 2.753 14.176 1.00 0.11 H new ATOM 0 HG3 GLU A 128 9.088 1.660 12.807 1.00 0.11 H new ATOM 2174 N HIS A 129 12.337 4.840 13.745 1.00 5.10 N ATOM 2175 CA HIS A 129 13.521 5.210 14.533 1.00 54.15 C ATOM 2176 C HIS A 129 13.829 6.680 14.236 1.00 20.21 C ATOM 2177 O HIS A 129 14.242 7.012 13.116 1.00 33.12 O ATOM 2178 CB HIS A 129 14.733 4.295 14.211 1.00 30.12 C ATOM 2179 CG HIS A 129 14.598 2.899 14.745 1.00 2.21 C ATOM 2180 ND1 HIS A 129 14.826 1.771 13.993 1.00 1.20 N ATOM 2181 CD2 HIS A 129 14.274 2.459 15.983 1.00 23.12 C ATOM 2182 CE1 HIS A 129 14.649 0.703 14.744 1.00 54.02 C ATOM 2183 NE2 HIS A 129 14.316 1.094 15.955 1.00 2.15 N ATOM 0 H HIS A 129 12.554 4.337 12.884 1.00 5.10 H new ATOM 0 HA HIS A 129 13.321 5.075 15.596 1.00 54.15 H new ATOM 0 HB2 HIS A 129 14.864 4.249 13.130 1.00 30.12 H new ATOM 0 HB3 HIS A 129 15.636 4.746 14.623 1.00 30.12 H new ATOM 0 HD2 HIS A 129 14.028 3.074 16.836 1.00 23.12 H new ATOM 0 HE1 HIS A 129 14.759 -0.321 14.420 1.00 54.02 H new ATOM 0 HE2 HIS A 129 14.121 0.478 16.744 1.00 2.15 H new ATOM 2192 N HIS A 130 13.576 7.542 15.241 1.00 64.21 N ATOM 2193 CA HIS A 130 13.607 9.005 15.113 1.00 30.32 C ATOM 2194 C HIS A 130 14.991 9.521 14.661 1.00 62.01 C ATOM 2195 O HIS A 130 15.929 9.632 15.460 1.00 24.34 O ATOM 2196 CB HIS A 130 13.196 9.649 16.465 1.00 24.35 C ATOM 2197 CG HIS A 130 13.244 11.156 16.477 1.00 42.51 C ATOM 2198 ND1 HIS A 130 14.317 11.864 16.967 1.00 52.13 N ATOM 2199 CD2 HIS A 130 12.353 12.083 16.058 1.00 31.22 C ATOM 2200 CE1 HIS A 130 14.080 13.151 16.849 1.00 2.51 C ATOM 2201 NE2 HIS A 130 12.896 13.307 16.299 1.00 35.34 N ATOM 0 H HIS A 130 13.340 7.229 16.183 1.00 64.21 H new ATOM 0 HA HIS A 130 12.896 9.293 14.338 1.00 30.32 H new ATOM 0 HB2 HIS A 130 12.185 9.328 16.714 1.00 24.35 H new ATOM 0 HB3 HIS A 130 13.853 9.270 17.248 1.00 24.35 H new ATOM 0 HD2 HIS A 130 11.388 11.888 15.614 1.00 31.22 H new ATOM 0 HE1 HIS A 130 14.745 13.946 17.152 1.00 2.51 H new ATOM 0 HE2 HIS A 130 12.455 14.202 16.087 1.00 35.34 H new ATOM 2210 N HIS A 131 15.105 9.780 13.357 1.00 62.52 N ATOM 2211 CA HIS A 131 16.239 10.516 12.775 1.00 43.44 C ATOM 2212 C HIS A 131 16.027 12.032 12.982 1.00 62.30 C ATOM 2213 O HIS A 131 15.084 12.448 13.675 1.00 34.54 O ATOM 2214 CB HIS A 131 16.391 10.147 11.269 1.00 63.44 C ATOM 2215 CG HIS A 131 16.938 8.761 11.001 1.00 73.21 C ATOM 2216 ND1 HIS A 131 17.482 8.392 9.790 1.00 52.34 N ATOM 2217 CD2 HIS A 131 17.032 7.663 11.786 1.00 1.24 C ATOM 2218 CE1 HIS A 131 17.877 7.140 9.846 1.00 24.45 C ATOM 2219 NE2 HIS A 131 17.616 6.677 11.046 1.00 54.34 N ATOM 0 H HIS A 131 14.413 9.486 12.668 1.00 62.52 H new ATOM 0 HA HIS A 131 17.166 10.236 13.275 1.00 43.44 H new ATOM 0 HB2 HIS A 131 15.417 10.236 10.789 1.00 63.44 H new ATOM 0 HB3 HIS A 131 17.047 10.878 10.796 1.00 63.44 H new ATOM 0 HD2 HIS A 131 16.704 7.582 12.812 1.00 1.24 H new ATOM 0 HE1 HIS A 131 18.338 6.586 9.041 1.00 24.45 H new ATOM 0 HE2 HIS A 131 17.817 5.732 11.373 1.00 54.34 H new ATOM 2228 N HIS A 132 16.924 12.850 12.422 1.00 51.44 N ATOM 2229 CA HIS A 132 16.797 14.322 12.458 1.00 10.13 C ATOM 2230 C HIS A 132 15.638 14.771 11.553 1.00 5.41 C ATOM 2231 O HIS A 132 15.292 14.064 10.600 1.00 25.15 O ATOM 2232 CB HIS A 132 18.133 14.985 12.047 1.00 64.41 C ATOM 2233 CG HIS A 132 19.258 14.691 13.006 1.00 33.53 C ATOM 2234 ND1 HIS A 132 19.371 15.310 14.231 1.00 14.51 N ATOM 2235 CD2 HIS A 132 20.298 13.824 12.933 1.00 43.42 C ATOM 2236 CE1 HIS A 132 20.420 14.832 14.870 1.00 72.25 C ATOM 2237 NE2 HIS A 132 20.998 13.933 14.102 1.00 35.34 N ATOM 0 H HIS A 132 17.756 12.519 11.933 1.00 51.44 H new ATOM 0 HA HIS A 132 16.570 14.641 13.475 1.00 10.13 H new ATOM 0 HB2 HIS A 132 18.412 14.639 11.052 1.00 64.41 H new ATOM 0 HB3 HIS A 132 17.992 16.064 11.982 1.00 64.41 H new ATOM 0 HD2 HIS A 132 20.530 13.170 12.106 1.00 43.42 H new ATOM 0 HE1 HIS A 132 20.749 15.128 15.855 1.00 72.25 H new ATOM 0 HE2 HIS A 132 21.835 13.402 14.341 1.00 35.34 H new ATOM 2246 N HIS A 133 15.035 15.935 11.871 1.00 1.04 N ATOM 2247 CA HIS A 133 13.800 16.412 11.214 1.00 12.22 C ATOM 2248 C HIS A 133 13.995 16.589 9.695 1.00 1.24 C ATOM 2249 O HIS A 133 14.850 17.366 9.261 1.00 2.41 O ATOM 2250 CB HIS A 133 13.314 17.743 11.857 1.00 4.15 C ATOM 2251 CG HIS A 133 12.000 18.255 11.295 1.00 62.52 C ATOM 2252 ND1 HIS A 133 10.773 17.885 11.801 1.00 74.03 N ATOM 2253 CD2 HIS A 133 11.728 19.106 10.270 1.00 3.23 C ATOM 2254 CE1 HIS A 133 9.816 18.464 11.106 1.00 42.54 C ATOM 2255 NE2 HIS A 133 10.369 19.212 10.178 1.00 33.44 N ATOM 0 H HIS A 133 15.389 16.569 12.588 1.00 1.04 H new ATOM 0 HA HIS A 133 13.035 15.650 11.364 1.00 12.22 H new ATOM 0 HB2 HIS A 133 13.206 17.597 12.932 1.00 4.15 H new ATOM 0 HB3 HIS A 133 14.080 18.505 11.714 1.00 4.15 H new ATOM 0 HD2 HIS A 133 12.452 19.606 9.644 1.00 3.23 H new ATOM 0 HE1 HIS A 133 8.755 18.344 11.271 1.00 42.54 H new ATOM 0 HE2 HIS A 133 9.865 19.781 9.498 1.00 33.44 H new ATOM 2264 N HIS A 134 13.179 15.865 8.911 1.00 60.30 N ATOM 2265 CA HIS A 134 13.185 15.925 7.436 1.00 62.32 C ATOM 2266 C HIS A 134 11.740 16.184 6.926 1.00 63.52 C ATOM 2267 O HIS A 134 11.061 15.259 6.433 1.00 63.35 O ATOM 2268 CB HIS A 134 13.855 14.628 6.858 1.00 70.24 C ATOM 2269 CG HIS A 134 13.464 13.331 7.541 1.00 61.03 C ATOM 2270 ND1 HIS A 134 14.266 12.697 8.464 1.00 12.52 N ATOM 2271 CD2 HIS A 134 12.366 12.549 7.421 1.00 3.05 C ATOM 2272 CE1 HIS A 134 13.683 11.594 8.874 1.00 23.23 C ATOM 2273 NE2 HIS A 134 12.528 11.479 8.260 1.00 34.31 N ATOM 2274 OXT HIS A 134 11.259 17.325 7.093 1.00 37.24 O ATOM 0 H HIS A 134 12.489 15.214 9.285 1.00 60.30 H new ATOM 0 HA HIS A 134 13.788 16.758 7.076 1.00 62.32 H new ATOM 0 HB2 HIS A 134 13.604 14.551 5.800 1.00 70.24 H new ATOM 0 HB3 HIS A 134 14.937 14.740 6.922 1.00 70.24 H new ATOM 0 HD1 HIS A 134 15.175 13.033 8.781 1.00 12.52 H new ATOM 0 HD2 HIS A 134 11.517 12.735 6.780 1.00 3.05 H new ATOM 0 HE1 HIS A 134 14.086 10.898 9.595 1.00 23.23 H new TER 2283 HIS A 134