USER MOD reduce.3.24.130724 H: found=0, std=0, add=1220, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1220 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 NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 202 CACA :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 202 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 203 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 203 CACA :(metal ligand) USER MOD Set 1.1: B 11 LYS NZ :NH3+ 162:sc= 2.46 (180deg=0.951) USER MOD Set 1.2: B 15 GLN : amide:sc= 0.35 K(o=2.8,f=-6.7!) USER MOD Set 2.1: A 107 HIS : no HD1:sc= 0.308 K(o=0.18,f=-2.1!) USER MOD Set 2.2: A 111 ASN : amide:sc= -0.126 K(o=0.18,f=-1.4!) USER MOD Set 3.1: A 81 SER OG : rot -42:sc= 2.23 USER MOD Set 3.2: A 146 THR OG1 : rot -89:sc= 1.14 USER MOD Set 4.1: A 75 LYS NZ :NH3+ -158:sc= -0.569! (180deg=-2.57!) USER MOD Set 4.2: B 8 THR OG1 : rot 161:sc= 0.46 USER MOD Set 5.1: A 36 MET CE :methyl -156:sc= -0.241 (180deg=-0.97) USER MOD Set 5.2: A 51 MET CE :methyl -166:sc= 0 (180deg=0) USER MOD Set 6.1: A 29 THR OG1 : rot 180:sc= 0.035 USER MOD Set 6.2: A 49 GLN : amide:sc= 0.926 K(o=0.96,f=-1.4) USER MOD Set 7.1: A 5 THR OG1 : rot 149:sc= 1.04 USER MOD Set 7.2: A 8 GLN : amide:sc= 1.91 K(o=2.9,f=-1.3) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 73:sc= 1.02 USER MOD Single : A 21 LYS NZ :NH3+ 150:sc= 1.26 (180deg=1.24) USER MOD Single : A 26 THR OG1 : rot 97:sc= 1.28 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.309 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 89:sc= 1.34 USER MOD Single : A 38 SER OG : rot -169:sc= 0.844 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -79:sc= 1.19 USER MOD Single : A 53 ASN : amide:sc= 0.326 X(o=0.33,f=0) USER MOD Single : A 62 THR OG1 : rot -0:sc= 0.509 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00703 USER MOD Single : A 71 MET CE :methyl 143:sc= -0.488 (180deg=-3.25!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -142:sc= 0 (180deg=-1.23) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -154:sc= -0.14 (180deg=-0.685) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc=-0.00695 USER MOD Single : A 109 MET CE :methyl 142:sc= -0.124 (180deg=-0.583) USER MOD Single : A 110 THR OG1 : rot 77:sc= 1.14 USER MOD Single : A 115 LYS NZ :NH3+ 148:sc= 2.19 (180deg=-0.602) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0342 USER MOD Single : A 124 MET CE :methyl 170:sc= -2.31 (180deg=-2.86) USER MOD Single : A 135 GLN : amide:sc= 1.11 K(o=1.1,f=-0.053) USER MOD Single : A 137 ASN : amide:sc= 1.51 K(o=1.5,f=-5.1!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0.739 USER MOD Single : A 143 GLN : amide:sc= 0.142 K(o=0.14,f=-1.1) USER MOD Single : A 144 MET CE :methyl -159:sc= -2.83 (180deg=-5.78!) USER MOD Single : A 145 MET CE :methyl -164:sc= 0 (180deg=-0.0322) USER MOD Single : B 1 MET CE :methyl 170:sc= -1.56! (180deg=-1.59!) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0.911 (180deg=0.911) USER MOD Single : B 3 CYS SG : rot -49:sc= -3.78! USER MOD Single : B 5 CYS SG : rot -60:sc= -6.15! USER MOD Single : B 9 THR OG1 : rot 76:sc= 1.2 USER MOD Single : B 10 LYS NZ :NH3+ -138:sc= 0.348 (180deg=-2.99!) USER MOD Single : B 12 TYR OH : rot -142:sc= 0.543 USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 4 -1.698 18.208 3.854 1.00 1.45 N ATOM 2 CA LEU A 4 -0.852 17.226 3.145 1.00 1.33 C ATOM 3 C LEU A 4 0.069 17.923 2.152 1.00 1.19 C ATOM 4 O LEU A 4 -0.162 19.076 1.785 1.00 1.15 O ATOM 5 CB LEU A 4 -1.735 16.220 2.406 1.00 1.31 C ATOM 6 CG LEU A 4 -1.007 15.011 1.816 1.00 1.33 C ATOM 7 CD1 LEU A 4 -0.705 13.987 2.894 1.00 1.71 C ATOM 8 CD2 LEU A 4 -1.839 14.391 0.708 1.00 1.33 C ATOM 0 HA LEU A 4 -0.240 16.705 3.881 1.00 1.33 H new ATOM 0 HB2 LEU A 4 -2.500 15.861 3.094 1.00 1.31 H new ATOM 0 HB3 LEU A 4 -2.251 16.740 1.599 1.00 1.31 H new ATOM 0 HG LEU A 4 -0.059 15.348 1.395 1.00 1.33 H new ATOM 0 HD11 LEU A 4 -0.187 13.136 2.452 1.00 1.71 H new ATOM 0 HD12 LEU A 4 -0.073 14.439 3.659 1.00 1.71 H new ATOM 0 HD13 LEU A 4 -1.637 13.650 3.347 1.00 1.71 H new ATOM 0 HD21 LEU A 4 -1.312 13.531 0.295 1.00 1.33 H new ATOM 0 HD22 LEU A 4 -2.799 14.069 1.111 1.00 1.33 H new ATOM 0 HD23 LEU A 4 -2.004 15.127 -0.078 1.00 1.33 H new ATOM 20 N THR A 5 1.109 17.216 1.730 1.00 1.17 N ATOM 21 CA THR A 5 2.058 17.735 0.763 1.00 1.07 C ATOM 22 C THR A 5 1.406 17.837 -0.611 1.00 0.97 C ATOM 23 O THR A 5 0.607 16.978 -0.992 1.00 0.96 O ATOM 24 CB THR A 5 3.290 16.818 0.673 1.00 1.11 C ATOM 25 OG1 THR A 5 2.912 15.473 1.000 1.00 1.25 O ATOM 26 CG2 THR A 5 4.389 17.279 1.619 1.00 1.21 C ATOM 0 H THR A 5 1.315 16.269 2.049 1.00 1.17 H new ATOM 0 HA THR A 5 2.372 18.726 1.091 1.00 1.07 H new ATOM 0 HB THR A 5 3.674 16.861 -0.346 1.00 1.11 H new ATOM 0 HG1 THR A 5 3.480 14.845 0.507 1.00 1.25 H new ATOM 0 HG21 THR A 5 5.247 16.612 1.533 1.00 1.21 H new ATOM 0 HG22 THR A 5 4.691 18.293 1.359 1.00 1.21 H new ATOM 0 HG23 THR A 5 4.018 17.263 2.644 1.00 1.21 H new ATOM 34 N GLU A 6 1.738 18.890 -1.338 1.00 0.93 N ATOM 35 CA GLU A 6 1.189 19.109 -2.672 1.00 0.88 C ATOM 36 C GLU A 6 1.556 17.972 -3.615 1.00 0.84 C ATOM 37 O GLU A 6 0.757 17.576 -4.463 1.00 0.82 O ATOM 38 CB GLU A 6 1.687 20.432 -3.253 1.00 0.92 C ATOM 39 CG GLU A 6 1.404 21.635 -2.374 1.00 1.07 C ATOM 40 CD GLU A 6 2.527 21.911 -1.399 1.00 1.44 C ATOM 41 OE1 GLU A 6 3.467 22.640 -1.770 1.00 1.91 O ATOM 42 OE2 GLU A 6 2.482 21.386 -0.269 1.00 1.97 O ATOM 0 H GLU A 6 2.388 19.612 -1.028 1.00 0.93 H new ATOM 0 HA GLU A 6 0.104 19.145 -2.574 1.00 0.88 H new ATOM 0 HB2 GLU A 6 2.762 20.362 -3.421 1.00 0.92 H new ATOM 0 HB3 GLU A 6 1.222 20.588 -4.226 1.00 0.92 H new ATOM 0 HG2 GLU A 6 1.247 22.512 -3.002 1.00 1.07 H new ATOM 0 HG3 GLU A 6 0.479 21.469 -1.822 1.00 1.07 H new ATOM 49 N GLU A 7 2.775 17.463 -3.469 1.00 0.86 N ATOM 50 CA GLU A 7 3.262 16.369 -4.306 1.00 0.85 C ATOM 51 C GLU A 7 2.333 15.170 -4.195 1.00 0.84 C ATOM 52 O GLU A 7 1.873 14.626 -5.198 1.00 0.82 O ATOM 53 CB GLU A 7 4.680 15.962 -3.891 1.00 0.90 C ATOM 54 CG GLU A 7 5.647 17.129 -3.745 1.00 1.18 C ATOM 55 CD GLU A 7 5.708 17.681 -2.338 1.00 1.58 C ATOM 56 OE1 GLU A 7 4.795 18.441 -1.953 1.00 1.76 O ATOM 57 OE2 GLU A 7 6.677 17.381 -1.620 1.00 1.98 O ATOM 0 H GLU A 7 3.447 17.792 -2.776 1.00 0.86 H new ATOM 0 HA GLU A 7 3.283 16.713 -5.340 1.00 0.85 H new ATOM 0 HB2 GLU A 7 4.629 15.426 -2.943 1.00 0.90 H new ATOM 0 HB3 GLU A 7 5.077 15.266 -4.630 1.00 0.90 H new ATOM 0 HG2 GLU A 7 6.644 16.806 -4.045 1.00 1.18 H new ATOM 0 HG3 GLU A 7 5.351 17.925 -4.428 1.00 1.18 H new ATOM 64 N GLN A 8 2.045 14.782 -2.960 1.00 0.87 N ATOM 65 CA GLN A 8 1.161 13.658 -2.699 1.00 0.89 C ATOM 66 C GLN A 8 -0.239 13.950 -3.233 1.00 0.83 C ATOM 67 O GLN A 8 -0.836 13.102 -3.899 1.00 0.81 O ATOM 68 CB GLN A 8 1.136 13.336 -1.206 1.00 0.99 C ATOM 69 CG GLN A 8 2.153 12.280 -0.801 1.00 1.24 C ATOM 70 CD GLN A 8 3.587 12.706 -1.063 1.00 1.43 C ATOM 71 OE1 GLN A 8 4.237 13.292 -0.199 1.00 1.54 O ATOM 72 NE2 GLN A 8 4.089 12.421 -2.256 1.00 1.62 N ATOM 0 H GLN A 8 2.413 15.232 -2.122 1.00 0.87 H new ATOM 0 HA GLN A 8 1.540 12.780 -3.221 1.00 0.89 H new ATOM 0 HB2 GLN A 8 1.326 14.249 -0.641 1.00 0.99 H new ATOM 0 HB3 GLN A 8 0.138 12.993 -0.932 1.00 0.99 H new ATOM 0 HG2 GLN A 8 2.034 12.057 0.259 1.00 1.24 H new ATOM 0 HG3 GLN A 8 1.948 11.358 -1.346 1.00 1.24 H new ATOM 0 HE21 GLN A 8 3.518 11.933 -2.946 1.00 1.62 H new ATOM 0 HE22 GLN A 8 5.046 12.689 -2.484 1.00 1.62 H new ATOM 81 N ILE A 9 -0.766 15.138 -2.917 1.00 0.84 N ATOM 82 CA ILE A 9 -2.080 15.562 -3.409 1.00 0.83 C ATOM 83 C ILE A 9 -2.168 15.367 -4.922 1.00 0.77 C ATOM 84 O ILE A 9 -3.158 14.843 -5.437 1.00 0.78 O ATOM 85 CB ILE A 9 -2.357 17.054 -3.087 1.00 0.87 C ATOM 86 CG1 ILE A 9 -2.492 17.271 -1.578 1.00 0.92 C ATOM 87 CG2 ILE A 9 -3.610 17.547 -3.804 1.00 0.92 C ATOM 88 CD1 ILE A 9 -3.779 16.726 -0.991 1.00 1.13 C ATOM 0 H ILE A 9 -0.301 15.823 -2.322 1.00 0.84 H new ATOM 0 HA ILE A 9 -2.825 14.947 -2.905 1.00 0.83 H new ATOM 0 HB ILE A 9 -1.506 17.632 -3.446 1.00 0.87 H new ATOM 0 HG12 ILE A 9 -1.647 16.799 -1.076 1.00 0.92 H new ATOM 0 HG13 ILE A 9 -2.432 18.339 -1.368 1.00 0.92 H new ATOM 0 HG21 ILE A 9 -3.780 18.596 -3.560 1.00 0.92 H new ATOM 0 HG22 ILE A 9 -3.478 17.442 -4.881 1.00 0.92 H new ATOM 0 HG23 ILE A 9 -4.468 16.956 -3.484 1.00 0.92 H new ATOM 0 HD11 ILE A 9 -3.800 16.919 0.082 1.00 1.13 H new ATOM 0 HD12 ILE A 9 -4.630 17.215 -1.464 1.00 1.13 H new ATOM 0 HD13 ILE A 9 -3.833 15.652 -1.168 1.00 1.13 H new ATOM 100 N ALA A 10 -1.111 15.771 -5.617 1.00 0.74 N ATOM 101 CA ALA A 10 -1.048 15.645 -7.065 1.00 0.71 C ATOM 102 C ALA A 10 -1.116 14.179 -7.486 1.00 0.68 C ATOM 103 O ALA A 10 -1.806 13.832 -8.447 1.00 0.70 O ATOM 104 CB ALA A 10 0.214 16.306 -7.598 1.00 0.74 C ATOM 0 H ALA A 10 -0.282 16.191 -5.196 1.00 0.74 H new ATOM 0 HA ALA A 10 -1.910 16.155 -7.494 1.00 0.71 H new ATOM 0 HB1 ALA A 10 0.248 16.204 -8.683 1.00 0.74 H new ATOM 0 HB2 ALA A 10 0.211 17.363 -7.333 1.00 0.74 H new ATOM 0 HB3 ALA A 10 1.089 15.825 -7.161 1.00 0.74 H new ATOM 110 N GLU A 11 -0.419 13.318 -6.752 1.00 0.68 N ATOM 111 CA GLU A 11 -0.423 11.887 -7.049 1.00 0.69 C ATOM 112 C GLU A 11 -1.810 11.292 -6.812 1.00 0.65 C ATOM 113 O GLU A 11 -2.298 10.497 -7.617 1.00 0.62 O ATOM 114 CB GLU A 11 0.619 11.154 -6.204 1.00 0.75 C ATOM 115 CG GLU A 11 2.027 11.682 -6.400 1.00 0.96 C ATOM 116 CD GLU A 11 3.062 10.936 -5.585 1.00 1.07 C ATOM 117 OE1 GLU A 11 2.992 10.972 -4.337 1.00 1.21 O ATOM 118 OE2 GLU A 11 3.947 10.293 -6.191 1.00 1.57 O ATOM 0 H GLU A 11 0.154 13.583 -5.951 1.00 0.68 H new ATOM 0 HA GLU A 11 -0.165 11.760 -8.100 1.00 0.69 H new ATOM 0 HB2 GLU A 11 0.349 11.240 -5.151 1.00 0.75 H new ATOM 0 HB3 GLU A 11 0.598 10.093 -6.453 1.00 0.75 H new ATOM 0 HG2 GLU A 11 2.289 11.616 -7.456 1.00 0.96 H new ATOM 0 HG3 GLU A 11 2.053 12.738 -6.130 1.00 0.96 H new ATOM 125 N PHE A 12 -2.452 11.669 -5.705 1.00 0.67 N ATOM 126 CA PHE A 12 -3.793 11.185 -5.403 1.00 0.67 C ATOM 127 C PHE A 12 -4.771 11.592 -6.503 1.00 0.66 C ATOM 128 O PHE A 12 -5.766 10.907 -6.748 1.00 0.64 O ATOM 129 CB PHE A 12 -4.252 11.689 -4.028 1.00 0.73 C ATOM 130 CG PHE A 12 -3.595 10.960 -2.885 1.00 1.01 C ATOM 131 CD1 PHE A 12 -3.814 9.605 -2.690 1.00 1.39 C ATOM 132 CD2 PHE A 12 -2.752 11.626 -2.012 1.00 1.29 C ATOM 133 CE1 PHE A 12 -3.205 8.932 -1.650 1.00 1.80 C ATOM 134 CE2 PHE A 12 -2.143 10.957 -0.968 1.00 1.66 C ATOM 135 CZ PHE A 12 -2.369 9.611 -0.786 1.00 1.85 C ATOM 0 H PHE A 12 -2.064 12.305 -5.008 1.00 0.67 H new ATOM 0 HA PHE A 12 -3.770 10.096 -5.366 1.00 0.67 H new ATOM 0 HB2 PHE A 12 -4.034 12.754 -3.946 1.00 0.73 H new ATOM 0 HB3 PHE A 12 -5.333 11.578 -3.949 1.00 0.73 H new ATOM 0 HD1 PHE A 12 -4.470 9.069 -3.360 1.00 1.39 H new ATOM 0 HD2 PHE A 12 -2.568 12.681 -2.149 1.00 1.29 H new ATOM 0 HE1 PHE A 12 -3.382 7.876 -1.512 1.00 1.80 H new ATOM 0 HE2 PHE A 12 -1.489 11.490 -0.294 1.00 1.66 H new ATOM 0 HZ PHE A 12 -1.894 9.088 0.030 1.00 1.85 H new ATOM 145 N LYS A 13 -4.505 12.731 -7.136 1.00 0.67 N ATOM 146 CA LYS A 13 -5.322 13.195 -8.250 1.00 0.69 C ATOM 147 C LYS A 13 -5.330 12.130 -9.347 1.00 0.64 C ATOM 148 O LYS A 13 -6.360 11.866 -9.974 1.00 0.64 O ATOM 149 CB LYS A 13 -4.782 14.523 -8.785 1.00 0.75 C ATOM 150 CG LYS A 13 -5.303 14.893 -10.164 1.00 0.91 C ATOM 151 CD LYS A 13 -4.349 15.824 -10.892 1.00 1.14 C ATOM 152 CE LYS A 13 -3.045 15.134 -11.250 1.00 1.25 C ATOM 153 NZ LYS A 13 -2.112 16.042 -11.962 1.00 1.50 N ATOM 0 H LYS A 13 -3.730 13.349 -6.896 1.00 0.67 H new ATOM 0 HA LYS A 13 -6.344 13.360 -7.909 1.00 0.69 H new ATOM 0 HB2 LYS A 13 -5.042 15.317 -8.085 1.00 0.75 H new ATOM 0 HB3 LYS A 13 -3.694 14.473 -8.821 1.00 0.75 H new ATOM 0 HG2 LYS A 13 -5.449 13.988 -10.753 1.00 0.91 H new ATOM 0 HG3 LYS A 13 -6.278 15.372 -10.069 1.00 0.91 H new ATOM 0 HD2 LYS A 13 -4.825 16.193 -11.800 1.00 1.14 H new ATOM 0 HD3 LYS A 13 -4.140 16.692 -10.266 1.00 1.14 H new ATOM 0 HE2 LYS A 13 -2.569 14.765 -10.342 1.00 1.25 H new ATOM 0 HE3 LYS A 13 -3.254 14.266 -11.875 1.00 1.25 H new ATOM 0 HZ1 LYS A 13 -1.235 15.531 -12.188 1.00 1.50 H new ATOM 0 HZ2 LYS A 13 -2.555 16.375 -12.842 1.00 1.50 H new ATOM 0 HZ3 LYS A 13 -1.891 16.858 -11.356 1.00 1.50 H new ATOM 167 N GLU A 14 -4.169 11.502 -9.545 1.00 0.61 N ATOM 168 CA GLU A 14 -4.019 10.435 -10.525 1.00 0.59 C ATOM 169 C GLU A 14 -4.790 9.211 -10.054 1.00 0.53 C ATOM 170 O GLU A 14 -5.412 8.509 -10.853 1.00 0.53 O ATOM 171 CB GLU A 14 -2.543 10.080 -10.716 1.00 0.63 C ATOM 172 CG GLU A 14 -1.686 11.261 -11.125 1.00 0.98 C ATOM 173 CD GLU A 14 -0.208 10.975 -10.984 1.00 1.04 C ATOM 174 OE1 GLU A 14 0.311 10.124 -11.732 1.00 1.45 O ATOM 175 OE2 GLU A 14 0.443 11.603 -10.127 1.00 1.64 O ATOM 0 H GLU A 14 -3.315 11.720 -9.032 1.00 0.61 H new ATOM 0 HA GLU A 14 -4.415 10.774 -11.482 1.00 0.59 H new ATOM 0 HB2 GLU A 14 -2.154 9.664 -9.787 1.00 0.63 H new ATOM 0 HB3 GLU A 14 -2.460 9.301 -11.474 1.00 0.63 H new ATOM 0 HG2 GLU A 14 -1.905 11.525 -12.160 1.00 0.98 H new ATOM 0 HG3 GLU A 14 -1.946 12.125 -10.513 1.00 0.98 H new ATOM 182 N ALA A 15 -4.737 8.965 -8.746 1.00 0.51 N ATOM 183 CA ALA A 15 -5.451 7.850 -8.144 1.00 0.47 C ATOM 184 C ALA A 15 -6.951 8.001 -8.403 1.00 0.45 C ATOM 185 O ALA A 15 -7.623 7.042 -8.782 1.00 0.44 O ATOM 186 CB ALA A 15 -5.148 7.769 -6.653 1.00 0.48 C ATOM 0 H ALA A 15 -4.203 9.528 -8.084 1.00 0.51 H new ATOM 0 HA ALA A 15 -5.117 6.917 -8.598 1.00 0.47 H new ATOM 0 HB1 ALA A 15 -5.690 6.930 -6.217 1.00 0.48 H new ATOM 0 HB2 ALA A 15 -4.077 7.626 -6.507 1.00 0.48 H new ATOM 0 HB3 ALA A 15 -5.460 8.694 -6.168 1.00 0.48 H new ATOM 192 N PHE A 16 -7.471 9.202 -8.162 1.00 0.46 N ATOM 193 CA PHE A 16 -8.884 9.498 -8.421 1.00 0.47 C ATOM 194 C PHE A 16 -9.221 9.230 -9.887 1.00 0.48 C ATOM 195 O PHE A 16 -10.251 8.636 -10.196 1.00 0.49 O ATOM 196 CB PHE A 16 -9.218 10.958 -8.102 1.00 0.54 C ATOM 197 CG PHE A 16 -9.705 11.191 -6.696 1.00 0.49 C ATOM 198 CD1 PHE A 16 -11.035 10.987 -6.364 1.00 0.78 C ATOM 199 CD2 PHE A 16 -8.840 11.631 -5.714 1.00 0.91 C ATOM 200 CE1 PHE A 16 -11.488 11.215 -5.077 1.00 1.11 C ATOM 201 CE2 PHE A 16 -9.282 11.862 -4.425 1.00 1.22 C ATOM 202 CZ PHE A 16 -10.611 11.653 -4.105 1.00 1.23 C ATOM 0 H PHE A 16 -6.939 9.988 -7.788 1.00 0.46 H new ATOM 0 HA PHE A 16 -9.475 8.849 -7.774 1.00 0.47 H new ATOM 0 HB2 PHE A 16 -8.330 11.567 -8.272 1.00 0.54 H new ATOM 0 HB3 PHE A 16 -9.980 11.305 -8.800 1.00 0.54 H new ATOM 0 HD1 PHE A 16 -11.727 10.646 -7.120 1.00 0.78 H new ATOM 0 HD2 PHE A 16 -7.801 11.797 -5.957 1.00 0.91 H new ATOM 0 HE1 PHE A 16 -12.527 11.050 -4.833 1.00 1.11 H new ATOM 0 HE2 PHE A 16 -8.591 12.205 -3.669 1.00 1.22 H new ATOM 0 HZ PHE A 16 -10.961 11.832 -3.099 1.00 1.23 H new ATOM 212 N SER A 17 -8.329 9.649 -10.784 1.00 0.52 N ATOM 213 CA SER A 17 -8.533 9.457 -12.215 1.00 0.56 C ATOM 214 C SER A 17 -8.505 7.965 -12.559 1.00 0.49 C ATOM 215 O SER A 17 -8.913 7.550 -13.646 1.00 0.55 O ATOM 216 CB SER A 17 -7.450 10.205 -13.005 1.00 0.64 C ATOM 217 OG SER A 17 -7.340 11.557 -12.581 1.00 0.77 O ATOM 0 H SER A 17 -7.459 10.123 -10.543 1.00 0.52 H new ATOM 0 HA SER A 17 -9.509 9.858 -12.489 1.00 0.56 H new ATOM 0 HB2 SER A 17 -6.491 9.703 -12.876 1.00 0.64 H new ATOM 0 HB3 SER A 17 -7.686 10.174 -14.069 1.00 0.64 H new ATOM 0 HG SER A 17 -6.906 11.590 -11.703 1.00 0.77 H new ATOM 223 N LEU A 18 -8.021 7.168 -11.613 1.00 0.42 N ATOM 224 CA LEU A 18 -7.926 5.734 -11.779 1.00 0.38 C ATOM 225 C LEU A 18 -9.157 5.040 -11.207 1.00 0.36 C ATOM 226 O LEU A 18 -9.807 4.266 -11.910 1.00 0.38 O ATOM 227 CB LEU A 18 -6.667 5.208 -11.094 1.00 0.42 C ATOM 228 CG LEU A 18 -6.557 3.684 -11.018 1.00 0.87 C ATOM 229 CD1 LEU A 18 -6.180 3.098 -12.375 1.00 1.43 C ATOM 230 CD2 LEU A 18 -5.553 3.285 -9.956 1.00 1.02 C ATOM 0 H LEU A 18 -7.685 7.505 -10.711 1.00 0.42 H new ATOM 0 HA LEU A 18 -7.871 5.516 -12.846 1.00 0.38 H new ATOM 0 HB2 LEU A 18 -5.796 5.593 -11.624 1.00 0.42 H new ATOM 0 HB3 LEU A 18 -6.628 5.610 -10.082 1.00 0.42 H new ATOM 0 HG LEU A 18 -7.530 3.279 -10.741 1.00 0.87 H new ATOM 0 HD11 LEU A 18 -6.108 2.013 -12.296 1.00 1.43 H new ATOM 0 HD12 LEU A 18 -6.943 3.358 -13.108 1.00 1.43 H new ATOM 0 HD13 LEU A 18 -5.219 3.503 -12.692 1.00 1.43 H new ATOM 0 HD21 LEU A 18 -5.483 2.198 -9.911 1.00 1.02 H new ATOM 0 HD22 LEU A 18 -4.577 3.701 -10.204 1.00 1.02 H new ATOM 0 HD23 LEU A 18 -5.876 3.668 -8.988 1.00 1.02 H new ATOM 242 N PHE A 19 -9.483 5.313 -9.939 1.00 0.35 N ATOM 243 CA PHE A 19 -10.643 4.693 -9.292 1.00 0.35 C ATOM 244 C PHE A 19 -11.939 5.112 -9.969 1.00 0.35 C ATOM 245 O PHE A 19 -12.834 4.295 -10.181 1.00 0.37 O ATOM 246 CB PHE A 19 -10.709 5.075 -7.804 1.00 0.35 C ATOM 247 CG PHE A 19 -9.664 4.416 -6.949 1.00 0.36 C ATOM 248 CD1 PHE A 19 -9.537 3.037 -6.923 1.00 0.41 C ATOM 249 CD2 PHE A 19 -8.801 5.179 -6.187 1.00 0.41 C ATOM 250 CE1 PHE A 19 -8.572 2.430 -6.142 1.00 0.50 C ATOM 251 CE2 PHE A 19 -7.833 4.583 -5.406 1.00 0.51 C ATOM 252 CZ PHE A 19 -7.709 3.203 -5.388 1.00 0.56 C ATOM 0 H PHE A 19 -8.962 5.956 -9.343 1.00 0.35 H new ATOM 0 HA PHE A 19 -10.525 3.613 -9.385 1.00 0.35 H new ATOM 0 HB2 PHE A 19 -10.606 6.156 -7.714 1.00 0.35 H new ATOM 0 HB3 PHE A 19 -11.695 4.815 -7.418 1.00 0.35 H new ATOM 0 HD1 PHE A 19 -10.200 2.429 -7.520 1.00 0.41 H new ATOM 0 HD2 PHE A 19 -8.885 6.256 -6.203 1.00 0.41 H new ATOM 0 HE1 PHE A 19 -8.492 1.353 -6.121 1.00 0.50 H new ATOM 0 HE2 PHE A 19 -7.171 5.192 -4.808 1.00 0.51 H new ATOM 0 HZ PHE A 19 -6.943 2.734 -4.788 1.00 0.56 H new ATOM 262 N ASP A 20 -12.027 6.385 -10.311 1.00 0.36 N ATOM 263 CA ASP A 20 -13.219 6.914 -10.946 1.00 0.38 C ATOM 264 C ASP A 20 -13.231 6.584 -12.433 1.00 0.44 C ATOM 265 O ASP A 20 -12.227 6.754 -13.120 1.00 0.50 O ATOM 266 CB ASP A 20 -13.309 8.424 -10.741 1.00 0.40 C ATOM 267 CG ASP A 20 -14.668 8.963 -11.103 1.00 0.43 C ATOM 268 OD1 ASP A 20 -14.937 9.139 -12.304 1.00 0.54 O ATOM 269 OD2 ASP A 20 -15.489 9.189 -10.184 1.00 0.42 O ATOM 0 H ASP A 20 -11.287 7.071 -10.159 1.00 0.36 H new ATOM 0 HA ASP A 20 -14.087 6.445 -10.482 1.00 0.38 H new ATOM 0 HB2 ASP A 20 -13.090 8.662 -9.700 1.00 0.40 H new ATOM 0 HB3 ASP A 20 -12.550 8.918 -11.347 1.00 0.40 H new ATOM 274 N LYS A 21 -14.369 6.103 -12.922 1.00 0.45 N ATOM 275 CA LYS A 21 -14.515 5.734 -14.324 1.00 0.52 C ATOM 276 C LYS A 21 -15.767 6.365 -14.933 1.00 0.55 C ATOM 277 O LYS A 21 -16.250 5.909 -15.972 1.00 0.72 O ATOM 278 CB LYS A 21 -14.591 4.204 -14.466 1.00 0.53 C ATOM 279 CG LYS A 21 -13.281 3.480 -14.181 1.00 0.58 C ATOM 280 CD LYS A 21 -12.311 3.583 -15.350 1.00 0.71 C ATOM 281 CE LYS A 21 -10.892 3.842 -14.871 1.00 0.73 C ATOM 282 NZ LYS A 21 -10.663 5.284 -14.577 1.00 0.62 N ATOM 0 H LYS A 21 -15.209 5.959 -12.362 1.00 0.45 H new ATOM 0 HA LYS A 21 -13.642 6.107 -14.860 1.00 0.52 H new ATOM 0 HB2 LYS A 21 -15.356 3.826 -13.788 1.00 0.53 H new ATOM 0 HB3 LYS A 21 -14.914 3.961 -15.478 1.00 0.53 H new ATOM 0 HG2 LYS A 21 -12.820 3.902 -13.288 1.00 0.58 H new ATOM 0 HG3 LYS A 21 -13.485 2.430 -13.969 1.00 0.58 H new ATOM 0 HD2 LYS A 21 -12.338 2.661 -15.930 1.00 0.71 H new ATOM 0 HD3 LYS A 21 -12.625 4.387 -16.015 1.00 0.71 H new ATOM 0 HE2 LYS A 21 -10.697 3.253 -13.975 1.00 0.73 H new ATOM 0 HE3 LYS A 21 -10.185 3.509 -15.631 1.00 0.73 H new ATOM 0 HZ1 LYS A 21 -9.952 5.376 -13.824 1.00 0.62 H new ATOM 0 HZ2 LYS A 21 -10.323 5.764 -15.435 1.00 0.62 H new ATOM 0 HZ3 LYS A 21 -11.554 5.721 -14.266 1.00 0.62 H new ATOM 296 N ASP A 22 -16.295 7.408 -14.301 1.00 0.49 N ATOM 297 CA ASP A 22 -17.503 8.065 -14.812 1.00 0.52 C ATOM 298 C ASP A 22 -17.299 9.575 -14.987 1.00 0.53 C ATOM 299 O ASP A 22 -17.998 10.213 -15.779 1.00 0.57 O ATOM 300 CB ASP A 22 -18.718 7.785 -13.910 1.00 0.51 C ATOM 301 CG ASP A 22 -18.470 8.040 -12.433 1.00 0.47 C ATOM 302 OD1 ASP A 22 -17.770 9.000 -12.082 1.00 0.47 O ATOM 303 OD2 ASP A 22 -18.981 7.275 -11.593 1.00 0.47 O ATOM 0 H ASP A 22 -15.916 7.815 -13.446 1.00 0.49 H new ATOM 0 HA ASP A 22 -17.703 7.640 -15.795 1.00 0.52 H new ATOM 0 HB2 ASP A 22 -19.551 8.406 -14.239 1.00 0.51 H new ATOM 0 HB3 ASP A 22 -19.022 6.747 -14.042 1.00 0.51 H new ATOM 308 N GLY A 23 -16.354 10.142 -14.248 1.00 0.52 N ATOM 309 CA GLY A 23 -16.074 11.563 -14.354 1.00 0.55 C ATOM 310 C GLY A 23 -16.747 12.386 -13.273 1.00 0.54 C ATOM 311 O GLY A 23 -16.662 13.619 -13.275 1.00 0.59 O ATOM 0 H GLY A 23 -15.774 9.642 -13.574 1.00 0.52 H new ATOM 0 HA2 GLY A 23 -14.996 11.719 -14.303 1.00 0.55 H new ATOM 0 HA3 GLY A 23 -16.402 11.920 -15.330 1.00 0.55 H new ATOM 315 N ASP A 24 -17.417 11.715 -12.348 1.00 0.50 N ATOM 316 CA ASP A 24 -18.111 12.403 -11.263 1.00 0.51 C ATOM 317 C ASP A 24 -17.132 12.796 -10.151 1.00 0.51 C ATOM 318 O ASP A 24 -17.241 13.880 -9.574 1.00 0.58 O ATOM 319 CB ASP A 24 -19.269 11.535 -10.731 1.00 0.50 C ATOM 320 CG ASP A 24 -18.974 10.868 -9.406 1.00 0.47 C ATOM 321 OD1 ASP A 24 -19.159 11.510 -8.357 1.00 0.57 O ATOM 322 OD2 ASP A 24 -18.565 9.686 -9.409 1.00 0.44 O ATOM 0 H ASP A 24 -17.496 10.698 -12.324 1.00 0.50 H new ATOM 0 HA ASP A 24 -18.542 13.326 -11.652 1.00 0.51 H new ATOM 0 HB2 ASP A 24 -20.157 12.157 -10.624 1.00 0.50 H new ATOM 0 HB3 ASP A 24 -19.504 10.768 -11.469 1.00 0.50 H new ATOM 327 N GLY A 25 -16.167 11.926 -9.858 1.00 0.47 N ATOM 328 CA GLY A 25 -15.180 12.230 -8.835 1.00 0.50 C ATOM 329 C GLY A 25 -15.347 11.409 -7.567 1.00 0.50 C ATOM 330 O GLY A 25 -14.393 11.231 -6.810 1.00 0.74 O ATOM 0 H GLY A 25 -16.051 11.019 -10.310 1.00 0.47 H new ATOM 0 HA2 GLY A 25 -14.183 12.058 -9.241 1.00 0.50 H new ATOM 0 HA3 GLY A 25 -15.243 13.289 -8.584 1.00 0.50 H new ATOM 334 N THR A 26 -16.552 10.918 -7.324 1.00 0.41 N ATOM 335 CA THR A 26 -16.822 10.120 -6.139 1.00 0.39 C ATOM 336 C THR A 26 -16.574 8.640 -6.417 1.00 0.34 C ATOM 337 O THR A 26 -16.916 8.125 -7.493 1.00 0.37 O ATOM 338 CB THR A 26 -18.272 10.324 -5.659 1.00 0.42 C ATOM 339 OG1 THR A 26 -18.642 11.691 -5.847 1.00 0.47 O ATOM 340 CG2 THR A 26 -18.434 9.956 -4.190 1.00 0.46 C ATOM 0 H THR A 26 -17.359 11.058 -7.932 1.00 0.41 H new ATOM 0 HA THR A 26 -16.143 10.451 -5.353 1.00 0.39 H new ATOM 0 HB THR A 26 -18.918 9.670 -6.244 1.00 0.42 H new ATOM 0 HG1 THR A 26 -19.135 11.784 -6.689 1.00 0.47 H new ATOM 0 HG21 THR A 26 -19.469 10.113 -3.888 1.00 0.46 H new ATOM 0 HG22 THR A 26 -18.169 8.909 -4.046 1.00 0.46 H new ATOM 0 HG23 THR A 26 -17.780 10.583 -3.584 1.00 0.46 H new ATOM 348 N ILE A 27 -15.961 7.975 -5.450 1.00 0.33 N ATOM 349 CA ILE A 27 -15.651 6.556 -5.547 1.00 0.31 C ATOM 350 C ILE A 27 -16.900 5.707 -5.311 1.00 0.32 C ATOM 351 O ILE A 27 -17.568 5.850 -4.285 1.00 0.41 O ATOM 352 CB ILE A 27 -14.578 6.154 -4.501 1.00 0.33 C ATOM 353 CG1 ILE A 27 -13.165 6.438 -5.008 1.00 0.34 C ATOM 354 CG2 ILE A 27 -14.712 4.684 -4.123 1.00 0.37 C ATOM 355 CD1 ILE A 27 -12.411 7.422 -4.147 1.00 0.37 C ATOM 0 H ILE A 27 -15.664 8.404 -4.574 1.00 0.33 H new ATOM 0 HA ILE A 27 -15.271 6.376 -6.553 1.00 0.31 H new ATOM 0 HB ILE A 27 -14.748 6.763 -3.613 1.00 0.33 H new ATOM 0 HG12 ILE A 27 -12.607 5.503 -5.053 1.00 0.34 H new ATOM 0 HG13 ILE A 27 -13.222 6.825 -6.026 1.00 0.34 H new ATOM 0 HG21 ILE A 27 -13.949 4.426 -3.389 1.00 0.37 H new ATOM 0 HG22 ILE A 27 -15.700 4.506 -3.698 1.00 0.37 H new ATOM 0 HG23 ILE A 27 -14.583 4.067 -5.012 1.00 0.37 H new ATOM 0 HD11 ILE A 27 -11.415 7.580 -4.562 1.00 0.37 H new ATOM 0 HD12 ILE A 27 -12.948 8.370 -4.122 1.00 0.37 H new ATOM 0 HD13 ILE A 27 -12.324 7.028 -3.135 1.00 0.37 H new ATOM 367 N THR A 28 -17.219 4.838 -6.256 1.00 0.31 N ATOM 368 CA THR A 28 -18.350 3.946 -6.102 1.00 0.33 C ATOM 369 C THR A 28 -17.838 2.517 -5.980 1.00 0.32 C ATOM 370 O THR A 28 -16.627 2.280 -6.029 1.00 0.33 O ATOM 371 CB THR A 28 -19.343 4.050 -7.274 1.00 0.37 C ATOM 372 OG1 THR A 28 -18.747 3.548 -8.476 1.00 0.39 O ATOM 373 CG2 THR A 28 -19.782 5.492 -7.487 1.00 0.41 C ATOM 0 H THR A 28 -16.711 4.733 -7.134 1.00 0.31 H new ATOM 0 HA THR A 28 -18.890 4.238 -5.201 1.00 0.33 H new ATOM 0 HB THR A 28 -20.219 3.450 -7.027 1.00 0.37 H new ATOM 0 HG1 THR A 28 -19.389 3.618 -9.213 1.00 0.39 H new ATOM 0 HG21 THR A 28 -20.483 5.540 -8.320 1.00 0.41 H new ATOM 0 HG22 THR A 28 -20.267 5.862 -6.583 1.00 0.41 H new ATOM 0 HG23 THR A 28 -18.911 6.108 -7.710 1.00 0.41 H new ATOM 381 N THR A 29 -18.741 1.570 -5.855 1.00 0.32 N ATOM 382 CA THR A 29 -18.361 0.178 -5.712 1.00 0.34 C ATOM 383 C THR A 29 -18.160 -0.480 -7.071 1.00 0.34 C ATOM 384 O THR A 29 -17.326 -1.369 -7.227 1.00 0.38 O ATOM 385 CB THR A 29 -19.433 -0.597 -4.932 1.00 0.38 C ATOM 386 OG1 THR A 29 -20.337 0.326 -4.309 1.00 0.57 O ATOM 387 CG2 THR A 29 -18.790 -1.484 -3.881 1.00 0.60 C ATOM 0 H THR A 29 -19.747 1.737 -5.849 1.00 0.32 H new ATOM 0 HA THR A 29 -17.420 0.151 -5.163 1.00 0.34 H new ATOM 0 HB THR A 29 -19.985 -1.230 -5.627 1.00 0.38 H new ATOM 0 HG1 THR A 29 -21.021 -0.170 -3.813 1.00 0.57 H new ATOM 0 HG21 THR A 29 -19.565 -2.025 -3.338 1.00 0.60 H new ATOM 0 HG22 THR A 29 -18.121 -2.196 -4.365 1.00 0.60 H new ATOM 0 HG23 THR A 29 -18.221 -0.869 -3.184 1.00 0.60 H new ATOM 395 N LYS A 30 -18.920 -0.025 -8.060 1.00 0.35 N ATOM 396 CA LYS A 30 -18.838 -0.583 -9.401 1.00 0.39 C ATOM 397 C LYS A 30 -17.574 -0.104 -10.121 1.00 0.36 C ATOM 398 O LYS A 30 -17.134 -0.744 -11.070 1.00 0.37 O ATOM 399 CB LYS A 30 -20.095 -0.229 -10.203 1.00 0.46 C ATOM 400 CG LYS A 30 -20.301 -1.099 -11.438 1.00 0.74 C ATOM 401 CD LYS A 30 -21.416 -0.560 -12.318 1.00 1.11 C ATOM 402 CE LYS A 30 -21.610 -1.408 -13.568 1.00 1.68 C ATOM 403 NZ LYS A 30 -22.767 -0.943 -14.379 1.00 2.22 N ATOM 0 H LYS A 30 -19.599 0.729 -7.957 1.00 0.35 H new ATOM 0 HA LYS A 30 -18.778 -1.668 -9.317 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -20.966 -0.322 -9.555 1.00 0.46 H new ATOM 0 HB3 LYS A 30 -20.036 0.815 -10.511 1.00 0.46 H new ATOM 0 HG2 LYS A 30 -19.375 -1.146 -12.010 1.00 0.74 H new ATOM 0 HG3 LYS A 30 -20.538 -2.118 -11.131 1.00 0.74 H new ATOM 0 HD2 LYS A 30 -22.346 -0.532 -11.750 1.00 1.11 H new ATOM 0 HD3 LYS A 30 -21.188 0.466 -12.607 1.00 1.11 H new ATOM 0 HE2 LYS A 30 -20.705 -1.374 -14.174 1.00 1.68 H new ATOM 0 HE3 LYS A 30 -21.762 -2.448 -13.281 1.00 1.68 H new ATOM 0 HZ1 LYS A 30 -22.865 -1.546 -15.221 1.00 2.22 H new ATOM 0 HZ2 LYS A 30 -23.635 -0.999 -13.809 1.00 2.22 H new ATOM 0 HZ3 LYS A 30 -22.610 0.042 -14.675 1.00 2.22 H new ATOM 417 N GLU A 31 -16.988 0.986 -9.638 1.00 0.37 N ATOM 418 CA GLU A 31 -15.778 1.526 -10.244 1.00 0.37 C ATOM 419 C GLU A 31 -14.546 0.783 -9.724 1.00 0.36 C ATOM 420 O GLU A 31 -13.747 0.282 -10.515 1.00 0.38 O ATOM 421 CB GLU A 31 -15.662 3.024 -9.970 1.00 0.37 C ATOM 422 CG GLU A 31 -16.662 3.862 -10.745 1.00 0.42 C ATOM 423 CD GLU A 31 -16.678 5.314 -10.317 1.00 0.40 C ATOM 424 OE1 GLU A 31 -17.120 5.614 -9.196 1.00 0.39 O ATOM 425 OE2 GLU A 31 -16.280 6.183 -11.109 1.00 0.42 O ATOM 0 H GLU A 31 -17.330 1.510 -8.833 1.00 0.37 H new ATOM 0 HA GLU A 31 -15.837 1.382 -11.323 1.00 0.37 H new ATOM 0 HB2 GLU A 31 -15.801 3.202 -8.904 1.00 0.37 H new ATOM 0 HB3 GLU A 31 -14.653 3.354 -10.220 1.00 0.37 H new ATOM 0 HG2 GLU A 31 -16.428 3.805 -11.808 1.00 0.42 H new ATOM 0 HG3 GLU A 31 -17.659 3.440 -10.615 1.00 0.42 H new ATOM 432 N LEU A 32 -14.403 0.725 -8.400 1.00 0.35 N ATOM 433 CA LEU A 32 -13.259 0.055 -7.774 1.00 0.35 C ATOM 434 C LEU A 32 -13.260 -1.442 -8.088 1.00 0.36 C ATOM 435 O LEU A 32 -12.196 -2.049 -8.217 1.00 0.38 O ATOM 436 CB LEU A 32 -13.253 0.307 -6.257 1.00 0.35 C ATOM 437 CG LEU A 32 -12.578 1.624 -5.817 1.00 0.41 C ATOM 438 CD1 LEU A 32 -13.139 2.806 -6.588 1.00 0.50 C ATOM 439 CD2 LEU A 32 -12.740 1.856 -4.317 1.00 0.44 C ATOM 0 H LEU A 32 -15.064 1.133 -7.739 1.00 0.35 H new ATOM 0 HA LEU A 32 -12.344 0.476 -8.191 1.00 0.35 H new ATOM 0 HB2 LEU A 32 -14.283 0.307 -5.900 1.00 0.35 H new ATOM 0 HB3 LEU A 32 -12.746 -0.525 -5.768 1.00 0.35 H new ATOM 0 HG LEU A 32 -11.515 1.534 -6.038 1.00 0.41 H new ATOM 0 HD11 LEU A 32 -12.647 3.721 -6.259 1.00 0.50 H new ATOM 0 HD12 LEU A 32 -12.963 2.662 -7.654 1.00 0.50 H new ATOM 0 HD13 LEU A 32 -14.211 2.884 -6.405 1.00 0.50 H new ATOM 0 HD21 LEU A 32 -12.254 2.791 -4.039 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -13.800 1.911 -4.070 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -12.282 1.032 -3.770 1.00 0.44 H new ATOM 451 N GLY A 33 -14.456 -2.022 -8.238 1.00 0.39 N ATOM 452 CA GLY A 33 -14.568 -3.439 -8.547 1.00 0.42 C ATOM 453 C GLY A 33 -13.885 -3.808 -9.853 1.00 0.46 C ATOM 454 O GLY A 33 -13.372 -4.917 -10.004 1.00 0.50 O ATOM 0 H GLY A 33 -15.347 -1.533 -8.150 1.00 0.39 H new ATOM 0 HA2 GLY A 33 -14.130 -4.020 -7.735 1.00 0.42 H new ATOM 0 HA3 GLY A 33 -15.622 -3.713 -8.602 1.00 0.42 H new ATOM 458 N THR A 34 -13.871 -2.869 -10.795 1.00 0.46 N ATOM 459 CA THR A 34 -13.239 -3.085 -12.090 1.00 0.52 C ATOM 460 C THR A 34 -11.744 -3.351 -11.930 1.00 0.53 C ATOM 461 O THR A 34 -11.190 -4.236 -12.585 1.00 0.56 O ATOM 462 CB THR A 34 -13.461 -1.873 -13.018 1.00 0.54 C ATOM 463 OG1 THR A 34 -14.650 -1.181 -12.622 1.00 0.58 O ATOM 464 CG2 THR A 34 -13.594 -2.307 -14.472 1.00 0.60 C ATOM 0 H THR A 34 -14.293 -1.947 -10.683 1.00 0.46 H new ATOM 0 HA THR A 34 -13.702 -3.962 -12.542 1.00 0.52 H new ATOM 0 HB THR A 34 -12.595 -1.216 -12.933 1.00 0.54 H new ATOM 0 HG1 THR A 34 -14.426 -0.504 -11.950 1.00 0.58 H new ATOM 0 HG21 THR A 34 -13.750 -1.430 -15.101 1.00 0.60 H new ATOM 0 HG22 THR A 34 -12.684 -2.820 -14.783 1.00 0.60 H new ATOM 0 HG23 THR A 34 -14.444 -2.982 -14.574 1.00 0.60 H new ATOM 472 N VAL A 35 -11.079 -2.587 -11.056 1.00 0.53 N ATOM 473 CA VAL A 35 -9.655 -2.763 -10.801 1.00 0.55 C ATOM 474 C VAL A 35 -9.361 -4.151 -10.242 1.00 0.57 C ATOM 475 O VAL A 35 -8.460 -4.839 -10.720 1.00 0.58 O ATOM 476 CB VAL A 35 -9.126 -1.704 -9.803 1.00 0.58 C ATOM 477 CG1 VAL A 35 -7.616 -1.814 -9.636 1.00 0.63 C ATOM 478 CG2 VAL A 35 -9.523 -0.303 -10.244 1.00 0.60 C ATOM 0 H VAL A 35 -11.512 -1.839 -10.514 1.00 0.53 H new ATOM 0 HA VAL A 35 -9.148 -2.642 -11.758 1.00 0.55 H new ATOM 0 HB VAL A 35 -9.583 -1.898 -8.833 1.00 0.58 H new ATOM 0 HG11 VAL A 35 -7.272 -1.058 -8.930 1.00 0.63 H new ATOM 0 HG12 VAL A 35 -7.363 -2.805 -9.259 1.00 0.63 H new ATOM 0 HG13 VAL A 35 -7.131 -1.657 -10.600 1.00 0.63 H new ATOM 0 HG21 VAL A 35 -9.141 0.425 -9.529 1.00 0.60 H new ATOM 0 HG22 VAL A 35 -9.103 -0.099 -11.229 1.00 0.60 H new ATOM 0 HG23 VAL A 35 -10.610 -0.230 -10.291 1.00 0.60 H new ATOM 488 N MET A 36 -10.154 -4.574 -9.254 1.00 0.58 N ATOM 489 CA MET A 36 -9.977 -5.889 -8.633 1.00 0.62 C ATOM 490 C MET A 36 -10.253 -7.003 -9.640 1.00 0.62 C ATOM 491 O MET A 36 -9.845 -8.148 -9.450 1.00 0.67 O ATOM 492 CB MET A 36 -10.891 -6.043 -7.412 1.00 0.65 C ATOM 493 CG MET A 36 -10.420 -7.112 -6.431 1.00 0.82 C ATOM 494 SD MET A 36 -11.325 -7.087 -4.867 1.00 0.92 S ATOM 495 CE MET A 36 -10.900 -5.460 -4.249 1.00 1.07 C ATOM 0 H MET A 36 -10.923 -4.026 -8.868 1.00 0.58 H new ATOM 0 HA MET A 36 -8.941 -5.967 -8.302 1.00 0.62 H new ATOM 0 HB2 MET A 36 -10.954 -5.087 -6.892 1.00 0.65 H new ATOM 0 HB3 MET A 36 -11.898 -6.289 -7.750 1.00 0.65 H new ATOM 0 HG2 MET A 36 -10.530 -8.094 -6.892 1.00 0.82 H new ATOM 0 HG3 MET A 36 -9.358 -6.971 -6.232 1.00 0.82 H new ATOM 0 HE1 MET A 36 -11.004 -5.444 -3.164 1.00 1.07 H new ATOM 0 HE2 MET A 36 -9.870 -5.226 -4.519 1.00 1.07 H new ATOM 0 HE3 MET A 36 -11.567 -4.718 -4.688 1.00 1.07 H new ATOM 505 N ARG A 37 -10.889 -6.633 -10.743 1.00 0.60 N ATOM 506 CA ARG A 37 -11.218 -7.579 -11.795 1.00 0.63 C ATOM 507 C ARG A 37 -9.963 -7.878 -12.613 1.00 0.65 C ATOM 508 O ARG A 37 -9.667 -9.030 -12.929 1.00 0.68 O ATOM 509 CB ARG A 37 -12.321 -7.014 -12.697 1.00 0.64 C ATOM 510 CG ARG A 37 -12.546 -7.818 -13.966 1.00 0.72 C ATOM 511 CD ARG A 37 -12.763 -6.908 -15.167 1.00 0.83 C ATOM 512 NE ARG A 37 -11.593 -6.069 -15.440 1.00 0.86 N ATOM 513 CZ ARG A 37 -11.561 -5.103 -16.363 1.00 1.25 C ATOM 514 NH1 ARG A 37 -12.660 -4.765 -17.027 1.00 1.82 N ATOM 515 NH2 ARG A 37 -10.433 -4.444 -16.592 1.00 1.32 N ATOM 0 H ARG A 37 -11.188 -5.676 -10.931 1.00 0.60 H new ATOM 0 HA ARG A 37 -11.586 -8.502 -11.347 1.00 0.63 H new ATOM 0 HB2 ARG A 37 -13.253 -6.973 -12.134 1.00 0.64 H new ATOM 0 HB3 ARG A 37 -12.067 -5.989 -12.967 1.00 0.64 H new ATOM 0 HG2 ARG A 37 -11.687 -8.464 -14.147 1.00 0.72 H new ATOM 0 HG3 ARG A 37 -13.412 -8.468 -13.838 1.00 0.72 H new ATOM 0 HD2 ARG A 37 -12.987 -7.514 -16.045 1.00 0.83 H new ATOM 0 HD3 ARG A 37 -13.631 -6.273 -14.988 1.00 0.83 H new ATOM 0 HE ARG A 37 -10.749 -6.233 -14.891 1.00 0.86 H new ATOM 0 HH11 ARG A 37 -13.540 -5.244 -16.835 1.00 1.82 H new ATOM 0 HH12 ARG A 37 -12.625 -4.026 -17.729 1.00 1.82 H new ATOM 0 HH21 ARG A 37 -9.591 -4.675 -16.064 1.00 1.32 H new ATOM 0 HH22 ARG A 37 -10.407 -3.707 -17.296 1.00 1.32 H new ATOM 529 N SER A 38 -9.220 -6.823 -12.933 1.00 0.64 N ATOM 530 CA SER A 38 -7.987 -6.945 -13.704 1.00 0.68 C ATOM 531 C SER A 38 -6.897 -7.638 -12.896 1.00 0.66 C ATOM 532 O SER A 38 -5.878 -8.058 -13.440 1.00 0.69 O ATOM 533 CB SER A 38 -7.514 -5.560 -14.139 1.00 0.70 C ATOM 534 OG SER A 38 -8.618 -4.739 -14.489 1.00 0.80 O ATOM 0 H SER A 38 -9.453 -5.866 -12.668 1.00 0.64 H new ATOM 0 HA SER A 38 -8.192 -7.554 -14.584 1.00 0.68 H new ATOM 0 HB2 SER A 38 -6.949 -5.093 -13.332 1.00 0.70 H new ATOM 0 HB3 SER A 38 -6.839 -5.652 -14.990 1.00 0.70 H new ATOM 0 HG SER A 38 -8.294 -3.924 -14.926 1.00 0.80 H new ATOM 540 N LEU A 39 -7.121 -7.750 -11.594 1.00 0.66 N ATOM 541 CA LEU A 39 -6.169 -8.396 -10.706 1.00 0.67 C ATOM 542 C LEU A 39 -6.391 -9.900 -10.693 1.00 0.73 C ATOM 543 O LEU A 39 -5.739 -10.629 -9.945 1.00 0.86 O ATOM 544 CB LEU A 39 -6.292 -7.817 -9.293 1.00 0.62 C ATOM 545 CG LEU A 39 -6.033 -6.311 -9.201 1.00 0.58 C ATOM 546 CD1 LEU A 39 -6.163 -5.821 -7.768 1.00 0.60 C ATOM 547 CD2 LEU A 39 -4.655 -5.974 -9.752 1.00 0.57 C ATOM 0 H LEU A 39 -7.958 -7.399 -11.129 1.00 0.66 H new ATOM 0 HA LEU A 39 -5.160 -8.205 -11.072 1.00 0.67 H new ATOM 0 HB2 LEU A 39 -7.293 -8.025 -8.914 1.00 0.62 H new ATOM 0 HB3 LEU A 39 -5.590 -8.335 -8.639 1.00 0.62 H new ATOM 0 HG LEU A 39 -6.786 -5.802 -9.803 1.00 0.58 H new ATOM 0 HD11 LEU A 39 -5.974 -4.748 -7.732 1.00 0.60 H new ATOM 0 HD12 LEU A 39 -7.170 -6.025 -7.404 1.00 0.60 H new ATOM 0 HD13 LEU A 39 -5.438 -6.338 -7.139 1.00 0.60 H new ATOM 0 HD21 LEU A 39 -4.487 -4.900 -9.679 1.00 0.57 H new ATOM 0 HD22 LEU A 39 -3.894 -6.500 -9.176 1.00 0.57 H new ATOM 0 HD23 LEU A 39 -4.596 -6.281 -10.796 1.00 0.57 H new ATOM 559 N GLY A 40 -7.314 -10.352 -11.530 1.00 0.74 N ATOM 560 CA GLY A 40 -7.613 -11.762 -11.618 1.00 0.82 C ATOM 561 C GLY A 40 -8.452 -12.244 -10.458 1.00 0.79 C ATOM 562 O GLY A 40 -8.434 -13.425 -10.116 1.00 0.89 O ATOM 0 H GLY A 40 -7.863 -9.760 -12.153 1.00 0.74 H new ATOM 0 HA2 GLY A 40 -8.139 -11.962 -12.552 1.00 0.82 H new ATOM 0 HA3 GLY A 40 -6.682 -12.327 -11.649 1.00 0.82 H new ATOM 566 N GLN A 41 -9.187 -11.328 -9.853 1.00 0.80 N ATOM 567 CA GLN A 41 -10.053 -11.658 -8.734 1.00 0.79 C ATOM 568 C GLN A 41 -11.467 -11.202 -9.047 1.00 0.77 C ATOM 569 O GLN A 41 -11.682 -10.465 -10.013 1.00 0.92 O ATOM 570 CB GLN A 41 -9.536 -11.014 -7.443 1.00 0.82 C ATOM 571 CG GLN A 41 -8.230 -11.619 -6.958 1.00 0.93 C ATOM 572 CD GLN A 41 -7.673 -10.932 -5.729 1.00 1.02 C ATOM 573 OE1 GLN A 41 -8.032 -11.271 -4.601 1.00 1.25 O ATOM 574 NE2 GLN A 41 -6.777 -9.980 -5.936 1.00 1.23 N ATOM 0 H GLN A 41 -9.201 -10.344 -10.120 1.00 0.80 H new ATOM 0 HA GLN A 41 -10.055 -12.737 -8.581 1.00 0.79 H new ATOM 0 HB2 GLN A 41 -9.396 -9.946 -7.608 1.00 0.82 H new ATOM 0 HB3 GLN A 41 -10.290 -11.120 -6.663 1.00 0.82 H new ATOM 0 HG2 GLN A 41 -8.387 -12.675 -6.736 1.00 0.93 H new ATOM 0 HG3 GLN A 41 -7.494 -11.568 -7.760 1.00 0.93 H new ATOM 0 HE21 GLN A 41 -6.508 -9.731 -6.888 1.00 1.23 H new ATOM 0 HE22 GLN A 41 -6.355 -9.496 -5.144 1.00 1.23 H new ATOM 583 N ASN A 42 -12.433 -11.636 -8.250 1.00 0.69 N ATOM 584 CA ASN A 42 -13.819 -11.262 -8.492 1.00 0.69 C ATOM 585 C ASN A 42 -14.675 -11.394 -7.238 1.00 0.65 C ATOM 586 O ASN A 42 -15.165 -12.479 -6.917 1.00 0.74 O ATOM 587 CB ASN A 42 -14.415 -12.112 -9.619 1.00 0.76 C ATOM 588 CG ASN A 42 -15.747 -11.577 -10.099 1.00 1.02 C ATOM 589 OD1 ASN A 42 -16.804 -12.003 -9.637 1.00 1.37 O ATOM 590 ND2 ASN A 42 -15.709 -10.650 -11.039 1.00 1.33 N ATOM 0 H ASN A 42 -12.286 -12.239 -7.441 1.00 0.69 H new ATOM 0 HA ASN A 42 -13.821 -10.213 -8.788 1.00 0.69 H new ATOM 0 HB2 ASN A 42 -13.716 -12.144 -10.455 1.00 0.76 H new ATOM 0 HB3 ASN A 42 -14.542 -13.137 -9.270 1.00 0.76 H new ATOM 0 HD21 ASN A 42 -16.577 -10.261 -11.407 1.00 1.33 H new ATOM 0 HD22 ASN A 42 -14.812 -10.323 -11.396 1.00 1.33 H new ATOM 597 N PRO A 43 -14.829 -10.294 -6.494 1.00 0.60 N ATOM 598 CA PRO A 43 -15.659 -10.266 -5.303 1.00 0.61 C ATOM 599 C PRO A 43 -17.131 -10.012 -5.626 1.00 0.56 C ATOM 600 O PRO A 43 -17.464 -9.351 -6.612 1.00 0.55 O ATOM 601 CB PRO A 43 -15.098 -9.095 -4.507 1.00 0.65 C ATOM 602 CG PRO A 43 -14.502 -8.173 -5.518 1.00 0.74 C ATOM 603 CD PRO A 43 -14.153 -9.005 -6.728 1.00 0.66 C ATOM 0 HA PRO A 43 -15.635 -11.219 -4.774 1.00 0.61 H new ATOM 0 HB2 PRO A 43 -15.882 -8.597 -3.936 1.00 0.65 H new ATOM 0 HB3 PRO A 43 -14.347 -9.431 -3.792 1.00 0.65 H new ATOM 0 HG2 PRO A 43 -15.207 -7.385 -5.783 1.00 0.74 H new ATOM 0 HG3 PRO A 43 -13.614 -7.685 -5.117 1.00 0.74 H new ATOM 0 HD2 PRO A 43 -14.501 -8.535 -7.648 1.00 0.66 H new ATOM 0 HD3 PRO A 43 -13.075 -9.133 -6.824 1.00 0.66 H new ATOM 611 N THR A 44 -18.004 -10.553 -4.798 1.00 0.58 N ATOM 612 CA THR A 44 -19.433 -10.373 -4.963 1.00 0.58 C ATOM 613 C THR A 44 -19.888 -9.136 -4.189 1.00 0.52 C ATOM 614 O THR A 44 -19.066 -8.486 -3.549 1.00 0.49 O ATOM 615 CB THR A 44 -20.191 -11.616 -4.467 1.00 0.67 C ATOM 616 OG1 THR A 44 -19.774 -11.938 -3.134 1.00 0.91 O ATOM 617 CG2 THR A 44 -19.928 -12.807 -5.379 1.00 1.04 C ATOM 0 H THR A 44 -17.744 -11.127 -3.996 1.00 0.58 H new ATOM 0 HA THR A 44 -19.652 -10.235 -6.022 1.00 0.58 H new ATOM 0 HB THR A 44 -21.258 -11.394 -4.477 1.00 0.67 H new ATOM 0 HG1 THR A 44 -18.914 -12.407 -3.165 1.00 0.91 H new ATOM 0 HG21 THR A 44 -20.474 -13.675 -5.010 1.00 1.04 H new ATOM 0 HG22 THR A 44 -20.261 -12.572 -6.390 1.00 1.04 H new ATOM 0 HG23 THR A 44 -18.861 -13.027 -5.391 1.00 1.04 H new ATOM 625 N GLU A 45 -21.188 -8.812 -4.251 1.00 0.53 N ATOM 626 CA GLU A 45 -21.740 -7.645 -3.553 1.00 0.54 C ATOM 627 C GLU A 45 -21.240 -7.550 -2.106 1.00 0.50 C ATOM 628 O GLU A 45 -20.637 -6.548 -1.727 1.00 0.54 O ATOM 629 CB GLU A 45 -23.269 -7.696 -3.566 1.00 0.62 C ATOM 630 CG GLU A 45 -23.932 -6.323 -3.565 1.00 0.97 C ATOM 631 CD GLU A 45 -24.061 -5.716 -2.180 1.00 1.50 C ATOM 632 OE1 GLU A 45 -24.137 -6.479 -1.195 1.00 2.18 O ATOM 633 OE2 GLU A 45 -24.114 -4.469 -2.077 1.00 1.89 O ATOM 0 H GLU A 45 -21.878 -9.345 -4.780 1.00 0.53 H new ATOM 0 HA GLU A 45 -21.396 -6.758 -4.085 1.00 0.54 H new ATOM 0 HB2 GLU A 45 -23.597 -8.247 -4.448 1.00 0.62 H new ATOM 0 HB3 GLU A 45 -23.612 -8.255 -2.695 1.00 0.62 H new ATOM 0 HG2 GLU A 45 -23.354 -5.648 -4.197 1.00 0.97 H new ATOM 0 HG3 GLU A 45 -24.923 -6.406 -4.011 1.00 0.97 H new ATOM 640 N ALA A 46 -21.511 -8.579 -1.308 1.00 0.51 N ATOM 641 CA ALA A 46 -21.097 -8.605 0.096 1.00 0.54 C ATOM 642 C ALA A 46 -19.611 -8.291 0.275 1.00 0.50 C ATOM 643 O ALA A 46 -19.232 -7.578 1.200 1.00 0.51 O ATOM 644 CB ALA A 46 -21.423 -9.962 0.703 1.00 0.63 C ATOM 0 H ALA A 46 -22.018 -9.411 -1.610 1.00 0.51 H new ATOM 0 HA ALA A 46 -21.652 -7.823 0.614 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -21.113 -9.977 1.748 1.00 0.63 H new ATOM 0 HB2 ALA A 46 -22.496 -10.140 0.640 1.00 0.63 H new ATOM 0 HB3 ALA A 46 -20.893 -10.742 0.156 1.00 0.63 H new ATOM 650 N GLU A 47 -18.784 -8.813 -0.617 1.00 0.49 N ATOM 651 CA GLU A 47 -17.343 -8.601 -0.535 1.00 0.51 C ATOM 652 C GLU A 47 -16.960 -7.210 -1.028 1.00 0.49 C ATOM 653 O GLU A 47 -16.110 -6.548 -0.434 1.00 0.51 O ATOM 654 CB GLU A 47 -16.614 -9.678 -1.334 1.00 0.56 C ATOM 655 CG GLU A 47 -16.917 -11.083 -0.845 1.00 0.73 C ATOM 656 CD GLU A 47 -16.513 -12.149 -1.839 1.00 0.95 C ATOM 657 OE1 GLU A 47 -17.168 -12.256 -2.898 1.00 1.57 O ATOM 658 OE2 GLU A 47 -15.547 -12.886 -1.565 1.00 1.28 O ATOM 0 H GLU A 47 -19.083 -9.386 -1.406 1.00 0.49 H new ATOM 0 HA GLU A 47 -17.043 -8.672 0.511 1.00 0.51 H new ATOM 0 HB2 GLU A 47 -16.894 -9.596 -2.384 1.00 0.56 H new ATOM 0 HB3 GLU A 47 -15.540 -9.502 -1.276 1.00 0.56 H new ATOM 0 HG2 GLU A 47 -16.397 -11.255 0.097 1.00 0.73 H new ATOM 0 HG3 GLU A 47 -17.984 -11.169 -0.640 1.00 0.73 H new ATOM 665 N LEU A 48 -17.585 -6.781 -2.116 1.00 0.47 N ATOM 666 CA LEU A 48 -17.324 -5.464 -2.680 1.00 0.50 C ATOM 667 C LEU A 48 -17.673 -4.364 -1.689 1.00 0.48 C ATOM 668 O LEU A 48 -16.983 -3.347 -1.614 1.00 0.53 O ATOM 669 CB LEU A 48 -18.130 -5.265 -3.966 1.00 0.53 C ATOM 670 CG LEU A 48 -17.489 -5.802 -5.243 1.00 0.57 C ATOM 671 CD1 LEU A 48 -18.483 -5.747 -6.394 1.00 0.64 C ATOM 672 CD2 LEU A 48 -16.233 -5.010 -5.585 1.00 0.62 C ATOM 0 H LEU A 48 -18.278 -7.328 -2.627 1.00 0.47 H new ATOM 0 HA LEU A 48 -16.259 -5.406 -2.906 1.00 0.50 H new ATOM 0 HB2 LEU A 48 -19.101 -5.743 -3.841 1.00 0.53 H new ATOM 0 HB3 LEU A 48 -18.314 -4.198 -4.095 1.00 0.53 H new ATOM 0 HG LEU A 48 -17.204 -6.841 -5.078 1.00 0.57 H new ATOM 0 HD11 LEU A 48 -18.014 -6.133 -7.299 1.00 0.64 H new ATOM 0 HD12 LEU A 48 -19.355 -6.354 -6.151 1.00 0.64 H new ATOM 0 HD13 LEU A 48 -18.793 -4.715 -6.558 1.00 0.64 H new ATOM 0 HD21 LEU A 48 -15.790 -5.407 -6.498 1.00 0.62 H new ATOM 0 HD22 LEU A 48 -16.493 -3.962 -5.734 1.00 0.62 H new ATOM 0 HD23 LEU A 48 -15.516 -5.094 -4.768 1.00 0.62 H new ATOM 684 N GLN A 49 -18.712 -4.593 -0.899 1.00 0.48 N ATOM 685 CA GLN A 49 -19.161 -3.616 0.076 1.00 0.50 C ATOM 686 C GLN A 49 -18.320 -3.739 1.337 1.00 0.49 C ATOM 687 O GLN A 49 -18.044 -2.752 2.017 1.00 0.49 O ATOM 688 CB GLN A 49 -20.637 -3.847 0.393 1.00 0.57 C ATOM 689 CG GLN A 49 -21.480 -2.585 0.366 1.00 0.73 C ATOM 690 CD GLN A 49 -21.471 -1.899 -0.989 1.00 0.98 C ATOM 691 OE1 GLN A 49 -20.722 -0.950 -1.219 1.00 1.18 O ATOM 692 NE2 GLN A 49 -22.292 -2.385 -1.907 1.00 1.26 N ATOM 0 H GLN A 49 -19.261 -5.452 -0.916 1.00 0.48 H new ATOM 0 HA GLN A 49 -19.045 -2.611 -0.329 1.00 0.50 H new ATOM 0 HB2 GLN A 49 -21.045 -4.559 -0.324 1.00 0.57 H new ATOM 0 HB3 GLN A 49 -20.719 -4.305 1.379 1.00 0.57 H new ATOM 0 HG2 GLN A 49 -22.507 -2.834 0.635 1.00 0.73 H new ATOM 0 HG3 GLN A 49 -21.111 -1.891 1.122 1.00 0.73 H new ATOM 0 HE21 GLN A 49 -22.899 -3.173 -1.682 1.00 1.26 H new ATOM 0 HE22 GLN A 49 -22.317 -1.972 -2.839 1.00 1.26 H new ATOM 701 N ASP A 50 -17.920 -4.969 1.628 1.00 0.50 N ATOM 702 CA ASP A 50 -17.076 -5.265 2.793 1.00 0.53 C ATOM 703 C ASP A 50 -15.806 -4.426 2.736 1.00 0.50 C ATOM 704 O ASP A 50 -15.366 -3.863 3.740 1.00 0.53 O ATOM 705 CB ASP A 50 -16.729 -6.751 2.830 1.00 0.58 C ATOM 706 CG ASP A 50 -15.940 -7.140 4.061 1.00 0.81 C ATOM 707 OD1 ASP A 50 -16.488 -7.048 5.183 1.00 0.90 O ATOM 708 OD2 ASP A 50 -14.771 -7.549 3.908 1.00 1.38 O ATOM 0 H ASP A 50 -18.165 -5.789 1.073 1.00 0.50 H new ATOM 0 HA ASP A 50 -17.624 -5.016 3.702 1.00 0.53 H new ATOM 0 HB2 ASP A 50 -17.649 -7.335 2.794 1.00 0.58 H new ATOM 0 HB3 ASP A 50 -16.154 -7.007 1.940 1.00 0.58 H new ATOM 713 N MET A 51 -15.240 -4.341 1.537 1.00 0.47 N ATOM 714 CA MET A 51 -14.037 -3.553 1.297 1.00 0.47 C ATOM 715 C MET A 51 -14.318 -2.074 1.558 1.00 0.44 C ATOM 716 O MET A 51 -13.463 -1.345 2.066 1.00 0.46 O ATOM 717 CB MET A 51 -13.544 -3.746 -0.142 1.00 0.49 C ATOM 718 CG MET A 51 -12.541 -4.880 -0.308 1.00 0.54 C ATOM 719 SD MET A 51 -10.891 -4.430 0.278 1.00 0.88 S ATOM 720 CE MET A 51 -9.963 -5.918 -0.102 1.00 1.38 C ATOM 0 H MET A 51 -15.600 -4.814 0.708 1.00 0.47 H new ATOM 0 HA MET A 51 -13.259 -3.894 1.980 1.00 0.47 H new ATOM 0 HB2 MET A 51 -14.402 -3.937 -0.786 1.00 0.49 H new ATOM 0 HB3 MET A 51 -13.087 -2.818 -0.486 1.00 0.49 H new ATOM 0 HG2 MET A 51 -12.892 -5.755 0.239 1.00 0.54 H new ATOM 0 HG3 MET A 51 -12.486 -5.162 -1.359 1.00 0.54 H new ATOM 0 HE1 MET A 51 -9.005 -5.892 0.418 1.00 1.38 H new ATOM 0 HE2 MET A 51 -10.528 -6.792 0.222 1.00 1.38 H new ATOM 0 HE3 MET A 51 -9.791 -5.975 -1.177 1.00 1.38 H new ATOM 730 N ILE A 52 -15.498 -1.619 1.145 1.00 0.42 N ATOM 731 CA ILE A 52 -15.914 -0.236 1.360 1.00 0.43 C ATOM 732 C ILE A 52 -16.100 0.056 2.841 1.00 0.46 C ATOM 733 O ILE A 52 -15.698 1.114 3.321 1.00 0.46 O ATOM 734 CB ILE A 52 -17.226 0.087 0.608 1.00 0.43 C ATOM 735 CG1 ILE A 52 -17.029 -0.114 -0.898 1.00 0.43 C ATOM 736 CG2 ILE A 52 -17.687 1.507 0.901 1.00 0.48 C ATOM 737 CD1 ILE A 52 -15.875 0.679 -1.474 1.00 0.48 C ATOM 0 H ILE A 52 -16.186 -2.192 0.657 1.00 0.42 H new ATOM 0 HA ILE A 52 -15.119 0.397 0.966 1.00 0.43 H new ATOM 0 HB ILE A 52 -18.001 -0.595 0.958 1.00 0.43 H new ATOM 0 HG12 ILE A 52 -16.864 -1.173 -1.095 1.00 0.43 H new ATOM 0 HG13 ILE A 52 -17.946 0.168 -1.416 1.00 0.43 H new ATOM 0 HG21 ILE A 52 -18.612 1.708 0.360 1.00 0.48 H new ATOM 0 HG22 ILE A 52 -17.861 1.620 1.971 1.00 0.48 H new ATOM 0 HG23 ILE A 52 -16.919 2.212 0.582 1.00 0.48 H new ATOM 0 HD11 ILE A 52 -15.798 0.485 -2.544 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -16.046 1.743 -1.309 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -14.948 0.381 -0.984 1.00 0.48 H new ATOM 749 N ASN A 53 -16.683 -0.896 3.554 1.00 0.52 N ATOM 750 CA ASN A 53 -16.913 -0.768 4.993 1.00 0.59 C ATOM 751 C ASN A 53 -15.609 -0.498 5.752 1.00 0.61 C ATOM 752 O ASN A 53 -15.618 0.114 6.818 1.00 0.66 O ATOM 753 CB ASN A 53 -17.598 -2.036 5.524 1.00 0.68 C ATOM 754 CG ASN A 53 -16.988 -2.553 6.817 1.00 1.02 C ATOM 755 OD1 ASN A 53 -17.319 -2.086 7.904 1.00 1.29 O ATOM 756 ND2 ASN A 53 -16.089 -3.521 6.697 1.00 1.40 N ATOM 0 H ASN A 53 -17.010 -1.777 3.158 1.00 0.52 H new ATOM 0 HA ASN A 53 -17.566 0.089 5.159 1.00 0.59 H new ATOM 0 HB2 ASN A 53 -18.655 -1.828 5.687 1.00 0.68 H new ATOM 0 HB3 ASN A 53 -17.540 -2.817 4.765 1.00 0.68 H new ATOM 0 HD21 ASN A 53 -15.642 -3.908 7.528 1.00 1.40 H new ATOM 0 HD22 ASN A 53 -15.845 -3.879 5.773 1.00 1.40 H new ATOM 763 N GLU A 54 -14.486 -0.947 5.197 1.00 0.61 N ATOM 764 CA GLU A 54 -13.192 -0.731 5.832 1.00 0.66 C ATOM 765 C GLU A 54 -12.809 0.751 5.790 1.00 0.61 C ATOM 766 O GLU A 54 -11.986 1.213 6.578 1.00 0.71 O ATOM 767 CB GLU A 54 -12.118 -1.580 5.153 1.00 0.73 C ATOM 768 CG GLU A 54 -12.496 -3.045 5.011 1.00 1.31 C ATOM 769 CD GLU A 54 -12.497 -3.791 6.336 1.00 2.20 C ATOM 770 OE1 GLU A 54 -12.403 -3.139 7.401 1.00 2.84 O ATOM 771 OE2 GLU A 54 -12.591 -5.037 6.321 1.00 2.70 O ATOM 0 H GLU A 54 -14.447 -1.459 4.316 1.00 0.61 H new ATOM 0 HA GLU A 54 -13.267 -1.035 6.876 1.00 0.66 H new ATOM 0 HB2 GLU A 54 -11.914 -1.169 4.164 1.00 0.73 H new ATOM 0 HB3 GLU A 54 -11.193 -1.506 5.726 1.00 0.73 H new ATOM 0 HG2 GLU A 54 -13.486 -3.117 4.560 1.00 1.31 H new ATOM 0 HG3 GLU A 54 -11.798 -3.530 4.328 1.00 1.31 H new ATOM 778 N VAL A 55 -13.418 1.489 4.866 1.00 0.51 N ATOM 779 CA VAL A 55 -13.161 2.918 4.723 1.00 0.47 C ATOM 780 C VAL A 55 -14.335 3.733 5.273 1.00 0.44 C ATOM 781 O VAL A 55 -14.146 4.718 5.991 1.00 0.51 O ATOM 782 CB VAL A 55 -12.936 3.305 3.240 1.00 0.49 C ATOM 783 CG1 VAL A 55 -12.903 4.816 3.075 1.00 0.82 C ATOM 784 CG2 VAL A 55 -11.656 2.682 2.697 1.00 0.59 C ATOM 0 H VAL A 55 -14.097 1.118 4.202 1.00 0.51 H new ATOM 0 HA VAL A 55 -12.257 3.142 5.290 1.00 0.47 H new ATOM 0 HB VAL A 55 -13.774 2.913 2.664 1.00 0.49 H new ATOM 0 HG11 VAL A 55 -12.744 5.064 2.026 1.00 0.82 H new ATOM 0 HG12 VAL A 55 -13.851 5.239 3.408 1.00 0.82 H new ATOM 0 HG13 VAL A 55 -12.091 5.230 3.673 1.00 0.82 H new ATOM 0 HG21 VAL A 55 -11.525 2.971 1.654 1.00 0.59 H new ATOM 0 HG22 VAL A 55 -10.805 3.032 3.281 1.00 0.59 H new ATOM 0 HG23 VAL A 55 -11.722 1.596 2.767 1.00 0.59 H new ATOM 794 N ASP A 56 -15.547 3.301 4.939 1.00 0.48 N ATOM 795 CA ASP A 56 -16.767 3.986 5.357 1.00 0.47 C ATOM 796 C ASP A 56 -16.974 3.893 6.859 1.00 0.50 C ATOM 797 O ASP A 56 -17.056 2.798 7.417 1.00 0.55 O ATOM 798 CB ASP A 56 -17.979 3.384 4.646 1.00 0.48 C ATOM 799 CG ASP A 56 -19.170 4.315 4.640 1.00 0.47 C ATOM 800 OD1 ASP A 56 -19.269 5.149 3.720 1.00 0.48 O ATOM 801 OD2 ASP A 56 -20.030 4.208 5.533 1.00 0.53 O ATOM 0 H ASP A 56 -15.712 2.469 4.373 1.00 0.48 H new ATOM 0 HA ASP A 56 -16.661 5.037 5.087 1.00 0.47 H new ATOM 0 HB2 ASP A 56 -17.709 3.139 3.619 1.00 0.48 H new ATOM 0 HB3 ASP A 56 -18.255 2.450 5.134 1.00 0.48 H new ATOM 806 N ALA A 57 -17.068 5.037 7.515 1.00 0.55 N ATOM 807 CA ALA A 57 -17.271 5.070 8.953 1.00 0.60 C ATOM 808 C ALA A 57 -18.538 5.830 9.296 1.00 0.62 C ATOM 809 O ALA A 57 -18.999 5.805 10.435 1.00 0.67 O ATOM 810 CB ALA A 57 -16.074 5.682 9.663 1.00 0.68 C ATOM 0 H ALA A 57 -17.007 5.955 7.075 1.00 0.55 H new ATOM 0 HA ALA A 57 -17.378 4.042 9.299 1.00 0.60 H new ATOM 0 HB1 ALA A 57 -16.255 5.693 10.738 1.00 0.68 H new ATOM 0 HB2 ALA A 57 -15.184 5.090 9.451 1.00 0.68 H new ATOM 0 HB3 ALA A 57 -15.924 6.702 9.310 1.00 0.68 H new ATOM 816 N ASP A 58 -19.106 6.513 8.312 1.00 0.60 N ATOM 817 CA ASP A 58 -20.327 7.265 8.541 1.00 0.65 C ATOM 818 C ASP A 58 -21.536 6.334 8.489 1.00 0.66 C ATOM 819 O ASP A 58 -22.561 6.599 9.119 1.00 0.73 O ATOM 820 CB ASP A 58 -20.474 8.404 7.522 1.00 0.66 C ATOM 821 CG ASP A 58 -21.212 7.989 6.270 1.00 0.64 C ATOM 822 OD1 ASP A 58 -20.561 7.502 5.321 1.00 0.61 O ATOM 823 OD2 ASP A 58 -22.447 8.150 6.230 1.00 0.74 O ATOM 0 H ASP A 58 -18.745 6.561 7.359 1.00 0.60 H new ATOM 0 HA ASP A 58 -20.273 7.713 9.533 1.00 0.65 H new ATOM 0 HB2 ASP A 58 -21.002 9.235 7.989 1.00 0.66 H new ATOM 0 HB3 ASP A 58 -19.484 8.769 7.249 1.00 0.66 H new ATOM 828 N GLY A 59 -21.410 5.236 7.745 1.00 0.62 N ATOM 829 CA GLY A 59 -22.497 4.283 7.637 1.00 0.64 C ATOM 830 C GLY A 59 -23.326 4.480 6.383 1.00 0.67 C ATOM 831 O GLY A 59 -24.481 4.056 6.322 1.00 0.90 O ATOM 0 H GLY A 59 -20.573 4.992 7.216 1.00 0.62 H new ATOM 0 HA2 GLY A 59 -22.090 3.272 7.643 1.00 0.64 H new ATOM 0 HA3 GLY A 59 -23.142 4.373 8.511 1.00 0.64 H new ATOM 835 N ASN A 60 -22.745 5.123 5.380 1.00 0.57 N ATOM 836 CA ASN A 60 -23.455 5.370 4.130 1.00 0.58 C ATOM 837 C ASN A 60 -23.078 4.333 3.079 1.00 0.55 C ATOM 838 O ASN A 60 -23.874 4.004 2.198 1.00 0.60 O ATOM 839 CB ASN A 60 -23.186 6.795 3.615 1.00 0.59 C ATOM 840 CG ASN A 60 -22.253 6.848 2.416 1.00 0.55 C ATOM 841 OD1 ASN A 60 -21.029 6.923 2.559 1.00 0.52 O ATOM 842 ND2 ASN A 60 -22.822 6.825 1.223 1.00 0.58 N ATOM 0 H ASN A 60 -21.790 5.482 5.405 1.00 0.57 H new ATOM 0 HA ASN A 60 -24.523 5.281 4.327 1.00 0.58 H new ATOM 0 HB2 ASN A 60 -24.135 7.259 3.346 1.00 0.59 H new ATOM 0 HB3 ASN A 60 -22.758 7.389 4.423 1.00 0.59 H new ATOM 0 HD21 ASN A 60 -22.246 6.870 0.382 1.00 0.58 H new ATOM 0 HD22 ASN A 60 -23.837 6.762 1.143 1.00 0.58 H new ATOM 849 N GLY A 61 -21.863 3.816 3.180 1.00 0.51 N ATOM 850 CA GLY A 61 -21.403 2.824 2.234 1.00 0.51 C ATOM 851 C GLY A 61 -20.856 3.443 0.963 1.00 0.49 C ATOM 852 O GLY A 61 -21.188 3.006 -0.138 1.00 0.52 O ATOM 0 H GLY A 61 -21.187 4.067 3.902 1.00 0.51 H new ATOM 0 HA2 GLY A 61 -20.629 2.214 2.700 1.00 0.51 H new ATOM 0 HA3 GLY A 61 -22.227 2.156 1.983 1.00 0.51 H new ATOM 856 N THR A 62 -20.037 4.476 1.110 1.00 0.46 N ATOM 857 CA THR A 62 -19.426 5.145 -0.035 1.00 0.45 C ATOM 858 C THR A 62 -18.169 5.901 0.392 1.00 0.42 C ATOM 859 O THR A 62 -18.199 6.674 1.357 1.00 0.45 O ATOM 860 CB THR A 62 -20.396 6.142 -0.713 1.00 0.50 C ATOM 861 OG1 THR A 62 -21.555 5.459 -1.212 1.00 0.57 O ATOM 862 CG2 THR A 62 -19.716 6.877 -1.859 1.00 0.57 C ATOM 0 H THR A 62 -19.779 4.871 2.014 1.00 0.46 H new ATOM 0 HA THR A 62 -19.171 4.365 -0.752 1.00 0.45 H new ATOM 0 HB THR A 62 -20.699 6.868 0.042 1.00 0.50 H new ATOM 0 HG1 THR A 62 -21.480 4.502 -1.016 1.00 0.57 H new ATOM 0 HG21 THR A 62 -20.422 7.570 -2.316 1.00 0.57 H new ATOM 0 HG22 THR A 62 -18.858 7.431 -1.478 1.00 0.57 H new ATOM 0 HG23 THR A 62 -19.380 6.157 -2.605 1.00 0.57 H new ATOM 870 N ILE A 63 -17.067 5.648 -0.318 1.00 0.40 N ATOM 871 CA ILE A 63 -15.797 6.319 -0.058 1.00 0.37 C ATOM 872 C ILE A 63 -15.943 7.802 -0.424 1.00 0.40 C ATOM 873 O ILE A 63 -15.838 8.179 -1.594 1.00 0.44 O ATOM 874 CB ILE A 63 -14.642 5.654 -0.871 1.00 0.36 C ATOM 875 CG1 ILE A 63 -14.454 4.197 -0.425 1.00 0.39 C ATOM 876 CG2 ILE A 63 -13.333 6.423 -0.742 1.00 0.43 C ATOM 877 CD1 ILE A 63 -13.171 3.553 -0.907 1.00 0.46 C ATOM 0 H ILE A 63 -17.032 4.976 -1.084 1.00 0.40 H new ATOM 0 HA ILE A 63 -15.543 6.228 0.998 1.00 0.37 H new ATOM 0 HB ILE A 63 -14.926 5.676 -1.923 1.00 0.36 H new ATOM 0 HG12 ILE A 63 -14.478 4.158 0.664 1.00 0.39 H new ATOM 0 HG13 ILE A 63 -15.298 3.609 -0.784 1.00 0.39 H new ATOM 0 HG21 ILE A 63 -12.559 5.923 -1.324 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -13.469 7.438 -1.115 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -13.033 6.458 0.305 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -13.121 2.526 -0.546 1.00 0.46 H new ATOM 0 HD12 ILE A 63 -13.150 3.556 -1.997 1.00 0.46 H new ATOM 0 HD13 ILE A 63 -12.317 4.113 -0.526 1.00 0.46 H new ATOM 889 N ASP A 64 -16.223 8.632 0.579 1.00 0.41 N ATOM 890 CA ASP A 64 -16.435 10.063 0.363 1.00 0.45 C ATOM 891 C ASP A 64 -15.201 10.886 0.727 1.00 0.45 C ATOM 892 O ASP A 64 -14.176 10.337 1.116 1.00 0.42 O ATOM 893 CB ASP A 64 -17.653 10.554 1.159 1.00 0.49 C ATOM 894 CG ASP A 64 -17.610 10.175 2.631 1.00 0.49 C ATOM 895 OD1 ASP A 64 -16.715 10.655 3.351 1.00 0.49 O ATOM 896 OD2 ASP A 64 -18.485 9.393 3.068 1.00 0.52 O ATOM 0 H ASP A 64 -16.309 8.338 1.552 1.00 0.41 H new ATOM 0 HA ASP A 64 -16.623 10.204 -0.701 1.00 0.45 H new ATOM 0 HB2 ASP A 64 -17.720 11.639 1.073 1.00 0.49 H new ATOM 0 HB3 ASP A 64 -18.558 10.143 0.713 1.00 0.49 H new ATOM 901 N PHE A 65 -15.314 12.213 0.588 1.00 0.51 N ATOM 902 CA PHE A 65 -14.204 13.117 0.886 1.00 0.54 C ATOM 903 C PHE A 65 -13.888 13.154 2.384 1.00 0.54 C ATOM 904 O PHE A 65 -12.720 13.021 2.755 1.00 0.54 O ATOM 905 CB PHE A 65 -14.473 14.537 0.363 1.00 0.61 C ATOM 906 CG PHE A 65 -13.224 15.283 -0.033 1.00 0.74 C ATOM 907 CD1 PHE A 65 -12.498 14.907 -1.154 1.00 0.83 C ATOM 908 CD2 PHE A 65 -12.780 16.368 0.713 1.00 0.97 C ATOM 909 CE1 PHE A 65 -11.356 15.597 -1.520 1.00 1.04 C ATOM 910 CE2 PHE A 65 -11.641 17.061 0.350 1.00 1.15 C ATOM 911 CZ PHE A 65 -10.928 16.676 -0.768 1.00 1.15 C ATOM 0 H PHE A 65 -16.163 12.681 0.271 1.00 0.51 H new ATOM 0 HA PHE A 65 -13.332 12.722 0.366 1.00 0.54 H new ATOM 0 HB2 PHE A 65 -15.139 14.478 -0.498 1.00 0.61 H new ATOM 0 HB3 PHE A 65 -14.997 15.105 1.132 1.00 0.61 H new ATOM 0 HD1 PHE A 65 -12.828 14.067 -1.747 1.00 0.83 H new ATOM 0 HD2 PHE A 65 -13.333 16.674 1.589 1.00 0.97 H new ATOM 0 HE1 PHE A 65 -10.798 15.293 -2.393 1.00 1.04 H new ATOM 0 HE2 PHE A 65 -11.309 17.903 0.940 1.00 1.15 H new ATOM 0 HZ PHE A 65 -10.038 17.216 -1.055 1.00 1.15 H new ATOM 921 N PRO A 66 -14.893 13.358 3.277 1.00 0.55 N ATOM 922 CA PRO A 66 -14.646 13.370 4.723 1.00 0.56 C ATOM 923 C PRO A 66 -13.884 12.129 5.179 1.00 0.50 C ATOM 924 O PRO A 66 -12.874 12.232 5.881 1.00 0.52 O ATOM 925 CB PRO A 66 -16.048 13.393 5.331 1.00 0.59 C ATOM 926 CG PRO A 66 -16.909 14.013 4.292 1.00 0.63 C ATOM 927 CD PRO A 66 -16.321 13.613 2.968 1.00 0.58 C ATOM 0 HA PRO A 66 -14.030 14.217 5.027 1.00 0.56 H new ATOM 0 HB2 PRO A 66 -16.388 12.387 5.576 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -16.068 13.970 6.255 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -17.938 13.666 4.382 1.00 0.63 H new ATOM 0 HG3 PRO A 66 -16.928 15.098 4.398 1.00 0.63 H new ATOM 0 HD2 PRO A 66 -16.808 12.725 2.566 1.00 0.58 H new ATOM 0 HD3 PRO A 66 -16.435 14.402 2.225 1.00 0.58 H new ATOM 935 N GLU A 67 -14.359 10.960 4.760 1.00 0.46 N ATOM 936 CA GLU A 67 -13.712 9.705 5.112 1.00 0.43 C ATOM 937 C GLU A 67 -12.344 9.600 4.460 1.00 0.43 C ATOM 938 O GLU A 67 -11.428 9.044 5.040 1.00 0.44 O ATOM 939 CB GLU A 67 -14.568 8.520 4.687 1.00 0.41 C ATOM 940 CG GLU A 67 -15.556 8.078 5.751 1.00 0.43 C ATOM 941 CD GLU A 67 -16.773 7.412 5.163 1.00 0.43 C ATOM 942 OE1 GLU A 67 -16.786 7.122 3.950 1.00 0.39 O ATOM 943 OE2 GLU A 67 -17.753 7.183 5.900 1.00 0.51 O ATOM 0 H GLU A 67 -15.189 10.858 4.177 1.00 0.46 H new ATOM 0 HA GLU A 67 -13.591 9.688 6.195 1.00 0.43 H new ATOM 0 HB2 GLU A 67 -15.114 8.782 3.781 1.00 0.41 H new ATOM 0 HB3 GLU A 67 -13.917 7.683 4.436 1.00 0.41 H new ATOM 0 HG2 GLU A 67 -15.063 7.389 6.437 1.00 0.43 H new ATOM 0 HG3 GLU A 67 -15.866 8.943 6.337 1.00 0.43 H new ATOM 950 N PHE A 68 -12.211 10.198 3.282 1.00 0.44 N ATOM 951 CA PHE A 68 -10.961 10.156 2.534 1.00 0.46 C ATOM 952 C PHE A 68 -9.872 10.898 3.289 1.00 0.48 C ATOM 953 O PHE A 68 -8.713 10.483 3.293 1.00 0.48 O ATOM 954 CB PHE A 68 -11.146 10.765 1.145 1.00 0.50 C ATOM 955 CG PHE A 68 -10.216 10.201 0.108 1.00 0.73 C ATOM 956 CD1 PHE A 68 -10.526 9.021 -0.544 1.00 0.94 C ATOM 957 CD2 PHE A 68 -9.041 10.856 -0.218 1.00 1.02 C ATOM 958 CE1 PHE A 68 -9.677 8.498 -1.504 1.00 1.29 C ATOM 959 CE2 PHE A 68 -8.184 10.339 -1.176 1.00 1.34 C ATOM 960 CZ PHE A 68 -8.504 9.158 -1.820 1.00 1.44 C ATOM 0 H PHE A 68 -12.957 10.720 2.823 1.00 0.44 H new ATOM 0 HA PHE A 68 -10.663 9.114 2.419 1.00 0.46 H new ATOM 0 HB2 PHE A 68 -12.175 10.605 0.822 1.00 0.50 H new ATOM 0 HB3 PHE A 68 -10.995 11.843 1.208 1.00 0.50 H new ATOM 0 HD1 PHE A 68 -11.441 8.502 -0.301 1.00 0.94 H new ATOM 0 HD2 PHE A 68 -8.789 11.781 0.280 1.00 1.02 H new ATOM 0 HE1 PHE A 68 -9.931 7.576 -2.005 1.00 1.29 H new ATOM 0 HE2 PHE A 68 -7.268 10.857 -1.419 1.00 1.34 H new ATOM 0 HZ PHE A 68 -7.839 8.752 -2.568 1.00 1.44 H new ATOM 970 N LEU A 69 -10.254 11.990 3.936 1.00 0.52 N ATOM 971 CA LEU A 69 -9.323 12.796 4.708 1.00 0.56 C ATOM 972 C LEU A 69 -8.774 11.993 5.886 1.00 0.51 C ATOM 973 O LEU A 69 -7.563 11.810 6.019 1.00 0.50 O ATOM 974 CB LEU A 69 -10.028 14.060 5.208 1.00 0.66 C ATOM 975 CG LEU A 69 -10.518 14.997 4.100 1.00 0.75 C ATOM 976 CD1 LEU A 69 -11.311 16.156 4.681 1.00 0.89 C ATOM 977 CD2 LEU A 69 -9.344 15.512 3.284 1.00 0.82 C ATOM 0 H LEU A 69 -11.212 12.339 3.940 1.00 0.52 H new ATOM 0 HA LEU A 69 -8.487 13.083 4.070 1.00 0.56 H new ATOM 0 HB2 LEU A 69 -10.880 13.767 5.821 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -9.344 14.610 5.855 1.00 0.66 H new ATOM 0 HG LEU A 69 -11.178 14.431 3.442 1.00 0.75 H new ATOM 0 HD11 LEU A 69 -11.648 16.807 3.874 1.00 0.89 H new ATOM 0 HD12 LEU A 69 -12.176 15.771 5.221 1.00 0.89 H new ATOM 0 HD13 LEU A 69 -10.679 16.723 5.365 1.00 0.89 H new ATOM 0 HD21 LEU A 69 -9.709 16.176 2.501 1.00 0.82 H new ATOM 0 HD22 LEU A 69 -8.661 16.058 3.934 1.00 0.82 H new ATOM 0 HD23 LEU A 69 -8.819 14.671 2.831 1.00 0.82 H new ATOM 989 N THR A 70 -9.679 11.499 6.721 1.00 0.52 N ATOM 990 CA THR A 70 -9.301 10.714 7.884 1.00 0.54 C ATOM 991 C THR A 70 -8.635 9.392 7.469 1.00 0.47 C ATOM 992 O THR A 70 -7.678 8.949 8.105 1.00 0.53 O ATOM 993 CB THR A 70 -10.537 10.431 8.758 1.00 0.62 C ATOM 994 OG1 THR A 70 -11.349 11.610 8.836 1.00 0.63 O ATOM 995 CG2 THR A 70 -10.132 9.995 10.157 1.00 0.74 C ATOM 0 H THR A 70 -10.685 11.630 6.612 1.00 0.52 H new ATOM 0 HA THR A 70 -8.579 11.292 8.461 1.00 0.54 H new ATOM 0 HB THR A 70 -11.103 9.620 8.299 1.00 0.62 H new ATOM 0 HG1 THR A 70 -12.136 11.429 9.391 1.00 0.63 H new ATOM 0 HG21 THR A 70 -11.025 9.802 10.751 1.00 0.74 H new ATOM 0 HG22 THR A 70 -9.534 9.086 10.096 1.00 0.74 H new ATOM 0 HG23 THR A 70 -9.546 10.784 10.629 1.00 0.74 H new ATOM 1003 N MET A 71 -9.130 8.794 6.381 1.00 0.42 N ATOM 1004 CA MET A 71 -8.594 7.542 5.872 1.00 0.43 C ATOM 1005 C MET A 71 -7.158 7.723 5.402 1.00 0.39 C ATOM 1006 O MET A 71 -6.282 6.917 5.720 1.00 0.41 O ATOM 1007 CB MET A 71 -9.467 7.038 4.712 1.00 0.51 C ATOM 1008 CG MET A 71 -9.086 5.666 4.194 1.00 0.71 C ATOM 1009 SD MET A 71 -9.393 5.470 2.426 1.00 0.69 S ATOM 1010 CE MET A 71 -8.419 6.806 1.732 1.00 0.68 C ATOM 0 H MET A 71 -9.908 9.166 5.836 1.00 0.42 H new ATOM 0 HA MET A 71 -8.602 6.807 6.677 1.00 0.43 H new ATOM 0 HB2 MET A 71 -10.506 7.014 5.039 1.00 0.51 H new ATOM 0 HB3 MET A 71 -9.408 7.753 3.891 1.00 0.51 H new ATOM 0 HG2 MET A 71 -8.030 5.488 4.396 1.00 0.71 H new ATOM 0 HG3 MET A 71 -9.647 4.908 4.741 1.00 0.71 H new ATOM 0 HE1 MET A 71 -7.970 6.480 0.794 1.00 0.68 H new ATOM 0 HE2 MET A 71 -9.062 7.667 1.547 1.00 0.68 H new ATOM 0 HE3 MET A 71 -7.632 7.085 2.433 1.00 0.68 H new ATOM 1020 N MET A 72 -6.909 8.800 4.657 1.00 0.38 N ATOM 1021 CA MET A 72 -5.584 9.078 4.137 1.00 0.40 C ATOM 1022 C MET A 72 -4.604 9.363 5.270 1.00 0.42 C ATOM 1023 O MET A 72 -3.456 8.925 5.229 1.00 0.45 O ATOM 1024 CB MET A 72 -5.619 10.259 3.162 1.00 0.43 C ATOM 1025 CG MET A 72 -4.415 10.315 2.238 1.00 0.58 C ATOM 1026 SD MET A 72 -4.130 11.963 1.573 1.00 1.18 S ATOM 1027 CE MET A 72 -5.503 12.118 0.435 1.00 1.69 C ATOM 0 H MET A 72 -7.614 9.492 4.403 1.00 0.38 H new ATOM 0 HA MET A 72 -5.244 8.193 3.600 1.00 0.40 H new ATOM 0 HB2 MET A 72 -6.526 10.197 2.561 1.00 0.43 H new ATOM 0 HB3 MET A 72 -5.675 11.188 3.730 1.00 0.43 H new ATOM 0 HG2 MET A 72 -3.529 9.988 2.782 1.00 0.58 H new ATOM 0 HG3 MET A 72 -4.560 9.615 1.415 1.00 0.58 H new ATOM 0 HE1 MET A 72 -5.461 13.091 -0.055 1.00 1.69 H new ATOM 0 HE2 MET A 72 -5.444 11.331 -0.316 1.00 1.69 H new ATOM 0 HE3 MET A 72 -6.441 12.027 0.982 1.00 1.69 H new ATOM 1037 N ALA A 73 -5.062 10.088 6.287 1.00 0.45 N ATOM 1038 CA ALA A 73 -4.218 10.410 7.432 1.00 0.53 C ATOM 1039 C ALA A 73 -3.833 9.150 8.199 1.00 0.51 C ATOM 1040 O ALA A 73 -2.710 9.036 8.694 1.00 0.55 O ATOM 1041 CB ALA A 73 -4.912 11.396 8.363 1.00 0.63 C ATOM 0 H ALA A 73 -6.009 10.462 6.341 1.00 0.45 H new ATOM 0 HA ALA A 73 -3.309 10.875 7.049 1.00 0.53 H new ATOM 0 HB1 ALA A 73 -4.261 11.619 9.208 1.00 0.63 H new ATOM 0 HB2 ALA A 73 -5.131 12.316 7.821 1.00 0.63 H new ATOM 0 HB3 ALA A 73 -5.842 10.960 8.727 1.00 0.63 H new ATOM 1047 N ARG A 74 -4.766 8.203 8.284 1.00 0.49 N ATOM 1048 CA ARG A 74 -4.521 6.958 8.998 1.00 0.53 C ATOM 1049 C ARG A 74 -3.377 6.183 8.344 1.00 0.53 C ATOM 1050 O ARG A 74 -2.566 5.575 9.033 1.00 0.81 O ATOM 1051 CB ARG A 74 -5.791 6.096 9.050 1.00 0.59 C ATOM 1052 CG ARG A 74 -5.660 4.868 9.946 1.00 0.77 C ATOM 1053 CD ARG A 74 -6.490 3.695 9.442 1.00 1.02 C ATOM 1054 NE ARG A 74 -7.863 3.707 9.953 1.00 0.96 N ATOM 1055 CZ ARG A 74 -8.520 2.610 10.353 1.00 1.22 C ATOM 1056 NH1 ARG A 74 -7.932 1.419 10.313 1.00 1.45 N ATOM 1057 NH2 ARG A 74 -9.770 2.708 10.795 1.00 1.44 N ATOM 0 H ARG A 74 -5.694 8.277 7.868 1.00 0.49 H new ATOM 0 HA ARG A 74 -4.235 7.204 10.021 1.00 0.53 H new ATOM 0 HB2 ARG A 74 -6.621 6.707 9.405 1.00 0.59 H new ATOM 0 HB3 ARG A 74 -6.042 5.773 8.040 1.00 0.59 H new ATOM 0 HG2 ARG A 74 -4.613 4.572 10.002 1.00 0.77 H new ATOM 0 HG3 ARG A 74 -5.973 5.124 10.958 1.00 0.77 H new ATOM 0 HD2 ARG A 74 -6.513 3.714 8.352 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -6.007 2.763 9.734 1.00 1.02 H new ATOM 0 HE ARG A 74 -8.347 4.603 10.007 1.00 0.96 H new ATOM 0 HH11 ARG A 74 -6.973 1.335 9.976 1.00 1.45 H new ATOM 0 HH12 ARG A 74 -8.440 0.589 10.619 1.00 1.45 H new ATOM 0 HH21 ARG A 74 -10.229 3.618 10.830 1.00 1.44 H new ATOM 0 HH22 ARG A 74 -10.270 1.873 11.100 1.00 1.44 H new ATOM 1071 N LYS A 75 -3.298 6.225 7.015 1.00 0.42 N ATOM 1072 CA LYS A 75 -2.228 5.521 6.316 1.00 0.47 C ATOM 1073 C LYS A 75 -1.009 6.419 6.136 1.00 0.56 C ATOM 1074 O LYS A 75 0.061 5.953 5.750 1.00 0.78 O ATOM 1075 CB LYS A 75 -2.697 4.970 4.962 1.00 0.52 C ATOM 1076 CG LYS A 75 -1.936 3.720 4.569 1.00 0.72 C ATOM 1077 CD LYS A 75 -2.433 2.507 5.338 1.00 0.79 C ATOM 1078 CE LYS A 75 -3.875 2.213 4.979 1.00 0.86 C ATOM 1079 NZ LYS A 75 -4.219 0.783 5.134 1.00 0.83 N ATOM 0 H LYS A 75 -3.948 6.729 6.412 1.00 0.42 H new ATOM 0 HA LYS A 75 -1.943 4.672 6.937 1.00 0.47 H new ATOM 0 HB2 LYS A 75 -3.763 4.747 5.010 1.00 0.52 H new ATOM 0 HB3 LYS A 75 -2.565 5.732 4.194 1.00 0.52 H new ATOM 0 HG2 LYS A 75 -2.047 3.545 3.499 1.00 0.72 H new ATOM 0 HG3 LYS A 75 -0.873 3.864 4.760 1.00 0.72 H new ATOM 0 HD2 LYS A 75 -1.810 1.642 5.109 1.00 0.79 H new ATOM 0 HD3 LYS A 75 -2.347 2.687 6.410 1.00 0.79 H new ATOM 0 HE2 LYS A 75 -4.532 2.811 5.610 1.00 0.86 H new ATOM 0 HE3 LYS A 75 -4.058 2.518 3.949 1.00 0.86 H new ATOM 0 HZ1 LYS A 75 -5.050 0.560 4.549 1.00 0.83 H new ATOM 0 HZ2 LYS A 75 -3.415 0.198 4.830 1.00 0.83 H new ATOM 0 HZ3 LYS A 75 -4.435 0.584 6.132 1.00 0.83 H new ATOM 1093 N MET A 76 -1.165 7.707 6.430 1.00 0.58 N ATOM 1094 CA MET A 76 -0.060 8.653 6.310 1.00 0.72 C ATOM 1095 C MET A 76 1.018 8.335 7.336 1.00 0.71 C ATOM 1096 O MET A 76 2.202 8.259 7.008 1.00 0.80 O ATOM 1097 CB MET A 76 -0.541 10.090 6.512 1.00 0.92 C ATOM 1098 CG MET A 76 0.565 11.123 6.355 1.00 1.20 C ATOM 1099 SD MET A 76 0.253 12.647 7.277 1.00 1.55 S ATOM 1100 CE MET A 76 -1.287 13.192 6.542 1.00 1.68 C ATOM 0 H MET A 76 -2.041 8.118 6.752 1.00 0.58 H new ATOM 0 HA MET A 76 0.351 8.559 5.305 1.00 0.72 H new ATOM 0 HB2 MET A 76 -1.333 10.305 5.795 1.00 0.92 H new ATOM 0 HB3 MET A 76 -0.977 10.183 7.507 1.00 0.92 H new ATOM 0 HG2 MET A 76 1.508 10.690 6.690 1.00 1.20 H new ATOM 0 HG3 MET A 76 0.682 11.363 5.298 1.00 1.20 H new ATOM 0 HE1 MET A 76 -1.280 14.278 6.446 1.00 1.68 H new ATOM 0 HE2 MET A 76 -1.399 12.741 5.556 1.00 1.68 H new ATOM 0 HE3 MET A 76 -2.120 12.889 7.176 1.00 1.68 H new ATOM 1110 N LYS A 77 0.593 8.145 8.580 1.00 0.72 N ATOM 1111 CA LYS A 77 1.517 7.848 9.665 1.00 0.86 C ATOM 1112 C LYS A 77 0.986 6.728 10.563 1.00 0.77 C ATOM 1113 O LYS A 77 0.808 6.924 11.769 1.00 0.85 O ATOM 1114 CB LYS A 77 1.780 9.107 10.505 1.00 1.11 C ATOM 1115 CG LYS A 77 2.484 10.230 9.751 1.00 1.32 C ATOM 1116 CD LYS A 77 2.523 11.517 10.563 1.00 1.47 C ATOM 1117 CE LYS A 77 1.177 12.232 10.572 1.00 1.65 C ATOM 1118 NZ LYS A 77 1.151 13.346 11.558 1.00 1.95 N ATOM 0 H LYS A 77 -0.386 8.192 8.861 1.00 0.72 H new ATOM 0 HA LYS A 77 2.452 7.511 9.217 1.00 0.86 H new ATOM 0 HB2 LYS A 77 0.829 9.481 10.885 1.00 1.11 H new ATOM 0 HB3 LYS A 77 2.383 8.832 11.370 1.00 1.11 H new ATOM 0 HG2 LYS A 77 3.501 9.923 9.507 1.00 1.32 H new ATOM 0 HG3 LYS A 77 1.971 10.411 8.807 1.00 1.32 H new ATOM 0 HD2 LYS A 77 2.819 11.290 11.587 1.00 1.47 H new ATOM 0 HD3 LYS A 77 3.283 12.181 10.152 1.00 1.47 H new ATOM 0 HE2 LYS A 77 0.966 12.622 9.576 1.00 1.65 H new ATOM 0 HE3 LYS A 77 0.388 11.518 10.809 1.00 1.65 H new ATOM 0 HZ1 LYS A 77 0.220 13.808 11.535 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 1.328 12.970 12.511 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 1.888 14.040 11.318 1.00 1.95 H new ATOM 1132 N ASP A 78 0.718 5.561 9.977 1.00 0.83 N ATOM 1133 CA ASP A 78 0.231 4.414 10.747 1.00 0.83 C ATOM 1134 C ASP A 78 1.355 3.833 11.595 1.00 0.81 C ATOM 1135 O ASP A 78 2.486 3.694 11.126 1.00 1.06 O ATOM 1136 CB ASP A 78 -0.319 3.317 9.826 1.00 1.15 C ATOM 1137 CG ASP A 78 -0.494 1.990 10.550 1.00 1.18 C ATOM 1138 OD1 ASP A 78 -1.188 1.947 11.592 1.00 1.18 O ATOM 1139 OD2 ASP A 78 0.079 0.984 10.093 1.00 1.41 O ATOM 0 H ASP A 78 0.829 5.384 8.979 1.00 0.83 H new ATOM 0 HA ASP A 78 -0.574 4.768 11.391 1.00 0.83 H new ATOM 0 HB2 ASP A 78 -1.278 3.635 9.418 1.00 1.15 H new ATOM 0 HB3 ASP A 78 0.357 3.182 8.982 1.00 1.15 H new ATOM 1144 N THR A 79 1.046 3.508 12.839 1.00 0.72 N ATOM 1145 CA THR A 79 2.029 2.931 13.738 1.00 0.95 C ATOM 1146 C THR A 79 1.413 1.781 14.531 1.00 0.92 C ATOM 1147 O THR A 79 1.914 1.380 15.585 1.00 1.10 O ATOM 1148 CB THR A 79 2.607 4.002 14.680 1.00 1.28 C ATOM 1149 OG1 THR A 79 1.554 4.847 15.162 1.00 1.45 O ATOM 1150 CG2 THR A 79 3.648 4.839 13.947 1.00 1.43 C ATOM 0 H THR A 79 0.121 3.634 13.249 1.00 0.72 H new ATOM 0 HA THR A 79 2.850 2.535 13.141 1.00 0.95 H new ATOM 0 HB THR A 79 3.084 3.507 15.526 1.00 1.28 H new ATOM 0 HG1 THR A 79 1.928 5.525 15.762 1.00 1.45 H new ATOM 0 HG21 THR A 79 4.050 5.593 14.623 1.00 1.43 H new ATOM 0 HG22 THR A 79 4.456 4.194 13.601 1.00 1.43 H new ATOM 0 HG23 THR A 79 3.184 5.329 13.091 1.00 1.43 H new ATOM 1158 N ASP A 80 0.318 1.257 13.998 1.00 0.79 N ATOM 1159 CA ASP A 80 -0.400 0.148 14.608 1.00 0.83 C ATOM 1160 C ASP A 80 -0.367 -1.035 13.657 1.00 0.80 C ATOM 1161 O ASP A 80 -0.097 -2.165 14.056 1.00 1.18 O ATOM 1162 CB ASP A 80 -1.842 0.549 14.924 1.00 1.03 C ATOM 1163 CG ASP A 80 -1.930 1.482 16.112 1.00 1.39 C ATOM 1164 OD1 ASP A 80 -1.721 2.699 15.931 1.00 1.69 O ATOM 1165 OD2 ASP A 80 -2.214 1.002 17.228 1.00 1.78 O ATOM 0 H ASP A 80 -0.098 1.590 13.128 1.00 0.79 H new ATOM 0 HA ASP A 80 0.079 -0.127 15.548 1.00 0.83 H new ATOM 0 HB2 ASP A 80 -2.282 1.032 14.052 1.00 1.03 H new ATOM 0 HB3 ASP A 80 -2.431 -0.346 15.123 1.00 1.03 H new ATOM 1170 N SER A 81 -0.664 -0.744 12.396 1.00 0.74 N ATOM 1171 CA SER A 81 -0.613 -1.723 11.316 1.00 0.82 C ATOM 1172 C SER A 81 -1.455 -2.981 11.551 1.00 0.75 C ATOM 1173 O SER A 81 -0.948 -4.096 11.440 1.00 0.89 O ATOM 1174 CB SER A 81 0.850 -2.098 11.085 1.00 1.10 C ATOM 1175 OG SER A 81 1.654 -0.932 10.974 1.00 1.10 O ATOM 0 H SER A 81 -0.950 0.187 12.091 1.00 0.74 H new ATOM 0 HA SER A 81 -1.055 -1.255 10.436 1.00 0.82 H new ATOM 0 HB2 SER A 81 1.207 -2.715 11.909 1.00 1.10 H new ATOM 0 HB3 SER A 81 0.939 -2.695 10.178 1.00 1.10 H new ATOM 0 HG SER A 81 1.187 -0.263 10.431 1.00 1.10 H new ATOM 1181 N GLU A 82 -2.734 -2.822 11.861 1.00 0.69 N ATOM 1182 CA GLU A 82 -3.593 -3.986 12.048 1.00 0.76 C ATOM 1183 C GLU A 82 -4.102 -4.454 10.685 1.00 0.64 C ATOM 1184 O GLU A 82 -3.591 -5.423 10.116 1.00 0.78 O ATOM 1185 CB GLU A 82 -4.766 -3.671 12.988 1.00 0.90 C ATOM 1186 CG GLU A 82 -5.358 -4.909 13.646 1.00 1.13 C ATOM 1187 CD GLU A 82 -4.283 -5.879 14.096 1.00 1.39 C ATOM 1188 OE1 GLU A 82 -3.593 -5.583 15.097 1.00 1.86 O ATOM 1189 OE2 GLU A 82 -4.106 -6.928 13.444 1.00 1.72 O ATOM 0 H GLU A 82 -3.194 -1.920 11.986 1.00 0.69 H new ATOM 0 HA GLU A 82 -3.013 -4.782 12.514 1.00 0.76 H new ATOM 0 HB2 GLU A 82 -4.427 -2.983 13.763 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -5.546 -3.159 12.425 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -5.960 -4.611 14.504 1.00 1.13 H new ATOM 0 HG3 GLU A 82 -6.027 -5.408 12.945 1.00 1.13 H new ATOM 1196 N GLU A 83 -5.078 -3.739 10.149 1.00 0.53 N ATOM 1197 CA GLU A 83 -5.652 -4.062 8.851 1.00 0.52 C ATOM 1198 C GLU A 83 -4.910 -3.324 7.735 1.00 0.45 C ATOM 1199 O GLU A 83 -5.028 -3.667 6.559 1.00 0.48 O ATOM 1200 CB GLU A 83 -7.139 -3.681 8.826 1.00 0.68 C ATOM 1201 CG GLU A 83 -7.384 -2.182 8.947 1.00 1.37 C ATOM 1202 CD GLU A 83 -7.563 -1.737 10.386 1.00 1.96 C ATOM 1203 OE1 GLU A 83 -6.582 -1.787 11.154 1.00 2.40 O ATOM 1204 OE2 GLU A 83 -8.685 -1.331 10.756 1.00 2.70 O ATOM 0 H GLU A 83 -5.493 -2.923 10.598 1.00 0.53 H new ATOM 0 HA GLU A 83 -5.551 -5.135 8.687 1.00 0.52 H new ATOM 0 HB2 GLU A 83 -7.582 -4.040 7.897 1.00 0.68 H new ATOM 0 HB3 GLU A 83 -7.651 -4.192 9.642 1.00 0.68 H new ATOM 0 HG2 GLU A 83 -6.546 -1.643 8.505 1.00 1.37 H new ATOM 0 HG3 GLU A 83 -8.272 -1.915 8.374 1.00 1.37 H new ATOM 1211 N GLU A 84 -4.132 -2.317 8.124 1.00 0.44 N ATOM 1212 CA GLU A 84 -3.378 -1.496 7.173 1.00 0.46 C ATOM 1213 C GLU A 84 -2.442 -2.333 6.317 1.00 0.41 C ATOM 1214 O GLU A 84 -2.551 -2.360 5.090 1.00 0.46 O ATOM 1215 CB GLU A 84 -2.550 -0.434 7.907 1.00 0.56 C ATOM 1216 CG GLU A 84 -3.236 0.157 9.127 1.00 0.70 C ATOM 1217 CD GLU A 84 -4.583 0.760 8.806 1.00 0.73 C ATOM 1218 OE1 GLU A 84 -4.771 1.227 7.665 1.00 1.26 O ATOM 1219 OE2 GLU A 84 -5.454 0.766 9.695 1.00 1.27 O ATOM 0 H GLU A 84 -4.005 -2.046 9.099 1.00 0.44 H new ATOM 0 HA GLU A 84 -4.113 -1.016 6.526 1.00 0.46 H new ATOM 0 HB2 GLU A 84 -1.603 -0.877 8.216 1.00 0.56 H new ATOM 0 HB3 GLU A 84 -2.314 0.371 7.211 1.00 0.56 H new ATOM 0 HG2 GLU A 84 -3.361 -0.621 9.880 1.00 0.70 H new ATOM 0 HG3 GLU A 84 -2.595 0.923 9.563 1.00 0.70 H new ATOM 1226 N ILE A 85 -1.517 -3.010 6.982 1.00 0.38 N ATOM 1227 CA ILE A 85 -0.548 -3.844 6.300 1.00 0.42 C ATOM 1228 C ILE A 85 -1.231 -5.009 5.596 1.00 0.40 C ATOM 1229 O ILE A 85 -0.795 -5.450 4.531 1.00 0.41 O ATOM 1230 CB ILE A 85 0.521 -4.354 7.295 1.00 0.53 C ATOM 1231 CG1 ILE A 85 1.472 -3.206 7.664 1.00 1.17 C ATOM 1232 CG2 ILE A 85 1.298 -5.538 6.724 1.00 1.38 C ATOM 1233 CD1 ILE A 85 2.598 -3.614 8.582 1.00 1.50 C ATOM 0 H ILE A 85 -1.420 -2.995 7.997 1.00 0.38 H new ATOM 0 HA ILE A 85 -0.052 -3.239 5.541 1.00 0.42 H new ATOM 0 HB ILE A 85 0.015 -4.704 8.195 1.00 0.53 H new ATOM 0 HG12 ILE A 85 1.895 -2.790 6.750 1.00 1.17 H new ATOM 0 HG13 ILE A 85 0.898 -2.411 8.140 1.00 1.17 H new ATOM 0 HG21 ILE A 85 2.040 -5.870 7.450 1.00 1.38 H new ATOM 0 HG22 ILE A 85 0.610 -6.355 6.509 1.00 1.38 H new ATOM 0 HG23 ILE A 85 1.800 -5.235 5.805 1.00 1.38 H new ATOM 0 HD11 ILE A 85 3.225 -2.748 8.796 1.00 1.50 H new ATOM 0 HD12 ILE A 85 2.186 -4.002 9.513 1.00 1.50 H new ATOM 0 HD13 ILE A 85 3.198 -4.387 8.101 1.00 1.50 H new ATOM 1245 N ARG A 86 -2.335 -5.475 6.164 1.00 0.41 N ATOM 1246 CA ARG A 86 -3.071 -6.594 5.602 1.00 0.44 C ATOM 1247 C ARG A 86 -3.661 -6.226 4.240 1.00 0.42 C ATOM 1248 O ARG A 86 -3.458 -6.935 3.255 1.00 0.44 O ATOM 1249 CB ARG A 86 -4.187 -7.007 6.564 1.00 0.50 C ATOM 1250 CG ARG A 86 -4.500 -8.493 6.557 1.00 0.89 C ATOM 1251 CD ARG A 86 -3.392 -9.295 7.214 1.00 1.26 C ATOM 1252 NE ARG A 86 -3.877 -10.559 7.763 1.00 1.63 N ATOM 1253 CZ ARG A 86 -3.286 -11.210 8.762 1.00 2.02 C ATOM 1254 NH1 ARG A 86 -2.143 -10.767 9.264 1.00 2.11 N ATOM 1255 NH2 ARG A 86 -3.839 -12.313 9.252 1.00 2.57 N ATOM 0 H ARG A 86 -2.740 -5.092 7.018 1.00 0.41 H new ATOM 0 HA ARG A 86 -2.385 -7.429 5.461 1.00 0.44 H new ATOM 0 HB2 ARG A 86 -3.907 -6.711 7.575 1.00 0.50 H new ATOM 0 HB3 ARG A 86 -5.092 -6.456 6.310 1.00 0.50 H new ATOM 0 HG2 ARG A 86 -5.439 -8.671 7.080 1.00 0.89 H new ATOM 0 HG3 ARG A 86 -4.638 -8.833 5.530 1.00 0.89 H new ATOM 0 HD2 ARG A 86 -2.608 -9.495 6.483 1.00 1.26 H new ATOM 0 HD3 ARG A 86 -2.941 -8.704 8.011 1.00 1.26 H new ATOM 0 HE ARG A 86 -4.719 -10.967 7.356 1.00 1.63 H new ATOM 0 HH11 ARG A 86 -1.712 -9.924 8.885 1.00 2.11 H new ATOM 0 HH12 ARG A 86 -1.694 -11.269 10.030 1.00 2.11 H new ATOM 0 HH21 ARG A 86 -4.716 -12.660 8.863 1.00 2.57 H new ATOM 0 HH22 ARG A 86 -3.387 -12.813 10.018 1.00 2.57 H new ATOM 1269 N GLU A 87 -4.371 -5.101 4.197 1.00 0.42 N ATOM 1270 CA GLU A 87 -4.987 -4.614 2.967 1.00 0.44 C ATOM 1271 C GLU A 87 -3.974 -4.440 1.836 1.00 0.43 C ATOM 1272 O GLU A 87 -4.192 -4.943 0.729 1.00 0.45 O ATOM 1273 CB GLU A 87 -5.731 -3.295 3.236 1.00 0.48 C ATOM 1274 CG GLU A 87 -5.541 -2.225 2.163 1.00 0.47 C ATOM 1275 CD GLU A 87 -5.000 -0.936 2.739 1.00 0.64 C ATOM 1276 OE1 GLU A 87 -5.799 -0.128 3.249 1.00 0.92 O ATOM 1277 OE2 GLU A 87 -3.770 -0.734 2.704 1.00 1.47 O ATOM 0 H GLU A 87 -4.534 -4.505 5.009 1.00 0.42 H new ATOM 0 HA GLU A 87 -5.700 -5.370 2.638 1.00 0.44 H new ATOM 0 HB2 GLU A 87 -6.796 -3.508 3.333 1.00 0.48 H new ATOM 0 HB3 GLU A 87 -5.397 -2.894 4.193 1.00 0.48 H new ATOM 0 HG2 GLU A 87 -4.858 -2.595 1.398 1.00 0.47 H new ATOM 0 HG3 GLU A 87 -6.494 -2.031 1.672 1.00 0.47 H new ATOM 1284 N ALA A 88 -2.858 -3.749 2.090 1.00 0.41 N ATOM 1285 CA ALA A 88 -1.859 -3.536 1.051 1.00 0.40 C ATOM 1286 C ALA A 88 -1.162 -4.838 0.676 1.00 0.40 C ATOM 1287 O ALA A 88 -0.633 -4.976 -0.426 1.00 0.41 O ATOM 1288 CB ALA A 88 -0.839 -2.496 1.497 1.00 0.41 C ATOM 0 H ALA A 88 -2.630 -3.335 2.994 1.00 0.41 H new ATOM 0 HA ALA A 88 -2.374 -3.165 0.165 1.00 0.40 H new ATOM 0 HB1 ALA A 88 -0.100 -2.349 0.709 1.00 0.41 H new ATOM 0 HB2 ALA A 88 -1.346 -1.553 1.699 1.00 0.41 H new ATOM 0 HB3 ALA A 88 -0.340 -2.841 2.402 1.00 0.41 H new ATOM 1294 N PHE A 89 -1.197 -5.806 1.580 1.00 0.39 N ATOM 1295 CA PHE A 89 -0.564 -7.088 1.328 1.00 0.41 C ATOM 1296 C PHE A 89 -1.399 -7.865 0.321 1.00 0.43 C ATOM 1297 O PHE A 89 -0.866 -8.461 -0.603 1.00 0.46 O ATOM 1298 CB PHE A 89 -0.407 -7.903 2.616 1.00 0.42 C ATOM 1299 CG PHE A 89 0.995 -8.391 2.840 1.00 0.40 C ATOM 1300 CD1 PHE A 89 1.948 -7.553 3.403 1.00 0.52 C ATOM 1301 CD2 PHE A 89 1.365 -9.678 2.484 1.00 0.63 C ATOM 1302 CE1 PHE A 89 3.242 -7.994 3.607 1.00 0.64 C ATOM 1303 CE2 PHE A 89 2.658 -10.123 2.686 1.00 0.75 C ATOM 1304 CZ PHE A 89 3.598 -9.279 3.245 1.00 0.68 C ATOM 0 H PHE A 89 -1.654 -5.727 2.488 1.00 0.39 H new ATOM 0 HA PHE A 89 0.434 -6.908 0.929 1.00 0.41 H new ATOM 0 HB2 PHE A 89 -0.712 -7.291 3.465 1.00 0.42 H new ATOM 0 HB3 PHE A 89 -1.081 -8.759 2.581 1.00 0.42 H new ATOM 0 HD1 PHE A 89 1.676 -6.547 3.684 1.00 0.52 H new ATOM 0 HD2 PHE A 89 0.635 -10.341 2.044 1.00 0.63 H new ATOM 0 HE1 PHE A 89 3.974 -7.335 4.049 1.00 0.64 H new ATOM 0 HE2 PHE A 89 2.933 -11.129 2.407 1.00 0.75 H new ATOM 0 HZ PHE A 89 4.610 -9.623 3.399 1.00 0.68 H new ATOM 1314 N ARG A 90 -2.716 -7.805 0.488 1.00 0.45 N ATOM 1315 CA ARG A 90 -3.645 -8.499 -0.394 1.00 0.49 C ATOM 1316 C ARG A 90 -3.760 -7.807 -1.747 1.00 0.47 C ATOM 1317 O ARG A 90 -4.158 -8.423 -2.735 1.00 0.54 O ATOM 1318 CB ARG A 90 -5.022 -8.576 0.259 1.00 0.57 C ATOM 1319 CG ARG A 90 -5.132 -9.654 1.320 1.00 1.06 C ATOM 1320 CD ARG A 90 -6.582 -9.941 1.665 1.00 1.28 C ATOM 1321 NE ARG A 90 -7.369 -10.284 0.478 1.00 1.54 N ATOM 1322 CZ ARG A 90 -8.690 -10.139 0.393 1.00 1.91 C ATOM 1323 NH1 ARG A 90 -9.383 -9.688 1.428 1.00 2.17 N ATOM 1324 NH2 ARG A 90 -9.318 -10.460 -0.732 1.00 2.35 N ATOM 0 H ARG A 90 -3.167 -7.277 1.235 1.00 0.45 H new ATOM 0 HA ARG A 90 -3.257 -9.504 -0.560 1.00 0.49 H new ATOM 0 HB2 ARG A 90 -5.256 -7.611 0.708 1.00 0.57 H new ATOM 0 HB3 ARG A 90 -5.771 -8.759 -0.512 1.00 0.57 H new ATOM 0 HG2 ARG A 90 -4.653 -10.567 0.966 1.00 1.06 H new ATOM 0 HG3 ARG A 90 -4.598 -9.341 2.217 1.00 1.06 H new ATOM 0 HD2 ARG A 90 -6.629 -10.761 2.381 1.00 1.28 H new ATOM 0 HD3 ARG A 90 -7.019 -9.068 2.151 1.00 1.28 H new ATOM 0 HE ARG A 90 -6.875 -10.657 -0.333 1.00 1.54 H new ATOM 0 HH11 ARG A 90 -8.905 -9.449 2.297 1.00 2.17 H new ATOM 0 HH12 ARG A 90 -10.395 -9.579 1.356 1.00 2.17 H new ATOM 0 HH21 ARG A 90 -8.789 -10.816 -1.528 1.00 2.35 H new ATOM 0 HH22 ARG A 90 -10.330 -10.350 -0.800 1.00 2.35 H new ATOM 1338 N VAL A 91 -3.446 -6.520 -1.780 1.00 0.43 N ATOM 1339 CA VAL A 91 -3.506 -5.764 -3.021 1.00 0.43 C ATOM 1340 C VAL A 91 -2.250 -6.020 -3.858 1.00 0.41 C ATOM 1341 O VAL A 91 -2.329 -6.180 -5.075 1.00 0.41 O ATOM 1342 CB VAL A 91 -3.683 -4.247 -2.762 1.00 0.44 C ATOM 1343 CG1 VAL A 91 -3.529 -3.450 -4.049 1.00 0.47 C ATOM 1344 CG2 VAL A 91 -5.042 -3.971 -2.129 1.00 0.46 C ATOM 0 H VAL A 91 -3.149 -5.981 -0.967 1.00 0.43 H new ATOM 0 HA VAL A 91 -4.380 -6.106 -3.575 1.00 0.43 H new ATOM 0 HB VAL A 91 -2.902 -3.930 -2.071 1.00 0.44 H new ATOM 0 HG11 VAL A 91 -3.658 -2.389 -3.837 1.00 0.47 H new ATOM 0 HG12 VAL A 91 -2.536 -3.619 -4.465 1.00 0.47 H new ATOM 0 HG13 VAL A 91 -4.283 -3.771 -4.768 1.00 0.47 H new ATOM 0 HG21 VAL A 91 -5.151 -2.901 -1.953 1.00 0.46 H new ATOM 0 HG22 VAL A 91 -5.831 -4.311 -2.799 1.00 0.46 H new ATOM 0 HG23 VAL A 91 -5.117 -4.504 -1.181 1.00 0.46 H new ATOM 1354 N PHE A 92 -1.096 -6.076 -3.197 1.00 0.42 N ATOM 1355 CA PHE A 92 0.168 -6.324 -3.892 1.00 0.42 C ATOM 1356 C PHE A 92 0.340 -7.810 -4.189 1.00 0.43 C ATOM 1357 O PHE A 92 0.772 -8.184 -5.279 1.00 0.47 O ATOM 1358 CB PHE A 92 1.366 -5.830 -3.071 1.00 0.43 C ATOM 1359 CG PHE A 92 1.459 -4.334 -2.922 1.00 0.36 C ATOM 1360 CD1 PHE A 92 1.185 -3.489 -3.989 1.00 0.42 C ATOM 1361 CD2 PHE A 92 1.838 -3.772 -1.707 1.00 0.39 C ATOM 1362 CE1 PHE A 92 1.288 -2.120 -3.848 1.00 0.42 C ATOM 1363 CE2 PHE A 92 1.937 -2.404 -1.561 1.00 0.43 C ATOM 1364 CZ PHE A 92 1.663 -1.578 -2.634 1.00 0.40 C ATOM 0 H PHE A 92 -1.008 -5.954 -2.188 1.00 0.42 H new ATOM 0 HA PHE A 92 0.133 -5.769 -4.829 1.00 0.42 H new ATOM 0 HB2 PHE A 92 1.317 -6.277 -2.078 1.00 0.43 H new ATOM 0 HB3 PHE A 92 2.282 -6.192 -3.538 1.00 0.43 H new ATOM 0 HD1 PHE A 92 0.888 -3.907 -4.939 1.00 0.42 H new ATOM 0 HD2 PHE A 92 2.057 -4.415 -0.868 1.00 0.39 H new ATOM 0 HE1 PHE A 92 1.076 -1.473 -4.686 1.00 0.42 H new ATOM 0 HE2 PHE A 92 2.228 -1.980 -0.611 1.00 0.43 H new ATOM 0 HZ PHE A 92 1.742 -0.507 -2.523 1.00 0.40 H new ATOM 1374 N ASP A 93 0.003 -8.655 -3.217 1.00 0.44 N ATOM 1375 CA ASP A 93 0.137 -10.097 -3.382 1.00 0.47 C ATOM 1376 C ASP A 93 -1.033 -10.666 -4.163 1.00 0.52 C ATOM 1377 O ASP A 93 -2.009 -11.148 -3.589 1.00 0.80 O ATOM 1378 CB ASP A 93 0.257 -10.802 -2.030 1.00 0.50 C ATOM 1379 CG ASP A 93 1.315 -11.875 -2.059 1.00 0.52 C ATOM 1380 OD1 ASP A 93 2.425 -11.600 -2.538 1.00 0.54 O ATOM 1381 OD2 ASP A 93 1.048 -13.011 -1.639 1.00 0.80 O ATOM 0 H ASP A 93 -0.364 -8.365 -2.310 1.00 0.44 H new ATOM 0 HA ASP A 93 1.053 -10.276 -3.945 1.00 0.47 H new ATOM 0 HB2 ASP A 93 0.499 -10.072 -1.258 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -0.703 -11.243 -1.762 1.00 0.50 H new ATOM 1386 N LYS A 94 -0.906 -10.621 -5.483 1.00 0.48 N ATOM 1387 CA LYS A 94 -1.933 -11.110 -6.386 1.00 0.54 C ATOM 1388 C LYS A 94 -2.135 -12.626 -6.249 1.00 0.56 C ATOM 1389 O LYS A 94 -3.218 -13.140 -6.529 1.00 0.65 O ATOM 1390 CB LYS A 94 -1.569 -10.744 -7.830 1.00 0.60 C ATOM 1391 CG LYS A 94 -2.628 -11.120 -8.857 1.00 0.86 C ATOM 1392 CD LYS A 94 -2.066 -11.094 -10.269 1.00 1.06 C ATOM 1393 CE LYS A 94 -2.829 -12.025 -11.198 1.00 1.31 C ATOM 1394 NZ LYS A 94 -2.725 -13.447 -10.774 1.00 1.70 N ATOM 0 H LYS A 94 -0.085 -10.243 -5.956 1.00 0.48 H new ATOM 0 HA LYS A 94 -2.876 -10.632 -6.119 1.00 0.54 H new ATOM 0 HB2 LYS A 94 -1.390 -9.670 -7.886 1.00 0.60 H new ATOM 0 HB3 LYS A 94 -0.633 -11.237 -8.093 1.00 0.60 H new ATOM 0 HG2 LYS A 94 -3.014 -12.115 -8.636 1.00 0.86 H new ATOM 0 HG3 LYS A 94 -3.468 -10.429 -8.785 1.00 0.86 H new ATOM 0 HD2 LYS A 94 -2.109 -10.077 -10.658 1.00 1.06 H new ATOM 0 HD3 LYS A 94 -1.015 -11.383 -10.247 1.00 1.06 H new ATOM 0 HE2 LYS A 94 -3.878 -11.731 -11.224 1.00 1.31 H new ATOM 0 HE3 LYS A 94 -2.443 -11.920 -12.212 1.00 1.31 H new ATOM 0 HZ1 LYS A 94 -2.851 -14.066 -11.600 1.00 1.70 H new ATOM 0 HZ2 LYS A 94 -1.789 -13.616 -10.354 1.00 1.70 H new ATOM 0 HZ3 LYS A 94 -3.462 -13.654 -10.071 1.00 1.70 H new ATOM 1408 N ASP A 95 -1.100 -13.350 -5.822 1.00 0.55 N ATOM 1409 CA ASP A 95 -1.227 -14.799 -5.664 1.00 0.59 C ATOM 1410 C ASP A 95 -1.804 -15.150 -4.299 1.00 0.60 C ATOM 1411 O ASP A 95 -2.403 -16.210 -4.128 1.00 0.67 O ATOM 1412 CB ASP A 95 0.105 -15.545 -5.896 1.00 0.59 C ATOM 1413 CG ASP A 95 1.247 -15.097 -4.999 1.00 0.55 C ATOM 1414 OD1 ASP A 95 1.005 -14.582 -3.901 1.00 0.62 O ATOM 1415 OD2 ASP A 95 2.417 -15.249 -5.389 1.00 0.58 O ATOM 0 H ASP A 95 -0.184 -12.968 -5.584 1.00 0.55 H new ATOM 0 HA ASP A 95 -1.918 -15.134 -6.437 1.00 0.59 H new ATOM 0 HB2 ASP A 95 -0.060 -16.612 -5.745 1.00 0.59 H new ATOM 0 HB3 ASP A 95 0.404 -15.412 -6.936 1.00 0.59 H new ATOM 1420 N GLY A 96 -1.628 -14.261 -3.332 1.00 0.58 N ATOM 1421 CA GLY A 96 -2.140 -14.502 -1.998 1.00 0.61 C ATOM 1422 C GLY A 96 -1.302 -15.496 -1.215 1.00 0.61 C ATOM 1423 O GLY A 96 -1.802 -16.151 -0.298 1.00 0.72 O ATOM 0 H GLY A 96 -1.138 -13.374 -3.448 1.00 0.58 H new ATOM 0 HA2 GLY A 96 -2.179 -13.559 -1.453 1.00 0.61 H new ATOM 0 HA3 GLY A 96 -3.163 -14.872 -2.068 1.00 0.61 H new ATOM 1427 N ASN A 97 -0.025 -15.609 -1.561 1.00 0.61 N ATOM 1428 CA ASN A 97 0.867 -16.542 -0.874 1.00 0.62 C ATOM 1429 C ASN A 97 1.492 -15.902 0.368 1.00 0.60 C ATOM 1430 O ASN A 97 1.906 -16.599 1.295 1.00 0.66 O ATOM 1431 CB ASN A 97 1.955 -17.057 -1.827 1.00 0.62 C ATOM 1432 CG ASN A 97 3.254 -16.268 -1.758 1.00 0.55 C ATOM 1433 OD1 ASN A 97 3.367 -15.167 -2.315 1.00 0.58 O ATOM 1434 ND2 ASN A 97 4.252 -16.836 -1.095 1.00 0.72 N ATOM 0 H ASN A 97 0.416 -15.071 -2.307 1.00 0.61 H new ATOM 0 HA ASN A 97 0.269 -17.392 -0.545 1.00 0.62 H new ATOM 0 HB2 ASN A 97 2.163 -18.102 -1.596 1.00 0.62 H new ATOM 0 HB3 ASN A 97 1.575 -17.026 -2.848 1.00 0.62 H new ATOM 0 HD21 ASN A 97 5.154 -16.365 -1.030 1.00 0.72 H new ATOM 0 HD22 ASN A 97 4.117 -17.744 -0.650 1.00 0.72 H new ATOM 1441 N GLY A 98 1.559 -14.579 0.380 1.00 0.55 N ATOM 1442 CA GLY A 98 2.127 -13.875 1.516 1.00 0.56 C ATOM 1443 C GLY A 98 3.520 -13.332 1.245 1.00 0.53 C ATOM 1444 O GLY A 98 4.195 -12.852 2.156 1.00 0.58 O ATOM 0 H GLY A 98 1.231 -13.978 -0.376 1.00 0.55 H new ATOM 0 HA2 GLY A 98 1.469 -13.050 1.791 1.00 0.56 H new ATOM 0 HA3 GLY A 98 2.167 -14.550 2.371 1.00 0.56 H new ATOM 1448 N TYR A 99 3.954 -13.410 -0.004 1.00 0.53 N ATOM 1449 CA TYR A 99 5.277 -12.927 -0.395 1.00 0.50 C ATOM 1450 C TYR A 99 5.181 -12.041 -1.627 1.00 0.50 C ATOM 1451 O TYR A 99 4.955 -12.537 -2.740 1.00 0.54 O ATOM 1452 CB TYR A 99 6.216 -14.092 -0.701 1.00 0.52 C ATOM 1453 CG TYR A 99 6.944 -14.655 0.499 1.00 0.70 C ATOM 1454 CD1 TYR A 99 6.356 -15.617 1.312 1.00 0.92 C ATOM 1455 CD2 TYR A 99 8.236 -14.246 0.796 1.00 0.91 C ATOM 1456 CE1 TYR A 99 7.038 -16.153 2.389 1.00 1.19 C ATOM 1457 CE2 TYR A 99 8.920 -14.772 1.874 1.00 1.17 C ATOM 1458 CZ TYR A 99 8.321 -15.726 2.663 1.00 1.26 C ATOM 1459 OH TYR A 99 9.009 -16.261 3.729 1.00 1.57 O ATOM 0 H TYR A 99 3.409 -13.805 -0.770 1.00 0.53 H new ATOM 0 HA TYR A 99 5.675 -12.352 0.441 1.00 0.50 H new ATOM 0 HB2 TYR A 99 5.640 -14.892 -1.166 1.00 0.52 H new ATOM 0 HB3 TYR A 99 6.953 -13.763 -1.433 1.00 0.52 H new ATOM 0 HD1 TYR A 99 5.351 -15.951 1.099 1.00 0.92 H new ATOM 0 HD2 TYR A 99 8.715 -13.504 0.174 1.00 0.91 H new ATOM 0 HE1 TYR A 99 6.569 -16.901 3.011 1.00 1.19 H new ATOM 0 HE2 TYR A 99 9.922 -14.435 2.097 1.00 1.17 H new ATOM 0 HH TYR A 99 9.898 -15.853 3.782 1.00 1.57 H new ATOM 1469 N ILE A 100 5.349 -10.746 -1.432 1.00 0.49 N ATOM 1470 CA ILE A 100 5.278 -9.789 -2.528 1.00 0.52 C ATOM 1471 C ILE A 100 6.632 -9.661 -3.209 1.00 0.61 C ATOM 1472 O ILE A 100 7.659 -9.643 -2.549 1.00 0.64 O ATOM 1473 CB ILE A 100 4.834 -8.400 -2.030 1.00 0.55 C ATOM 1474 CG1 ILE A 100 3.547 -8.517 -1.211 1.00 0.58 C ATOM 1475 CG2 ILE A 100 4.634 -7.452 -3.204 1.00 0.60 C ATOM 1476 CD1 ILE A 100 3.305 -7.342 -0.288 1.00 0.69 C ATOM 0 H ILE A 100 5.537 -10.328 -0.521 1.00 0.49 H new ATOM 0 HA ILE A 100 4.541 -10.161 -3.239 1.00 0.52 H new ATOM 0 HB ILE A 100 5.617 -7.994 -1.390 1.00 0.55 H new ATOM 0 HG12 ILE A 100 2.701 -8.613 -1.892 1.00 0.58 H new ATOM 0 HG13 ILE A 100 3.585 -9.431 -0.619 1.00 0.58 H new ATOM 0 HG21 ILE A 100 4.321 -6.476 -2.834 1.00 0.60 H new ATOM 0 HG22 ILE A 100 5.571 -7.349 -3.752 1.00 0.60 H new ATOM 0 HG23 ILE A 100 3.867 -7.852 -3.868 1.00 0.60 H new ATOM 0 HD11 ILE A 100 2.375 -7.495 0.260 1.00 0.69 H new ATOM 0 HD12 ILE A 100 4.132 -7.257 0.417 1.00 0.69 H new ATOM 0 HD13 ILE A 100 3.234 -6.427 -0.875 1.00 0.69 H new ATOM 1488 N SER A 101 6.638 -9.582 -4.525 1.00 0.84 N ATOM 1489 CA SER A 101 7.881 -9.448 -5.262 1.00 1.02 C ATOM 1490 C SER A 101 7.644 -8.676 -6.556 1.00 0.95 C ATOM 1491 O SER A 101 6.524 -8.227 -6.812 1.00 0.85 O ATOM 1492 CB SER A 101 8.451 -10.835 -5.563 1.00 1.14 C ATOM 1493 OG SER A 101 7.474 -11.666 -6.168 1.00 1.12 O ATOM 0 H SER A 101 5.800 -9.608 -5.105 1.00 0.84 H new ATOM 0 HA SER A 101 8.599 -8.894 -4.658 1.00 1.02 H new ATOM 0 HB2 SER A 101 9.314 -10.742 -6.223 1.00 1.14 H new ATOM 0 HB3 SER A 101 8.804 -11.295 -4.640 1.00 1.14 H new ATOM 0 HG SER A 101 7.862 -12.547 -6.352 1.00 1.12 H new ATOM 1499 N ALA A 102 8.686 -8.547 -7.385 1.00 1.01 N ATOM 1500 CA ALA A 102 8.585 -7.848 -8.675 1.00 0.98 C ATOM 1501 C ALA A 102 7.679 -8.630 -9.626 1.00 0.86 C ATOM 1502 O ALA A 102 7.412 -8.226 -10.757 1.00 1.30 O ATOM 1503 CB ALA A 102 9.965 -7.664 -9.279 1.00 1.09 C ATOM 0 H ALA A 102 9.615 -8.919 -7.186 1.00 1.01 H new ATOM 0 HA ALA A 102 8.147 -6.863 -8.512 1.00 0.98 H new ATOM 0 HB1 ALA A 102 9.878 -7.145 -10.234 1.00 1.09 H new ATOM 0 HB2 ALA A 102 10.583 -7.075 -8.601 1.00 1.09 H new ATOM 0 HB3 ALA A 102 10.426 -8.639 -9.436 1.00 1.09 H new ATOM 1509 N ALA A 103 7.209 -9.743 -9.107 1.00 0.56 N ATOM 1510 CA ALA A 103 6.313 -10.622 -9.820 1.00 0.66 C ATOM 1511 C ALA A 103 4.943 -9.953 -9.931 1.00 0.52 C ATOM 1512 O ALA A 103 4.577 -9.420 -10.978 1.00 0.57 O ATOM 1513 CB ALA A 103 6.212 -11.973 -9.121 1.00 0.93 C ATOM 0 H ALA A 103 7.442 -10.065 -8.168 1.00 0.56 H new ATOM 0 HA ALA A 103 6.702 -10.805 -10.822 1.00 0.66 H new ATOM 0 HB1 ALA A 103 5.532 -12.620 -9.675 1.00 0.93 H new ATOM 0 HB2 ALA A 103 7.198 -12.435 -9.079 1.00 0.93 H new ATOM 0 HB3 ALA A 103 5.834 -11.831 -8.109 1.00 0.93 H new ATOM 1519 N GLU A 104 4.218 -9.964 -8.826 1.00 0.45 N ATOM 1520 CA GLU A 104 2.883 -9.368 -8.753 1.00 0.42 C ATOM 1521 C GLU A 104 2.899 -7.841 -8.625 1.00 0.43 C ATOM 1522 O GLU A 104 1.994 -7.172 -9.127 1.00 0.46 O ATOM 1523 CB GLU A 104 2.145 -9.976 -7.566 1.00 0.51 C ATOM 1524 CG GLU A 104 2.277 -11.487 -7.497 1.00 0.49 C ATOM 1525 CD GLU A 104 2.513 -11.991 -6.092 1.00 0.60 C ATOM 1526 OE1 GLU A 104 1.534 -12.200 -5.355 1.00 0.83 O ATOM 1527 OE2 GLU A 104 3.681 -12.201 -5.702 1.00 0.78 O ATOM 0 H GLU A 104 4.532 -10.384 -7.951 1.00 0.45 H new ATOM 0 HA GLU A 104 2.376 -9.588 -9.693 1.00 0.42 H new ATOM 0 HB2 GLU A 104 2.530 -9.541 -6.644 1.00 0.51 H new ATOM 0 HB3 GLU A 104 1.089 -9.711 -7.627 1.00 0.51 H new ATOM 0 HG2 GLU A 104 1.371 -11.945 -7.895 1.00 0.49 H new ATOM 0 HG3 GLU A 104 3.102 -11.805 -8.135 1.00 0.49 H new ATOM 1534 N LEU A 105 3.926 -7.289 -7.970 1.00 0.43 N ATOM 1535 CA LEU A 105 4.018 -5.840 -7.776 1.00 0.47 C ATOM 1536 C LEU A 105 4.068 -5.106 -9.111 1.00 0.48 C ATOM 1537 O LEU A 105 3.478 -4.037 -9.270 1.00 0.50 O ATOM 1538 CB LEU A 105 5.247 -5.478 -6.938 1.00 0.50 C ATOM 1539 CG LEU A 105 5.319 -4.016 -6.491 1.00 0.55 C ATOM 1540 CD1 LEU A 105 4.197 -3.705 -5.515 1.00 0.61 C ATOM 1541 CD2 LEU A 105 6.669 -3.710 -5.862 1.00 0.63 C ATOM 0 H LEU A 105 4.699 -7.820 -7.568 1.00 0.43 H new ATOM 0 HA LEU A 105 3.122 -5.525 -7.241 1.00 0.47 H new ATOM 0 HB2 LEU A 105 5.264 -6.114 -6.053 1.00 0.50 H new ATOM 0 HB3 LEU A 105 6.142 -5.710 -7.515 1.00 0.50 H new ATOM 0 HG LEU A 105 5.201 -3.383 -7.371 1.00 0.55 H new ATOM 0 HD11 LEU A 105 4.262 -2.662 -5.206 1.00 0.61 H new ATOM 0 HD12 LEU A 105 3.236 -3.882 -5.997 1.00 0.61 H new ATOM 0 HD13 LEU A 105 4.287 -4.348 -4.640 1.00 0.61 H new ATOM 0 HD21 LEU A 105 6.698 -2.665 -5.552 1.00 0.63 H new ATOM 0 HD22 LEU A 105 6.819 -4.351 -4.993 1.00 0.63 H new ATOM 0 HD23 LEU A 105 7.459 -3.894 -6.590 1.00 0.63 H new ATOM 1553 N ARG A 106 4.764 -5.702 -10.069 1.00 0.49 N ATOM 1554 CA ARG A 106 4.902 -5.133 -11.400 1.00 0.52 C ATOM 1555 C ARG A 106 3.531 -4.957 -12.058 1.00 0.53 C ATOM 1556 O ARG A 106 3.284 -3.973 -12.761 1.00 0.59 O ATOM 1557 CB ARG A 106 5.789 -6.055 -12.244 1.00 0.56 C ATOM 1558 CG ARG A 106 5.843 -5.708 -13.722 1.00 0.82 C ATOM 1559 CD ARG A 106 6.633 -6.745 -14.502 1.00 0.84 C ATOM 1560 NE ARG A 106 8.076 -6.497 -14.459 1.00 0.72 N ATOM 1561 CZ ARG A 106 8.976 -7.375 -14.008 1.00 0.86 C ATOM 1562 NH1 ARG A 106 8.587 -8.549 -13.531 1.00 1.18 N ATOM 1563 NH2 ARG A 106 10.269 -7.078 -14.043 1.00 0.90 N ATOM 0 H ARG A 106 5.247 -6.592 -9.945 1.00 0.49 H new ATOM 0 HA ARG A 106 5.364 -4.148 -11.327 1.00 0.52 H new ATOM 0 HB2 ARG A 106 6.802 -6.030 -11.842 1.00 0.56 H new ATOM 0 HB3 ARG A 106 5.430 -7.079 -12.138 1.00 0.56 H new ATOM 0 HG2 ARG A 106 4.830 -5.644 -14.120 1.00 0.82 H new ATOM 0 HG3 ARG A 106 6.299 -4.727 -13.851 1.00 0.82 H new ATOM 0 HD2 ARG A 106 6.425 -7.736 -14.097 1.00 0.84 H new ATOM 0 HD3 ARG A 106 6.298 -6.748 -15.539 1.00 0.84 H new ATOM 0 HE ARG A 106 8.415 -5.596 -14.795 1.00 0.72 H new ATOM 0 HH11 ARG A 106 7.595 -8.786 -13.507 1.00 1.18 H new ATOM 0 HH12 ARG A 106 9.279 -9.215 -13.188 1.00 1.18 H new ATOM 0 HH21 ARG A 106 10.576 -6.179 -14.414 1.00 0.90 H new ATOM 0 HH22 ARG A 106 10.956 -7.749 -13.698 1.00 0.90 H new ATOM 1577 N HIS A 107 2.639 -5.904 -11.797 1.00 0.52 N ATOM 1578 CA HIS A 107 1.303 -5.871 -12.366 1.00 0.54 C ATOM 1579 C HIS A 107 0.487 -4.718 -11.779 1.00 0.54 C ATOM 1580 O HIS A 107 -0.131 -3.956 -12.520 1.00 0.59 O ATOM 1581 CB HIS A 107 0.579 -7.204 -12.126 1.00 0.58 C ATOM 1582 CG HIS A 107 -0.787 -7.264 -12.744 1.00 0.62 C ATOM 1583 ND1 HIS A 107 -0.965 -7.115 -14.095 1.00 0.80 N ATOM 1584 CD2 HIS A 107 -1.995 -7.455 -12.160 1.00 0.60 C ATOM 1585 CE1 HIS A 107 -2.261 -7.222 -14.307 1.00 0.83 C ATOM 1586 NE2 HIS A 107 -2.931 -7.430 -13.164 1.00 0.70 N ATOM 0 H HIS A 107 2.820 -6.706 -11.193 1.00 0.52 H new ATOM 0 HA HIS A 107 1.401 -5.713 -13.440 1.00 0.54 H new ATOM 0 HB2 HIS A 107 1.186 -8.015 -12.527 1.00 0.58 H new ATOM 0 HB3 HIS A 107 0.491 -7.372 -11.053 1.00 0.58 H new ATOM 0 HD2 HIS A 107 -2.185 -7.599 -11.107 1.00 0.60 H new ATOM 0 HE1 HIS A 107 -2.726 -7.151 -15.279 1.00 0.83 H new ATOM 0 HE2 HIS A 107 -3.939 -7.547 -13.061 1.00 0.70 H new ATOM 1594 N VAL A 108 0.511 -4.588 -10.460 1.00 0.49 N ATOM 1595 CA VAL A 108 -0.237 -3.528 -9.782 1.00 0.49 C ATOM 1596 C VAL A 108 0.293 -2.154 -10.186 1.00 0.49 C ATOM 1597 O VAL A 108 -0.483 -1.231 -10.432 1.00 0.52 O ATOM 1598 CB VAL A 108 -0.176 -3.687 -8.252 1.00 0.50 C ATOM 1599 CG1 VAL A 108 -1.010 -2.622 -7.556 1.00 0.53 C ATOM 1600 CG2 VAL A 108 -0.648 -5.074 -7.842 1.00 0.53 C ATOM 0 H VAL A 108 1.037 -5.199 -9.836 1.00 0.49 H new ATOM 0 HA VAL A 108 -1.279 -3.612 -10.091 1.00 0.49 H new ATOM 0 HB VAL A 108 0.862 -3.562 -7.944 1.00 0.50 H new ATOM 0 HG11 VAL A 108 -0.948 -2.759 -6.476 1.00 0.53 H new ATOM 0 HG12 VAL A 108 -0.631 -1.634 -7.819 1.00 0.53 H new ATOM 0 HG13 VAL A 108 -2.049 -2.708 -7.874 1.00 0.53 H new ATOM 0 HG21 VAL A 108 -0.598 -5.169 -6.757 1.00 0.53 H new ATOM 0 HG22 VAL A 108 -1.676 -5.221 -8.173 1.00 0.53 H new ATOM 0 HG23 VAL A 108 -0.008 -5.827 -8.302 1.00 0.53 H new ATOM 1610 N MET A 109 1.613 -2.034 -10.282 1.00 0.47 N ATOM 1611 CA MET A 109 2.255 -0.777 -10.666 1.00 0.49 C ATOM 1612 C MET A 109 1.733 -0.284 -12.022 1.00 0.50 C ATOM 1613 O MET A 109 1.522 0.914 -12.226 1.00 0.52 O ATOM 1614 CB MET A 109 3.774 -0.965 -10.727 1.00 0.50 C ATOM 1615 CG MET A 109 4.542 -0.124 -9.718 1.00 0.62 C ATOM 1616 SD MET A 109 4.302 -0.671 -8.017 1.00 0.80 S ATOM 1617 CE MET A 109 3.305 0.666 -7.361 1.00 0.86 C ATOM 0 H MET A 109 2.265 -2.797 -10.098 1.00 0.47 H new ATOM 0 HA MET A 109 2.013 -0.026 -9.914 1.00 0.49 H new ATOM 0 HB2 MET A 109 4.007 -2.017 -10.560 1.00 0.50 H new ATOM 0 HB3 MET A 109 4.121 -0.717 -11.730 1.00 0.50 H new ATOM 0 HG2 MET A 109 5.605 -0.159 -9.958 1.00 0.62 H new ATOM 0 HG3 MET A 109 4.229 0.916 -9.807 1.00 0.62 H new ATOM 0 HE1 MET A 109 2.556 0.261 -6.680 1.00 0.86 H new ATOM 0 HE2 MET A 109 3.944 1.366 -6.823 1.00 0.86 H new ATOM 0 HE3 MET A 109 2.808 1.185 -8.180 1.00 0.86 H new ATOM 1627 N THR A 110 1.506 -1.222 -12.935 1.00 0.50 N ATOM 1628 CA THR A 110 1.009 -0.898 -14.268 1.00 0.54 C ATOM 1629 C THR A 110 -0.506 -0.676 -14.244 1.00 0.53 C ATOM 1630 O THR A 110 -1.061 0.093 -15.033 1.00 0.54 O ATOM 1631 CB THR A 110 1.346 -2.033 -15.256 1.00 0.58 C ATOM 1632 OG1 THR A 110 2.678 -2.519 -15.009 1.00 0.59 O ATOM 1633 CG2 THR A 110 1.245 -1.559 -16.700 1.00 0.67 C ATOM 0 H THR A 110 1.659 -2.218 -12.775 1.00 0.50 H new ATOM 0 HA THR A 110 1.495 0.021 -14.594 1.00 0.54 H new ATOM 0 HB THR A 110 0.623 -2.834 -15.103 1.00 0.58 H new ATOM 0 HG1 THR A 110 2.675 -3.090 -14.213 1.00 0.59 H new ATOM 0 HG21 THR A 110 1.489 -2.383 -17.371 1.00 0.67 H new ATOM 0 HG22 THR A 110 0.230 -1.216 -16.900 1.00 0.67 H new ATOM 0 HG23 THR A 110 1.944 -0.739 -16.863 1.00 0.67 H new ATOM 1641 N ASN A 111 -1.160 -1.347 -13.309 1.00 0.53 N ATOM 1642 CA ASN A 111 -2.605 -1.258 -13.149 1.00 0.56 C ATOM 1643 C ASN A 111 -3.012 0.104 -12.599 1.00 0.55 C ATOM 1644 O ASN A 111 -3.976 0.712 -13.064 1.00 0.58 O ATOM 1645 CB ASN A 111 -3.095 -2.365 -12.218 1.00 0.58 C ATOM 1646 CG ASN A 111 -3.982 -3.361 -12.927 1.00 0.65 C ATOM 1647 OD1 ASN A 111 -5.200 -3.207 -12.979 1.00 0.86 O ATOM 1648 ND2 ASN A 111 -3.373 -4.392 -13.483 1.00 0.88 N ATOM 0 H ASN A 111 -0.706 -1.968 -12.640 1.00 0.53 H new ATOM 0 HA ASN A 111 -3.065 -1.381 -14.129 1.00 0.56 H new ATOM 0 HB2 ASN A 111 -2.237 -2.885 -11.793 1.00 0.58 H new ATOM 0 HB3 ASN A 111 -3.643 -1.921 -11.387 1.00 0.58 H new ATOM 0 HD21 ASN A 111 -3.916 -5.098 -13.979 1.00 0.88 H new ATOM 0 HD22 ASN A 111 -2.359 -4.482 -13.416 1.00 0.88 H new ATOM 1655 N LEU A 112 -2.273 0.580 -11.604 1.00 0.54 N ATOM 1656 CA LEU A 112 -2.543 1.879 -11.001 1.00 0.57 C ATOM 1657 C LEU A 112 -2.195 2.995 -11.980 1.00 0.61 C ATOM 1658 O LEU A 112 -2.830 4.048 -11.997 1.00 0.68 O ATOM 1659 CB LEU A 112 -1.729 2.057 -9.721 1.00 0.59 C ATOM 1660 CG LEU A 112 -1.872 0.949 -8.678 1.00 0.58 C ATOM 1661 CD1 LEU A 112 -0.724 1.026 -7.694 1.00 0.93 C ATOM 1662 CD2 LEU A 112 -3.209 1.046 -7.950 1.00 0.63 C ATOM 0 H LEU A 112 -1.480 0.084 -11.197 1.00 0.54 H new ATOM 0 HA LEU A 112 -3.604 1.927 -10.757 1.00 0.57 H new ATOM 0 HB2 LEU A 112 -0.676 2.141 -9.992 1.00 0.59 H new ATOM 0 HB3 LEU A 112 -2.016 3.002 -9.260 1.00 0.59 H new ATOM 0 HG LEU A 112 -1.844 -0.014 -9.188 1.00 0.58 H new ATOM 0 HD11 LEU A 112 -0.828 0.235 -6.951 1.00 0.93 H new ATOM 0 HD12 LEU A 112 0.220 0.903 -8.225 1.00 0.93 H new ATOM 0 HD13 LEU A 112 -0.736 1.995 -7.196 1.00 0.93 H new ATOM 0 HD21 LEU A 112 -3.282 0.245 -7.214 1.00 0.63 H new ATOM 0 HD22 LEU A 112 -3.279 2.010 -7.445 1.00 0.63 H new ATOM 0 HD23 LEU A 112 -4.023 0.953 -8.669 1.00 0.63 H new ATOM 1674 N GLY A 113 -1.171 2.756 -12.789 1.00 0.67 N ATOM 1675 CA GLY A 113 -0.753 3.738 -13.765 1.00 0.75 C ATOM 1676 C GLY A 113 0.197 4.765 -13.187 1.00 0.77 C ATOM 1677 O GLY A 113 0.043 5.967 -13.416 1.00 0.89 O ATOM 0 H GLY A 113 -0.622 1.896 -12.785 1.00 0.67 H new ATOM 0 HA2 GLY A 113 -0.270 3.232 -14.601 1.00 0.75 H new ATOM 0 HA3 GLY A 113 -1.631 4.245 -14.164 1.00 0.75 H new ATOM 1681 N GLU A 114 1.186 4.296 -12.443 1.00 0.72 N ATOM 1682 CA GLU A 114 2.165 5.184 -11.838 1.00 0.79 C ATOM 1683 C GLU A 114 3.257 5.529 -12.841 1.00 0.79 C ATOM 1684 O GLU A 114 3.240 5.071 -13.985 1.00 0.83 O ATOM 1685 CB GLU A 114 2.785 4.548 -10.588 1.00 0.84 C ATOM 1686 CG GLU A 114 2.289 5.142 -9.272 1.00 0.95 C ATOM 1687 CD GLU A 114 3.046 6.390 -8.859 1.00 1.07 C ATOM 1688 OE1 GLU A 114 3.494 7.140 -9.751 1.00 1.55 O ATOM 1689 OE2 GLU A 114 3.193 6.627 -7.640 1.00 1.61 O ATOM 0 H GLU A 114 1.332 3.306 -12.244 1.00 0.72 H new ATOM 0 HA GLU A 114 1.652 6.099 -11.541 1.00 0.79 H new ATOM 0 HB2 GLU A 114 2.572 3.479 -10.594 1.00 0.84 H new ATOM 0 HB3 GLU A 114 3.868 4.657 -10.638 1.00 0.84 H new ATOM 0 HG2 GLU A 114 1.230 5.381 -9.365 1.00 0.95 H new ATOM 0 HG3 GLU A 114 2.379 4.393 -8.485 1.00 0.95 H new ATOM 1696 N LYS A 115 4.211 6.315 -12.388 1.00 0.77 N ATOM 1697 CA LYS A 115 5.320 6.753 -13.221 1.00 0.80 C ATOM 1698 C LYS A 115 6.542 5.862 -13.011 1.00 0.82 C ATOM 1699 O LYS A 115 7.680 6.327 -13.071 1.00 1.18 O ATOM 1700 CB LYS A 115 5.663 8.197 -12.859 1.00 0.84 C ATOM 1701 CG LYS A 115 4.462 8.999 -12.385 1.00 0.91 C ATOM 1702 CD LYS A 115 4.773 9.727 -11.090 1.00 1.07 C ATOM 1703 CE LYS A 115 3.566 10.481 -10.565 1.00 1.17 C ATOM 1704 NZ LYS A 115 2.447 9.572 -10.206 1.00 1.02 N ATOM 0 H LYS A 115 4.243 6.670 -11.432 1.00 0.77 H new ATOM 0 HA LYS A 115 5.030 6.686 -14.269 1.00 0.80 H new ATOM 0 HB2 LYS A 115 6.423 8.198 -12.078 1.00 0.84 H new ATOM 0 HB3 LYS A 115 6.099 8.689 -13.729 1.00 0.84 H new ATOM 0 HG2 LYS A 115 4.175 9.719 -13.152 1.00 0.91 H new ATOM 0 HG3 LYS A 115 3.611 8.334 -12.238 1.00 0.91 H new ATOM 0 HD2 LYS A 115 5.108 9.010 -10.341 1.00 1.07 H new ATOM 0 HD3 LYS A 115 5.595 10.424 -11.253 1.00 1.07 H new ATOM 0 HE2 LYS A 115 3.855 11.061 -9.689 1.00 1.17 H new ATOM 0 HE3 LYS A 115 3.227 11.191 -11.320 1.00 1.17 H new ATOM 0 HZ1 LYS A 115 1.913 9.976 -9.410 1.00 1.02 H new ATOM 0 HZ2 LYS A 115 1.815 9.459 -11.024 1.00 1.02 H new ATOM 0 HZ3 LYS A 115 2.828 8.644 -9.932 1.00 1.02 H new ATOM 1718 N LEU A 116 6.307 4.580 -12.781 1.00 0.64 N ATOM 1719 CA LEU A 116 7.400 3.646 -12.540 1.00 0.65 C ATOM 1720 C LEU A 116 7.433 2.541 -13.584 1.00 0.65 C ATOM 1721 O LEU A 116 6.468 1.795 -13.748 1.00 0.68 O ATOM 1722 CB LEU A 116 7.295 3.031 -11.141 1.00 0.70 C ATOM 1723 CG LEU A 116 7.833 3.912 -10.012 1.00 0.93 C ATOM 1724 CD1 LEU A 116 6.809 4.965 -9.629 1.00 1.27 C ATOM 1725 CD2 LEU A 116 8.221 3.076 -8.799 1.00 0.93 C ATOM 0 H LEU A 116 5.377 4.163 -12.756 1.00 0.64 H new ATOM 0 HA LEU A 116 8.328 4.214 -12.611 1.00 0.65 H new ATOM 0 HB2 LEU A 116 6.249 2.802 -10.937 1.00 0.70 H new ATOM 0 HB3 LEU A 116 7.836 2.085 -11.134 1.00 0.70 H new ATOM 0 HG LEU A 116 8.731 4.413 -10.373 1.00 0.93 H new ATOM 0 HD11 LEU A 116 7.207 5.584 -8.825 1.00 1.27 H new ATOM 0 HD12 LEU A 116 6.590 5.591 -10.494 1.00 1.27 H new ATOM 0 HD13 LEU A 116 5.894 4.477 -9.293 1.00 1.27 H new ATOM 0 HD21 LEU A 116 8.600 3.729 -8.013 1.00 0.93 H new ATOM 0 HD22 LEU A 116 7.347 2.538 -8.433 1.00 0.93 H new ATOM 0 HD23 LEU A 116 8.995 2.362 -9.082 1.00 0.93 H new ATOM 1737 N THR A 117 8.549 2.452 -14.293 1.00 0.70 N ATOM 1738 CA THR A 117 8.734 1.430 -15.306 1.00 0.73 C ATOM 1739 C THR A 117 9.342 0.169 -14.680 1.00 0.71 C ATOM 1740 O THR A 117 9.453 0.071 -13.453 1.00 0.69 O ATOM 1741 CB THR A 117 9.627 1.951 -16.449 1.00 0.81 C ATOM 1742 OG1 THR A 117 10.693 2.748 -15.915 1.00 0.93 O ATOM 1743 CG2 THR A 117 8.815 2.774 -17.439 1.00 1.04 C ATOM 0 H THR A 117 9.344 3.082 -14.182 1.00 0.70 H new ATOM 0 HA THR A 117 7.760 1.177 -15.725 1.00 0.73 H new ATOM 0 HB THR A 117 10.045 1.092 -16.974 1.00 0.81 H new ATOM 0 HG1 THR A 117 11.257 3.074 -16.648 1.00 0.93 H new ATOM 0 HG21 THR A 117 9.467 3.131 -18.236 1.00 1.04 H new ATOM 0 HG22 THR A 117 8.025 2.155 -17.865 1.00 1.04 H new ATOM 0 HG23 THR A 117 8.370 3.626 -16.925 1.00 1.04 H new ATOM 1751 N ASP A 118 9.747 -0.780 -15.517 1.00 0.73 N ATOM 1752 CA ASP A 118 10.320 -2.047 -15.051 1.00 0.74 C ATOM 1753 C ASP A 118 11.508 -1.836 -14.110 1.00 0.73 C ATOM 1754 O ASP A 118 11.498 -2.314 -12.975 1.00 0.74 O ATOM 1755 CB ASP A 118 10.750 -2.900 -16.244 1.00 0.79 C ATOM 1756 CG ASP A 118 11.696 -4.022 -15.853 1.00 0.97 C ATOM 1757 OD1 ASP A 118 11.300 -4.891 -15.050 1.00 1.20 O ATOM 1758 OD2 ASP A 118 12.843 -4.036 -16.349 1.00 1.38 O ATOM 0 H ASP A 118 9.690 -0.698 -16.532 1.00 0.73 H new ATOM 0 HA ASP A 118 9.543 -2.564 -14.488 1.00 0.74 H new ATOM 0 HB2 ASP A 118 9.866 -3.325 -16.719 1.00 0.79 H new ATOM 0 HB3 ASP A 118 11.234 -2.264 -16.984 1.00 0.79 H new ATOM 1763 N GLU A 119 12.519 -1.118 -14.589 1.00 0.72 N ATOM 1764 CA GLU A 119 13.723 -0.837 -13.804 1.00 0.73 C ATOM 1765 C GLU A 119 13.376 -0.147 -12.483 1.00 0.70 C ATOM 1766 O GLU A 119 14.096 -0.271 -11.496 1.00 0.71 O ATOM 1767 CB GLU A 119 14.675 0.043 -14.618 1.00 0.78 C ATOM 1768 CG GLU A 119 15.229 -0.644 -15.855 1.00 1.15 C ATOM 1769 CD GLU A 119 15.687 0.336 -16.908 1.00 1.69 C ATOM 1770 OE1 GLU A 119 15.047 1.398 -17.055 1.00 2.18 O ATOM 1771 OE2 GLU A 119 16.684 0.045 -17.600 1.00 2.33 O ATOM 0 H GLU A 119 12.530 -0.715 -15.526 1.00 0.72 H new ATOM 0 HA GLU A 119 14.208 -1.785 -13.572 1.00 0.73 H new ATOM 0 HB2 GLU A 119 14.150 0.949 -14.920 1.00 0.78 H new ATOM 0 HB3 GLU A 119 15.504 0.352 -13.982 1.00 0.78 H new ATOM 0 HG2 GLU A 119 16.066 -1.281 -15.568 1.00 1.15 H new ATOM 0 HG3 GLU A 119 14.464 -1.295 -16.278 1.00 1.15 H new ATOM 1778 N GLU A 120 12.252 0.556 -12.467 1.00 0.70 N ATOM 1779 CA GLU A 120 11.809 1.267 -11.274 1.00 0.69 C ATOM 1780 C GLU A 120 11.235 0.290 -10.252 1.00 0.67 C ATOM 1781 O GLU A 120 11.573 0.355 -9.073 1.00 0.68 O ATOM 1782 CB GLU A 120 10.772 2.321 -11.638 1.00 0.72 C ATOM 1783 CG GLU A 120 11.324 3.426 -12.522 1.00 0.85 C ATOM 1784 CD GLU A 120 12.356 4.283 -11.824 1.00 1.09 C ATOM 1785 OE1 GLU A 120 12.115 4.701 -10.673 1.00 1.86 O ATOM 1786 OE2 GLU A 120 13.417 4.544 -12.433 1.00 1.33 O ATOM 0 H GLU A 120 11.628 0.650 -13.269 1.00 0.70 H new ATOM 0 HA GLU A 120 12.671 1.766 -10.830 1.00 0.69 H new ATOM 0 HB2 GLU A 120 9.938 1.839 -12.148 1.00 0.72 H new ATOM 0 HB3 GLU A 120 10.375 2.761 -10.723 1.00 0.72 H new ATOM 0 HG2 GLU A 120 11.770 2.982 -13.412 1.00 0.85 H new ATOM 0 HG3 GLU A 120 10.503 4.058 -12.859 1.00 0.85 H new ATOM 1793 N VAL A 121 10.363 -0.609 -10.708 1.00 0.66 N ATOM 1794 CA VAL A 121 9.774 -1.624 -9.837 1.00 0.66 C ATOM 1795 C VAL A 121 10.883 -2.428 -9.181 1.00 0.64 C ATOM 1796 O VAL A 121 10.862 -2.689 -7.978 1.00 0.63 O ATOM 1797 CB VAL A 121 8.858 -2.585 -10.619 1.00 0.70 C ATOM 1798 CG1 VAL A 121 8.227 -3.612 -9.687 1.00 0.71 C ATOM 1799 CG2 VAL A 121 7.795 -1.811 -11.377 1.00 0.76 C ATOM 0 H VAL A 121 10.049 -0.654 -11.677 1.00 0.66 H new ATOM 0 HA VAL A 121 9.172 -1.112 -9.087 1.00 0.66 H new ATOM 0 HB VAL A 121 9.467 -3.123 -11.345 1.00 0.70 H new ATOM 0 HG11 VAL A 121 7.585 -4.279 -10.262 1.00 0.71 H new ATOM 0 HG12 VAL A 121 9.011 -4.193 -9.201 1.00 0.71 H new ATOM 0 HG13 VAL A 121 7.633 -3.100 -8.930 1.00 0.71 H new ATOM 0 HG21 VAL A 121 7.158 -2.507 -11.923 1.00 0.76 H new ATOM 0 HG22 VAL A 121 7.189 -1.240 -10.673 1.00 0.76 H new ATOM 0 HG23 VAL A 121 8.273 -1.129 -12.080 1.00 0.76 H new ATOM 1809 N ASP A 122 11.866 -2.785 -9.990 1.00 0.65 N ATOM 1810 CA ASP A 122 13.015 -3.545 -9.522 1.00 0.66 C ATOM 1811 C ASP A 122 13.804 -2.742 -8.486 1.00 0.65 C ATOM 1812 O ASP A 122 14.175 -3.258 -7.432 1.00 0.66 O ATOM 1813 CB ASP A 122 13.920 -3.904 -10.712 1.00 0.71 C ATOM 1814 CG ASP A 122 15.332 -4.259 -10.287 1.00 0.81 C ATOM 1815 OD1 ASP A 122 15.567 -5.415 -9.892 1.00 0.89 O ATOM 1816 OD2 ASP A 122 16.220 -3.381 -10.350 1.00 0.96 O ATOM 0 H ASP A 122 11.892 -2.558 -10.984 1.00 0.65 H new ATOM 0 HA ASP A 122 12.661 -4.462 -9.051 1.00 0.66 H new ATOM 0 HB2 ASP A 122 13.486 -4.745 -11.253 1.00 0.71 H new ATOM 0 HB3 ASP A 122 13.954 -3.063 -11.404 1.00 0.71 H new ATOM 1821 N GLU A 123 14.032 -1.469 -8.791 1.00 0.66 N ATOM 1822 CA GLU A 123 14.775 -0.580 -7.902 1.00 0.68 C ATOM 1823 C GLU A 123 14.040 -0.389 -6.578 1.00 0.66 C ATOM 1824 O GLU A 123 14.643 -0.458 -5.507 1.00 0.66 O ATOM 1825 CB GLU A 123 14.998 0.778 -8.573 1.00 0.75 C ATOM 1826 CG GLU A 123 15.922 1.708 -7.798 1.00 0.86 C ATOM 1827 CD GLU A 123 17.313 1.139 -7.613 1.00 0.91 C ATOM 1828 OE1 GLU A 123 17.982 0.845 -8.625 1.00 1.13 O ATOM 1829 OE2 GLU A 123 17.753 0.993 -6.456 1.00 1.20 O ATOM 0 H GLU A 123 13.711 -1.027 -9.652 1.00 0.66 H new ATOM 0 HA GLU A 123 15.741 -1.041 -7.697 1.00 0.68 H new ATOM 0 HB2 GLU A 123 15.413 0.616 -9.568 1.00 0.75 H new ATOM 0 HB3 GLU A 123 14.034 1.269 -8.706 1.00 0.75 H new ATOM 0 HG2 GLU A 123 15.992 2.661 -8.322 1.00 0.86 H new ATOM 0 HG3 GLU A 123 15.486 1.913 -6.820 1.00 0.86 H new ATOM 1836 N MET A 124 12.734 -0.171 -6.664 1.00 0.67 N ATOM 1837 CA MET A 124 11.910 0.045 -5.484 1.00 0.69 C ATOM 1838 C MET A 124 11.902 -1.176 -4.578 1.00 0.69 C ATOM 1839 O MET A 124 12.101 -1.057 -3.381 1.00 0.76 O ATOM 1840 CB MET A 124 10.477 0.385 -5.888 1.00 0.72 C ATOM 1841 CG MET A 124 9.534 0.510 -4.703 1.00 0.64 C ATOM 1842 SD MET A 124 7.982 1.322 -5.122 1.00 0.61 S ATOM 1843 CE MET A 124 7.076 1.055 -3.602 1.00 0.68 C ATOM 0 H MET A 124 12.221 -0.139 -7.545 1.00 0.67 H new ATOM 0 HA MET A 124 12.343 0.881 -4.934 1.00 0.69 H new ATOM 0 HB2 MET A 124 10.476 1.322 -6.445 1.00 0.72 H new ATOM 0 HB3 MET A 124 10.104 -0.387 -6.561 1.00 0.72 H new ATOM 0 HG2 MET A 124 9.323 -0.483 -4.307 1.00 0.64 H new ATOM 0 HG3 MET A 124 10.028 1.071 -3.910 1.00 0.64 H new ATOM 0 HE1 MET A 124 6.159 1.644 -3.617 1.00 0.68 H new ATOM 0 HE2 MET A 124 6.827 -0.002 -3.508 1.00 0.68 H new ATOM 0 HE3 MET A 124 7.690 1.360 -2.754 1.00 0.68 H new ATOM 1853 N ILE A 125 11.725 -2.353 -5.178 1.00 0.65 N ATOM 1854 CA ILE A 125 11.655 -3.621 -4.448 1.00 0.68 C ATOM 1855 C ILE A 125 12.794 -3.811 -3.435 1.00 0.66 C ATOM 1856 O ILE A 125 12.627 -4.501 -2.427 1.00 0.64 O ATOM 1857 CB ILE A 125 11.618 -4.803 -5.456 1.00 0.71 C ATOM 1858 CG1 ILE A 125 10.168 -5.252 -5.702 1.00 0.71 C ATOM 1859 CG2 ILE A 125 12.470 -5.985 -5.000 1.00 0.90 C ATOM 1860 CD1 ILE A 125 9.480 -5.833 -4.482 1.00 0.92 C ATOM 0 H ILE A 125 11.626 -2.455 -6.188 1.00 0.65 H new ATOM 0 HA ILE A 125 10.736 -3.599 -3.863 1.00 0.68 H new ATOM 0 HB ILE A 125 12.046 -4.440 -6.390 1.00 0.71 H new ATOM 0 HG12 ILE A 125 9.591 -4.399 -6.058 1.00 0.71 H new ATOM 0 HG13 ILE A 125 10.160 -5.996 -6.498 1.00 0.71 H new ATOM 0 HG21 ILE A 125 12.410 -6.784 -5.739 1.00 0.90 H new ATOM 0 HG22 ILE A 125 13.507 -5.666 -4.894 1.00 0.90 H new ATOM 0 HG23 ILE A 125 12.102 -6.350 -4.041 1.00 0.90 H new ATOM 0 HD11 ILE A 125 8.462 -6.124 -4.742 1.00 0.92 H new ATOM 0 HD12 ILE A 125 10.030 -6.708 -4.136 1.00 0.92 H new ATOM 0 HD13 ILE A 125 9.452 -5.085 -3.689 1.00 0.92 H new ATOM 1872 N ARG A 126 13.925 -3.171 -3.670 1.00 0.73 N ATOM 1873 CA ARG A 126 15.065 -3.316 -2.774 1.00 0.77 C ATOM 1874 C ARG A 126 15.051 -2.273 -1.650 1.00 0.77 C ATOM 1875 O ARG A 126 16.098 -1.953 -1.078 1.00 0.87 O ATOM 1876 CB ARG A 126 16.373 -3.247 -3.567 1.00 0.81 C ATOM 1877 CG ARG A 126 16.619 -4.484 -4.417 1.00 0.93 C ATOM 1878 CD ARG A 126 17.816 -4.314 -5.337 1.00 0.94 C ATOM 1879 NE ARG A 126 17.450 -3.719 -6.628 1.00 0.90 N ATOM 1880 CZ ARG A 126 17.868 -2.523 -7.048 1.00 0.83 C ATOM 1881 NH1 ARG A 126 18.599 -1.753 -6.253 1.00 0.81 N ATOM 1882 NH2 ARG A 126 17.546 -2.091 -8.263 1.00 0.89 N ATOM 0 H ARG A 126 14.081 -2.551 -4.465 1.00 0.73 H new ATOM 0 HA ARG A 126 14.990 -4.295 -2.300 1.00 0.77 H new ATOM 0 HB2 ARG A 126 16.355 -2.368 -4.211 1.00 0.81 H new ATOM 0 HB3 ARG A 126 17.205 -3.117 -2.875 1.00 0.81 H new ATOM 0 HG2 ARG A 126 16.781 -5.344 -3.767 1.00 0.93 H new ATOM 0 HG3 ARG A 126 15.731 -4.697 -5.013 1.00 0.93 H new ATOM 0 HD2 ARG A 126 18.560 -3.685 -4.848 1.00 0.94 H new ATOM 0 HD3 ARG A 126 18.281 -5.285 -5.506 1.00 0.94 H new ATOM 0 HE ARG A 126 16.837 -4.254 -7.243 1.00 0.90 H new ATOM 0 HH11 ARG A 126 18.844 -2.074 -5.316 1.00 0.81 H new ATOM 0 HH12 ARG A 126 18.916 -0.840 -6.578 1.00 0.81 H new ATOM 0 HH21 ARG A 126 16.978 -2.674 -8.878 1.00 0.89 H new ATOM 0 HH22 ARG A 126 17.867 -1.177 -8.581 1.00 0.89 H new ATOM 1896 N GLU A 127 13.870 -1.749 -1.327 1.00 0.76 N ATOM 1897 CA GLU A 127 13.739 -0.765 -0.256 1.00 0.77 C ATOM 1898 C GLU A 127 13.427 -1.472 1.065 1.00 0.74 C ATOM 1899 O GLU A 127 13.997 -1.150 2.112 1.00 0.75 O ATOM 1900 CB GLU A 127 12.665 0.290 -0.594 1.00 0.88 C ATOM 1901 CG GLU A 127 11.259 -0.023 -0.091 1.00 0.97 C ATOM 1902 CD GLU A 127 10.474 -0.921 -1.021 1.00 1.39 C ATOM 1903 OE1 GLU A 127 10.670 -2.156 -0.961 1.00 2.04 O ATOM 1904 OE2 GLU A 127 9.671 -0.394 -1.813 1.00 1.87 O ATOM 0 H GLU A 127 12.993 -1.989 -1.790 1.00 0.76 H new ATOM 0 HA GLU A 127 14.686 -0.236 -0.152 1.00 0.77 H new ATOM 0 HB2 GLU A 127 12.977 1.248 -0.177 1.00 0.88 H new ATOM 0 HB3 GLU A 127 12.627 0.411 -1.677 1.00 0.88 H new ATOM 0 HG2 GLU A 127 11.329 -0.498 0.888 1.00 0.97 H new ATOM 0 HG3 GLU A 127 10.714 0.911 0.046 1.00 0.97 H new ATOM 1911 N ALA A 128 12.525 -2.445 1.005 1.00 0.78 N ATOM 1912 CA ALA A 128 12.140 -3.207 2.177 1.00 0.82 C ATOM 1913 C ALA A 128 12.792 -4.580 2.163 1.00 0.74 C ATOM 1914 O ALA A 128 12.791 -5.291 3.166 1.00 0.76 O ATOM 1915 CB ALA A 128 10.628 -3.343 2.243 1.00 0.96 C ATOM 0 H ALA A 128 12.046 -2.723 0.148 1.00 0.78 H new ATOM 0 HA ALA A 128 12.484 -2.672 3.063 1.00 0.82 H new ATOM 0 HB1 ALA A 128 10.353 -3.917 3.128 1.00 0.96 H new ATOM 0 HB2 ALA A 128 10.176 -2.353 2.298 1.00 0.96 H new ATOM 0 HB3 ALA A 128 10.270 -3.857 1.351 1.00 0.96 H new ATOM 1921 N ASP A 129 13.352 -4.940 1.020 1.00 0.71 N ATOM 1922 CA ASP A 129 14.005 -6.233 0.856 1.00 0.68 C ATOM 1923 C ASP A 129 15.394 -6.221 1.492 1.00 0.71 C ATOM 1924 O ASP A 129 16.392 -5.918 0.837 1.00 0.78 O ATOM 1925 CB ASP A 129 14.096 -6.577 -0.627 1.00 0.69 C ATOM 1926 CG ASP A 129 14.279 -8.052 -0.871 1.00 0.71 C ATOM 1927 OD1 ASP A 129 13.538 -8.855 -0.263 1.00 0.87 O ATOM 1928 OD2 ASP A 129 15.158 -8.416 -1.677 1.00 0.76 O ATOM 0 H ASP A 129 13.369 -4.353 0.186 1.00 0.71 H new ATOM 0 HA ASP A 129 13.412 -6.995 1.361 1.00 0.68 H new ATOM 0 HB2 ASP A 129 13.190 -6.239 -1.130 1.00 0.69 H new ATOM 0 HB3 ASP A 129 14.929 -6.033 -1.072 1.00 0.69 H new ATOM 1933 N ILE A 130 15.446 -6.567 2.775 1.00 0.74 N ATOM 1934 CA ILE A 130 16.694 -6.564 3.537 1.00 0.81 C ATOM 1935 C ILE A 130 17.532 -7.814 3.286 1.00 0.84 C ATOM 1936 O ILE A 130 18.758 -7.782 3.394 1.00 0.92 O ATOM 1937 CB ILE A 130 16.407 -6.438 5.055 1.00 0.88 C ATOM 1938 CG1 ILE A 130 15.421 -5.296 5.327 1.00 0.86 C ATOM 1939 CG2 ILE A 130 17.693 -6.218 5.843 1.00 1.01 C ATOM 1940 CD1 ILE A 130 15.860 -3.956 4.764 1.00 0.88 C ATOM 0 H ILE A 130 14.630 -6.856 3.315 1.00 0.74 H new ATOM 0 HA ILE A 130 17.265 -5.701 3.194 1.00 0.81 H new ATOM 0 HB ILE A 130 15.959 -7.375 5.386 1.00 0.88 H new ATOM 0 HG12 ILE A 130 14.452 -5.557 4.902 1.00 0.86 H new ATOM 0 HG13 ILE A 130 15.281 -5.198 6.404 1.00 0.86 H new ATOM 0 HG21 ILE A 130 17.459 -6.133 6.904 1.00 1.01 H new ATOM 0 HG22 ILE A 130 18.365 -7.062 5.685 1.00 1.01 H new ATOM 0 HG23 ILE A 130 18.175 -5.301 5.504 1.00 1.01 H new ATOM 0 HD11 ILE A 130 15.110 -3.200 4.998 1.00 0.88 H new ATOM 0 HD12 ILE A 130 16.814 -3.670 5.207 1.00 0.88 H new ATOM 0 HD13 ILE A 130 15.971 -4.035 3.683 1.00 0.88 H new ATOM 1952 N ASP A 131 16.883 -8.913 2.946 1.00 0.83 N ATOM 1953 CA ASP A 131 17.591 -10.169 2.705 1.00 0.87 C ATOM 1954 C ASP A 131 18.124 -10.245 1.277 1.00 0.89 C ATOM 1955 O ASP A 131 18.929 -11.120 0.955 1.00 0.98 O ATOM 1956 CB ASP A 131 16.685 -11.374 2.991 1.00 0.88 C ATOM 1957 CG ASP A 131 15.350 -11.292 2.281 1.00 0.84 C ATOM 1958 OD1 ASP A 131 15.236 -10.560 1.285 1.00 1.02 O ATOM 1959 OD2 ASP A 131 14.391 -11.946 2.720 1.00 0.88 O ATOM 0 H ASP A 131 15.871 -8.967 2.829 1.00 0.83 H new ATOM 0 HA ASP A 131 18.440 -10.197 3.389 1.00 0.87 H new ATOM 0 HB2 ASP A 131 17.197 -12.287 2.686 1.00 0.88 H new ATOM 0 HB3 ASP A 131 16.515 -11.447 4.065 1.00 0.88 H new ATOM 1964 N GLY A 132 17.666 -9.331 0.429 1.00 0.87 N ATOM 1965 CA GLY A 132 18.107 -9.311 -0.948 1.00 0.92 C ATOM 1966 C GLY A 132 17.648 -10.532 -1.719 1.00 0.92 C ATOM 1967 O GLY A 132 18.423 -11.123 -2.471 1.00 0.94 O ATOM 0 H GLY A 132 16.995 -8.603 0.674 1.00 0.87 H new ATOM 0 HA2 GLY A 132 17.727 -8.413 -1.435 1.00 0.92 H new ATOM 0 HA3 GLY A 132 19.195 -9.254 -0.977 1.00 0.92 H new ATOM 1971 N ASP A 133 16.399 -10.938 -1.518 1.00 0.94 N ATOM 1972 CA ASP A 133 15.871 -12.100 -2.218 1.00 0.94 C ATOM 1973 C ASP A 133 14.874 -11.689 -3.294 1.00 0.89 C ATOM 1974 O ASP A 133 14.547 -12.480 -4.173 1.00 0.95 O ATOM 1975 CB ASP A 133 15.245 -13.109 -1.243 1.00 0.91 C ATOM 1976 CG ASP A 133 13.779 -12.858 -0.954 1.00 0.84 C ATOM 1977 OD1 ASP A 133 13.412 -11.707 -0.653 1.00 0.79 O ATOM 1978 OD2 ASP A 133 12.991 -13.821 -1.008 1.00 0.95 O ATOM 0 H ASP A 133 15.741 -10.485 -0.884 1.00 0.94 H new ATOM 0 HA ASP A 133 16.710 -12.593 -2.709 1.00 0.94 H new ATOM 0 HB2 ASP A 133 15.357 -14.113 -1.653 1.00 0.91 H new ATOM 0 HB3 ASP A 133 15.799 -13.084 -0.305 1.00 0.91 H new ATOM 1983 N GLY A 134 14.404 -10.451 -3.241 1.00 0.84 N ATOM 1984 CA GLY A 134 13.459 -9.982 -4.238 1.00 0.84 C ATOM 1985 C GLY A 134 12.009 -10.074 -3.780 1.00 0.74 C ATOM 1986 O GLY A 134 11.104 -9.631 -4.490 1.00 0.78 O ATOM 0 H GLY A 134 14.657 -9.765 -2.530 1.00 0.84 H new ATOM 0 HA2 GLY A 134 13.689 -8.946 -4.489 1.00 0.84 H new ATOM 0 HA3 GLY A 134 13.583 -10.566 -5.150 1.00 0.84 H new ATOM 1990 N GLN A 135 11.779 -10.648 -2.606 1.00 0.69 N ATOM 1991 CA GLN A 135 10.420 -10.788 -2.083 1.00 0.65 C ATOM 1992 C GLN A 135 10.270 -10.088 -0.734 1.00 0.63 C ATOM 1993 O GLN A 135 10.945 -10.432 0.228 1.00 0.73 O ATOM 1994 CB GLN A 135 10.034 -12.263 -1.916 1.00 0.68 C ATOM 1995 CG GLN A 135 10.498 -13.173 -3.041 1.00 0.77 C ATOM 1996 CD GLN A 135 10.137 -14.624 -2.794 1.00 0.88 C ATOM 1997 OE1 GLN A 135 9.065 -15.088 -3.185 1.00 1.26 O ATOM 1998 NE2 GLN A 135 11.024 -15.348 -2.132 1.00 1.23 N ATOM 0 H GLN A 135 12.508 -11.023 -1.999 1.00 0.69 H new ATOM 0 HA GLN A 135 9.756 -10.321 -2.810 1.00 0.65 H new ATOM 0 HB2 GLN A 135 10.449 -12.629 -0.977 1.00 0.68 H new ATOM 0 HB3 GLN A 135 8.949 -12.333 -1.834 1.00 0.68 H new ATOM 0 HG2 GLN A 135 10.051 -12.844 -3.979 1.00 0.77 H new ATOM 0 HG3 GLN A 135 11.578 -13.084 -3.155 1.00 0.77 H new ATOM 0 HE21 GLN A 135 11.900 -14.926 -1.826 1.00 1.23 H new ATOM 0 HE22 GLN A 135 10.832 -16.329 -1.928 1.00 1.23 H new ATOM 2007 N VAL A 136 9.374 -9.116 -0.670 1.00 0.60 N ATOM 2008 CA VAL A 136 9.115 -8.383 0.561 1.00 0.59 C ATOM 2009 C VAL A 136 8.074 -9.136 1.381 1.00 0.58 C ATOM 2010 O VAL A 136 6.895 -9.182 1.017 1.00 0.61 O ATOM 2011 CB VAL A 136 8.608 -6.948 0.271 1.00 0.60 C ATOM 2012 CG1 VAL A 136 8.299 -6.193 1.559 1.00 0.59 C ATOM 2013 CG2 VAL A 136 9.623 -6.178 -0.561 1.00 0.69 C ATOM 0 H VAL A 136 8.809 -8.814 -1.463 1.00 0.60 H new ATOM 0 HA VAL A 136 10.049 -8.303 1.116 1.00 0.59 H new ATOM 0 HB VAL A 136 7.682 -7.036 -0.297 1.00 0.60 H new ATOM 0 HG11 VAL A 136 7.946 -5.190 1.317 1.00 0.59 H new ATOM 0 HG12 VAL A 136 7.528 -6.725 2.116 1.00 0.59 H new ATOM 0 HG13 VAL A 136 9.202 -6.123 2.165 1.00 0.59 H new ATOM 0 HG21 VAL A 136 9.248 -5.173 -0.754 1.00 0.69 H new ATOM 0 HG22 VAL A 136 10.566 -6.116 -0.018 1.00 0.69 H new ATOM 0 HG23 VAL A 136 9.783 -6.693 -1.508 1.00 0.69 H new ATOM 2023 N ASN A 137 8.513 -9.754 2.466 1.00 0.58 N ATOM 2024 CA ASN A 137 7.612 -10.506 3.320 1.00 0.59 C ATOM 2025 C ASN A 137 6.973 -9.593 4.366 1.00 0.59 C ATOM 2026 O ASN A 137 7.259 -8.396 4.418 1.00 0.59 O ATOM 2027 CB ASN A 137 8.341 -11.705 3.961 1.00 0.61 C ATOM 2028 CG ASN A 137 8.965 -11.413 5.317 1.00 0.63 C ATOM 2029 OD1 ASN A 137 8.329 -11.585 6.356 1.00 0.97 O ATOM 2030 ND2 ASN A 137 10.216 -10.986 5.316 1.00 0.86 N ATOM 0 H ASN A 137 9.485 -9.749 2.774 1.00 0.58 H new ATOM 0 HA ASN A 137 6.805 -10.910 2.709 1.00 0.59 H new ATOM 0 HB2 ASN A 137 7.634 -12.528 4.070 1.00 0.61 H new ATOM 0 HB3 ASN A 137 9.123 -12.044 3.281 1.00 0.61 H new ATOM 0 HD21 ASN A 137 10.688 -10.787 6.198 1.00 0.86 H new ATOM 0 HD22 ASN A 137 10.710 -10.856 4.433 1.00 0.86 H new ATOM 2037 N TYR A 138 6.112 -10.174 5.187 1.00 0.61 N ATOM 2038 CA TYR A 138 5.388 -9.446 6.226 1.00 0.63 C ATOM 2039 C TYR A 138 6.319 -8.635 7.121 1.00 0.63 C ATOM 2040 O TYR A 138 6.079 -7.456 7.378 1.00 0.65 O ATOM 2041 CB TYR A 138 4.599 -10.442 7.070 1.00 0.67 C ATOM 2042 CG TYR A 138 3.276 -9.918 7.572 1.00 0.72 C ATOM 2043 CD1 TYR A 138 2.135 -10.019 6.793 1.00 0.90 C ATOM 2044 CD2 TYR A 138 3.166 -9.344 8.832 1.00 0.89 C ATOM 2045 CE1 TYR A 138 0.913 -9.569 7.252 1.00 1.10 C ATOM 2046 CE2 TYR A 138 1.949 -8.884 9.301 1.00 1.04 C ATOM 2047 CZ TYR A 138 0.824 -9.000 8.507 1.00 1.10 C ATOM 2048 OH TYR A 138 -0.397 -8.562 8.971 1.00 1.35 O ATOM 0 H TYR A 138 5.892 -11.169 5.154 1.00 0.61 H new ATOM 0 HA TYR A 138 4.717 -8.740 5.737 1.00 0.63 H new ATOM 0 HB2 TYR A 138 4.420 -11.340 6.479 1.00 0.67 H new ATOM 0 HB3 TYR A 138 5.207 -10.739 7.925 1.00 0.67 H new ATOM 0 HD1 TYR A 138 2.203 -10.458 5.808 1.00 0.90 H new ATOM 0 HD2 TYR A 138 4.044 -9.256 9.455 1.00 0.89 H new ATOM 0 HE1 TYR A 138 0.033 -9.661 6.633 1.00 1.10 H new ATOM 0 HE2 TYR A 138 1.878 -8.437 10.282 1.00 1.04 H new ATOM 0 HH TYR A 138 -0.290 -8.188 9.871 1.00 1.35 H new ATOM 2058 N GLU A 139 7.388 -9.269 7.572 1.00 0.64 N ATOM 2059 CA GLU A 139 8.352 -8.625 8.454 1.00 0.66 C ATOM 2060 C GLU A 139 9.008 -7.431 7.766 1.00 0.62 C ATOM 2061 O GLU A 139 9.124 -6.351 8.348 1.00 0.60 O ATOM 2062 CB GLU A 139 9.418 -9.639 8.885 1.00 0.72 C ATOM 2063 CG GLU A 139 10.522 -9.053 9.753 1.00 1.39 C ATOM 2064 CD GLU A 139 10.103 -8.862 11.196 1.00 1.99 C ATOM 2065 OE1 GLU A 139 9.758 -9.864 11.858 1.00 2.39 O ATOM 2066 OE2 GLU A 139 10.141 -7.710 11.680 1.00 2.60 O ATOM 0 H GLU A 139 7.613 -10.237 7.341 1.00 0.64 H new ATOM 0 HA GLU A 139 7.825 -8.260 9.335 1.00 0.66 H new ATOM 0 HB2 GLU A 139 8.934 -10.449 9.431 1.00 0.72 H new ATOM 0 HB3 GLU A 139 9.866 -10.079 7.994 1.00 0.72 H new ATOM 0 HG2 GLU A 139 11.392 -9.709 9.717 1.00 1.39 H new ATOM 0 HG3 GLU A 139 10.830 -8.093 9.340 1.00 1.39 H new ATOM 2073 N GLU A 140 9.398 -7.628 6.514 1.00 0.61 N ATOM 2074 CA GLU A 140 10.053 -6.585 5.736 1.00 0.59 C ATOM 2075 C GLU A 140 9.125 -5.392 5.500 1.00 0.55 C ATOM 2076 O GLU A 140 9.571 -4.246 5.446 1.00 0.55 O ATOM 2077 CB GLU A 140 10.555 -7.167 4.407 1.00 0.60 C ATOM 2078 CG GLU A 140 11.793 -8.042 4.568 1.00 0.63 C ATOM 2079 CD GLU A 140 12.071 -8.922 3.365 1.00 0.62 C ATOM 2080 OE1 GLU A 140 11.180 -9.691 2.960 1.00 0.63 O ATOM 2081 OE2 GLU A 140 13.196 -8.874 2.829 1.00 0.66 O ATOM 0 H GLU A 140 9.271 -8.507 6.012 1.00 0.61 H new ATOM 0 HA GLU A 140 10.907 -6.216 6.305 1.00 0.59 H new ATOM 0 HB2 GLU A 140 9.759 -7.755 3.951 1.00 0.60 H new ATOM 0 HB3 GLU A 140 10.781 -6.350 3.722 1.00 0.60 H new ATOM 0 HG2 GLU A 140 12.658 -7.404 4.750 1.00 0.63 H new ATOM 0 HG3 GLU A 140 11.671 -8.672 5.449 1.00 0.63 H new ATOM 2088 N PHE A 141 7.834 -5.660 5.390 1.00 0.55 N ATOM 2089 CA PHE A 141 6.857 -4.601 5.165 1.00 0.54 C ATOM 2090 C PHE A 141 6.555 -3.841 6.463 1.00 0.55 C ATOM 2091 O PHE A 141 6.402 -2.620 6.447 1.00 0.56 O ATOM 2092 CB PHE A 141 5.576 -5.190 4.571 1.00 0.62 C ATOM 2093 CG PHE A 141 4.665 -4.177 3.930 1.00 0.62 C ATOM 2094 CD1 PHE A 141 4.921 -3.700 2.649 1.00 0.59 C ATOM 2095 CD2 PHE A 141 3.548 -3.710 4.602 1.00 0.80 C ATOM 2096 CE1 PHE A 141 4.073 -2.784 2.056 1.00 0.68 C ATOM 2097 CE2 PHE A 141 2.695 -2.796 4.015 1.00 0.88 C ATOM 2098 CZ PHE A 141 2.960 -2.328 2.742 1.00 0.79 C ATOM 0 H PHE A 141 7.437 -6.597 5.452 1.00 0.55 H new ATOM 0 HA PHE A 141 7.279 -3.888 4.456 1.00 0.54 H new ATOM 0 HB2 PHE A 141 5.846 -5.940 3.827 1.00 0.62 H new ATOM 0 HB3 PHE A 141 5.028 -5.706 5.359 1.00 0.62 H new ATOM 0 HD1 PHE A 141 5.791 -4.049 2.112 1.00 0.59 H new ATOM 0 HD2 PHE A 141 3.341 -4.066 5.600 1.00 0.80 H new ATOM 0 HE1 PHE A 141 4.278 -2.424 1.059 1.00 0.68 H new ATOM 0 HE2 PHE A 141 1.823 -2.448 4.549 1.00 0.88 H new ATOM 0 HZ PHE A 141 2.300 -1.607 2.283 1.00 0.79 H new ATOM 2108 N VAL A 142 6.469 -4.559 7.586 1.00 0.57 N ATOM 2109 CA VAL A 142 6.200 -3.926 8.887 1.00 0.60 C ATOM 2110 C VAL A 142 7.299 -2.924 9.246 1.00 0.59 C ATOM 2111 O VAL A 142 7.027 -1.780 9.615 1.00 0.58 O ATOM 2112 CB VAL A 142 6.094 -4.968 10.032 1.00 0.65 C ATOM 2113 CG1 VAL A 142 5.929 -4.289 11.386 1.00 0.70 C ATOM 2114 CG2 VAL A 142 4.944 -5.931 9.782 1.00 0.66 C ATOM 0 H VAL A 142 6.580 -5.572 7.625 1.00 0.57 H new ATOM 0 HA VAL A 142 5.244 -3.413 8.785 1.00 0.60 H new ATOM 0 HB VAL A 142 7.025 -5.534 10.048 1.00 0.65 H new ATOM 0 HG11 VAL A 142 5.858 -5.046 12.167 1.00 0.70 H new ATOM 0 HG12 VAL A 142 6.790 -3.649 11.579 1.00 0.70 H new ATOM 0 HG13 VAL A 142 5.021 -3.685 11.382 1.00 0.70 H new ATOM 0 HG21 VAL A 142 4.889 -6.652 10.598 1.00 0.66 H new ATOM 0 HG22 VAL A 142 4.009 -5.374 9.727 1.00 0.66 H new ATOM 0 HG23 VAL A 142 5.109 -6.458 8.842 1.00 0.66 H new ATOM 2124 N GLN A 143 8.538 -3.358 9.099 1.00 0.61 N ATOM 2125 CA GLN A 143 9.690 -2.531 9.426 1.00 0.62 C ATOM 2126 C GLN A 143 9.821 -1.337 8.482 1.00 0.59 C ATOM 2127 O GLN A 143 10.523 -0.376 8.788 1.00 0.69 O ATOM 2128 CB GLN A 143 10.965 -3.367 9.358 1.00 0.72 C ATOM 2129 CG GLN A 143 11.001 -4.527 10.338 1.00 1.03 C ATOM 2130 CD GLN A 143 12.339 -5.242 10.330 1.00 1.17 C ATOM 2131 OE1 GLN A 143 13.374 -4.645 10.028 1.00 1.50 O ATOM 2132 NE2 GLN A 143 12.332 -6.520 10.669 1.00 1.47 N ATOM 0 H GLN A 143 8.775 -4.287 8.752 1.00 0.61 H new ATOM 0 HA GLN A 143 9.542 -2.150 10.437 1.00 0.62 H new ATOM 0 HB2 GLN A 143 11.077 -3.757 8.346 1.00 0.72 H new ATOM 0 HB3 GLN A 143 11.821 -2.720 9.547 1.00 0.72 H new ATOM 0 HG2 GLN A 143 10.794 -4.158 11.343 1.00 1.03 H new ATOM 0 HG3 GLN A 143 10.211 -5.235 10.089 1.00 1.03 H new ATOM 0 HE21 GLN A 143 11.454 -6.978 10.912 1.00 1.47 H new ATOM 0 HE22 GLN A 143 13.205 -7.048 10.687 1.00 1.47 H new ATOM 2141 N MET A 144 9.140 -1.389 7.349 1.00 0.57 N ATOM 2142 CA MET A 144 9.220 -0.312 6.371 1.00 0.62 C ATOM 2143 C MET A 144 8.051 0.665 6.483 1.00 0.62 C ATOM 2144 O MET A 144 8.237 1.877 6.372 1.00 0.70 O ATOM 2145 CB MET A 144 9.276 -0.891 4.958 1.00 0.72 C ATOM 2146 CG MET A 144 10.472 -0.411 4.147 1.00 0.84 C ATOM 2147 SD MET A 144 10.239 1.236 3.446 1.00 0.89 S ATOM 2148 CE MET A 144 8.973 0.916 2.214 1.00 0.88 C ATOM 0 H MET A 144 8.528 -2.160 7.083 1.00 0.57 H new ATOM 0 HA MET A 144 10.133 0.246 6.581 1.00 0.62 H new ATOM 0 HB2 MET A 144 9.304 -1.979 5.021 1.00 0.72 H new ATOM 0 HB3 MET A 144 8.360 -0.626 4.430 1.00 0.72 H new ATOM 0 HG2 MET A 144 11.357 -0.406 4.784 1.00 0.84 H new ATOM 0 HG3 MET A 144 10.664 -1.119 3.340 1.00 0.84 H new ATOM 0 HE1 MET A 144 8.986 1.708 1.465 1.00 0.88 H new ATOM 0 HE2 MET A 144 9.168 -0.042 1.732 1.00 0.88 H new ATOM 0 HE3 MET A 144 7.996 0.888 2.696 1.00 0.88 H new ATOM 2158 N MET A 145 6.848 0.162 6.727 1.00 0.62 N ATOM 2159 CA MET A 145 5.687 1.045 6.804 1.00 0.70 C ATOM 2160 C MET A 145 5.489 1.606 8.202 1.00 0.69 C ATOM 2161 O MET A 145 5.310 2.814 8.367 1.00 0.74 O ATOM 2162 CB MET A 145 4.405 0.345 6.346 1.00 0.81 C ATOM 2163 CG MET A 145 3.366 1.331 5.834 1.00 1.05 C ATOM 2164 SD MET A 145 1.844 0.540 5.291 1.00 0.94 S ATOM 2165 CE MET A 145 0.867 0.619 6.788 1.00 1.47 C ATOM 0 H MET A 145 6.650 -0.828 6.872 1.00 0.62 H new ATOM 0 HA MET A 145 5.894 1.872 6.125 1.00 0.70 H new ATOM 0 HB2 MET A 145 4.644 -0.370 5.559 1.00 0.81 H new ATOM 0 HB3 MET A 145 3.986 -0.223 7.177 1.00 0.81 H new ATOM 0 HG2 MET A 145 3.134 2.047 6.623 1.00 1.05 H new ATOM 0 HG3 MET A 145 3.790 1.897 5.004 1.00 1.05 H new ATOM 0 HE1 MET A 145 0.024 -0.067 6.709 1.00 1.47 H new ATOM 0 HE2 MET A 145 1.485 0.338 7.641 1.00 1.47 H new ATOM 0 HE3 MET A 145 0.496 1.634 6.927 1.00 1.47 H new ATOM 2175 N THR A 146 5.523 0.738 9.201 1.00 0.68 N ATOM 2176 CA THR A 146 5.334 1.163 10.579 1.00 0.74 C ATOM 2177 C THR A 146 6.516 2.000 11.062 1.00 0.81 C ATOM 2178 O THR A 146 6.347 2.944 11.837 1.00 0.94 O ATOM 2179 CB THR A 146 5.151 -0.050 11.507 1.00 0.89 C ATOM 2180 OG1 THR A 146 4.429 -1.078 10.818 1.00 0.93 O ATOM 2181 CG2 THR A 146 4.404 0.345 12.770 1.00 1.07 C ATOM 0 H THR A 146 5.679 -0.263 9.084 1.00 0.68 H new ATOM 0 HA THR A 146 4.432 1.775 10.611 1.00 0.74 H new ATOM 0 HB THR A 146 6.135 -0.422 11.791 1.00 0.89 H new ATOM 0 HG1 THR A 146 3.467 -0.946 10.949 1.00 0.93 H new ATOM 0 HG21 THR A 146 4.286 -0.529 13.411 1.00 1.07 H new ATOM 0 HG22 THR A 146 4.968 1.112 13.301 1.00 1.07 H new ATOM 0 HG23 THR A 146 3.422 0.735 12.505 1.00 1.07 H new ATOM 2189 N ALA A 147 7.705 1.649 10.598 1.00 0.91 N ATOM 2190 CA ALA A 147 8.912 2.364 10.977 1.00 1.05 C ATOM 2191 C ALA A 147 9.357 3.288 9.854 1.00 1.22 C ATOM 2192 O ALA A 147 8.530 3.743 9.058 1.00 1.28 O ATOM 2193 CB ALA A 147 10.021 1.390 11.338 1.00 1.33 C ATOM 0 H ALA A 147 7.859 0.871 9.957 1.00 0.91 H new ATOM 0 HA ALA A 147 8.691 2.970 11.856 1.00 1.05 H new ATOM 0 HB1 ALA A 147 10.916 1.945 11.619 1.00 1.33 H new ATOM 0 HB2 ALA A 147 9.702 0.769 12.175 1.00 1.33 H new ATOM 0 HB3 ALA A 147 10.242 0.756 10.479 1.00 1.33 H new TER 2199 ALA A 147 ATOM 2200 N MET B 1 -11.416 -0.734 0.190 1.00 1.22 N ATOM 2201 CA MET B 1 -10.114 -0.468 0.853 1.00 0.87 C ATOM 2202 C MET B 1 -9.049 -0.197 -0.200 1.00 0.74 C ATOM 2203 O MET B 1 -7.911 0.132 0.106 1.00 0.83 O ATOM 2204 CB MET B 1 -9.712 -1.650 1.737 1.00 1.06 C ATOM 2205 CG MET B 1 -8.800 -1.265 2.887 1.00 1.77 C ATOM 2206 SD MET B 1 -9.555 -0.079 4.009 1.00 2.30 S ATOM 2207 CE MET B 1 -8.598 -0.392 5.496 1.00 2.55 C ATOM 0 H1 MET B 1 -12.142 -0.919 0.912 1.00 1.22 H new ATOM 0 H2 MET B 1 -11.693 0.094 -0.376 1.00 1.22 H new ATOM 0 H3 MET B 1 -11.326 -1.563 -0.431 1.00 1.22 H new ATOM 0 HA MET B 1 -10.212 0.411 1.490 1.00 0.87 H new ATOM 0 HB2 MET B 1 -10.612 -2.116 2.138 1.00 1.06 H new ATOM 0 HB3 MET B 1 -9.212 -2.399 1.123 1.00 1.06 H new ATOM 0 HG2 MET B 1 -8.527 -2.161 3.444 1.00 1.77 H new ATOM 0 HG3 MET B 1 -7.877 -0.844 2.488 1.00 1.77 H new ATOM 0 HE1 MET B 1 -8.814 0.378 6.237 1.00 2.55 H new ATOM 0 HE2 MET B 1 -8.863 -1.369 5.900 1.00 2.55 H new ATOM 0 HE3 MET B 1 -7.535 -0.375 5.255 1.00 2.55 H new ATOM 2219 N ASP B 2 -9.454 -0.357 -1.446 1.00 0.76 N ATOM 2220 CA ASP B 2 -8.602 -0.161 -2.613 1.00 0.78 C ATOM 2221 C ASP B 2 -7.969 1.227 -2.614 1.00 0.70 C ATOM 2222 O ASP B 2 -6.764 1.373 -2.814 1.00 0.70 O ATOM 2223 CB ASP B 2 -9.449 -0.341 -3.878 1.00 0.98 C ATOM 2224 CG ASP B 2 -10.715 -1.150 -3.618 1.00 1.25 C ATOM 2225 OD1 ASP B 2 -11.554 -0.707 -2.780 1.00 1.67 O ATOM 2226 OD2 ASP B 2 -10.860 -2.227 -4.218 1.00 1.88 O ATOM 0 H ASP B 2 -10.406 -0.633 -1.685 1.00 0.76 H new ATOM 0 HA ASP B 2 -7.797 -0.895 -2.585 1.00 0.78 H new ATOM 0 HB2 ASP B 2 -9.721 0.638 -4.272 1.00 0.98 H new ATOM 0 HB3 ASP B 2 -8.853 -0.839 -4.643 1.00 0.98 H new ATOM 2231 N CYS B 3 -8.786 2.243 -2.388 1.00 0.64 N ATOM 2232 CA CYS B 3 -8.308 3.619 -2.361 1.00 0.57 C ATOM 2233 C CYS B 3 -7.316 3.831 -1.217 1.00 0.57 C ATOM 2234 O CYS B 3 -6.369 4.604 -1.339 1.00 0.59 O ATOM 2235 CB CYS B 3 -9.502 4.577 -2.273 1.00 0.51 C ATOM 2236 SG CYS B 3 -10.731 4.347 -3.597 1.00 0.42 S ATOM 0 H CYS B 3 -9.787 2.142 -2.220 1.00 0.64 H new ATOM 0 HA CYS B 3 -7.770 3.832 -3.285 1.00 0.57 H new ATOM 0 HB2 CYS B 3 -9.992 4.444 -1.309 1.00 0.51 H new ATOM 0 HB3 CYS B 3 -9.135 5.603 -2.305 1.00 0.51 H new ATOM 0 HG CYS B 3 -10.127 4.310 -4.748 1.00 0.42 H new ATOM 2242 N LEU B 4 -7.512 3.099 -0.132 1.00 0.59 N ATOM 2243 CA LEU B 4 -6.627 3.188 1.026 1.00 0.61 C ATOM 2244 C LEU B 4 -5.350 2.412 0.763 1.00 0.57 C ATOM 2245 O LEU B 4 -4.284 2.811 1.221 1.00 0.56 O ATOM 2246 CB LEU B 4 -7.341 2.669 2.276 1.00 0.67 C ATOM 2247 CG LEU B 4 -6.665 3.019 3.601 1.00 0.90 C ATOM 2248 CD1 LEU B 4 -6.063 4.413 3.553 1.00 1.09 C ATOM 2249 CD2 LEU B 4 -7.644 2.900 4.756 1.00 1.25 C ATOM 0 H LEU B 4 -8.278 2.434 -0.026 1.00 0.59 H new ATOM 0 HA LEU B 4 -6.363 4.231 1.197 1.00 0.61 H new ATOM 0 HB2 LEU B 4 -8.356 3.067 2.287 1.00 0.67 H new ATOM 0 HB3 LEU B 4 -7.425 1.585 2.204 1.00 0.67 H new ATOM 0 HG LEU B 4 -5.857 2.305 3.763 1.00 0.90 H new ATOM 0 HD11 LEU B 4 -5.588 4.637 4.508 1.00 1.09 H new ATOM 0 HD12 LEU B 4 -5.319 4.461 2.758 1.00 1.09 H new ATOM 0 HD13 LEU B 4 -6.849 5.142 3.359 1.00 1.09 H new ATOM 0 HD21 LEU B 4 -7.140 3.154 5.688 1.00 1.25 H new ATOM 0 HD22 LEU B 4 -8.479 3.583 4.597 1.00 1.25 H new ATOM 0 HD23 LEU B 4 -8.017 1.878 4.813 1.00 1.25 H new ATOM 2261 N CYS B 5 -5.442 1.321 0.011 1.00 0.58 N ATOM 2262 CA CYS B 5 -4.254 0.553 -0.317 1.00 0.57 C ATOM 2263 C CYS B 5 -3.377 1.402 -1.223 1.00 0.59 C ATOM 2264 O CYS B 5 -2.161 1.263 -1.230 1.00 0.61 O ATOM 2265 CB CYS B 5 -4.603 -0.798 -0.958 1.00 0.61 C ATOM 2266 SG CYS B 5 -4.846 -0.772 -2.753 1.00 0.60 S ATOM 0 H CYS B 5 -6.312 0.956 -0.376 1.00 0.58 H new ATOM 0 HA CYS B 5 -3.711 0.312 0.597 1.00 0.57 H new ATOM 0 HB2 CYS B 5 -3.807 -1.506 -0.727 1.00 0.61 H new ATOM 0 HB3 CYS B 5 -5.512 -1.177 -0.492 1.00 0.61 H new ATOM 0 HG CYS B 5 -5.827 0.029 -3.047 1.00 0.60 H new ATOM 2272 N ILE B 6 -4.010 2.308 -1.973 1.00 0.59 N ATOM 2273 CA ILE B 6 -3.279 3.229 -2.828 1.00 0.61 C ATOM 2274 C ILE B 6 -2.511 4.189 -1.924 1.00 0.58 C ATOM 2275 O ILE B 6 -1.353 4.520 -2.184 1.00 0.60 O ATOM 2276 CB ILE B 6 -4.220 4.010 -3.795 1.00 0.60 C ATOM 2277 CG1 ILE B 6 -4.418 3.225 -5.107 1.00 0.61 C ATOM 2278 CG2 ILE B 6 -3.684 5.415 -4.080 1.00 0.62 C ATOM 2279 CD1 ILE B 6 -4.834 4.077 -6.283 1.00 0.53 C ATOM 0 H ILE B 6 -5.024 2.418 -2.001 1.00 0.59 H new ATOM 0 HA ILE B 6 -2.595 2.666 -3.463 1.00 0.61 H new ATOM 0 HB ILE B 6 -5.188 4.118 -3.306 1.00 0.60 H new ATOM 0 HG12 ILE B 6 -3.488 2.713 -5.355 1.00 0.61 H new ATOM 0 HG13 ILE B 6 -5.172 2.455 -4.946 1.00 0.61 H new ATOM 0 HG21 ILE B 6 -4.363 5.933 -4.757 1.00 0.62 H new ATOM 0 HG22 ILE B 6 -3.608 5.972 -3.146 1.00 0.62 H new ATOM 0 HG23 ILE B 6 -2.698 5.342 -4.540 1.00 0.62 H new ATOM 0 HD11 ILE B 6 -4.951 3.447 -7.165 1.00 0.53 H new ATOM 0 HD12 ILE B 6 -5.781 4.569 -6.059 1.00 0.53 H new ATOM 0 HD13 ILE B 6 -4.070 4.831 -6.474 1.00 0.53 H new ATOM 2291 N VAL B 7 -3.164 4.604 -0.836 1.00 0.54 N ATOM 2292 CA VAL B 7 -2.535 5.483 0.143 1.00 0.51 C ATOM 2293 C VAL B 7 -1.356 4.745 0.772 1.00 0.52 C ATOM 2294 O VAL B 7 -0.301 5.329 1.018 1.00 0.57 O ATOM 2295 CB VAL B 7 -3.524 5.958 1.248 1.00 0.48 C ATOM 2296 CG1 VAL B 7 -2.913 7.091 2.054 1.00 0.46 C ATOM 2297 CG2 VAL B 7 -4.837 6.405 0.625 1.00 0.56 C ATOM 0 H VAL B 7 -4.125 4.344 -0.614 1.00 0.54 H new ATOM 0 HA VAL B 7 -2.197 6.381 -0.375 1.00 0.51 H new ATOM 0 HB VAL B 7 -3.722 5.121 1.918 1.00 0.48 H new ATOM 0 HG11 VAL B 7 -3.617 7.412 2.822 1.00 0.46 H new ATOM 0 HG12 VAL B 7 -1.993 6.747 2.526 1.00 0.46 H new ATOM 0 HG13 VAL B 7 -2.691 7.929 1.393 1.00 0.46 H new ATOM 0 HG21 VAL B 7 -5.518 6.734 1.409 1.00 0.56 H new ATOM 0 HG22 VAL B 7 -4.651 7.229 -0.064 1.00 0.56 H new ATOM 0 HG23 VAL B 7 -5.284 5.572 0.082 1.00 0.56 H new ATOM 2307 N THR B 8 -1.536 3.443 0.991 1.00 0.51 N ATOM 2308 CA THR B 8 -0.486 2.605 1.550 1.00 0.52 C ATOM 2309 C THR B 8 0.640 2.434 0.539 1.00 0.58 C ATOM 2310 O THR B 8 1.819 2.497 0.886 1.00 0.62 O ATOM 2311 CB THR B 8 -1.026 1.216 1.951 1.00 0.53 C ATOM 2312 OG1 THR B 8 -2.288 1.361 2.592 1.00 0.58 O ATOM 2313 CG2 THR B 8 -0.051 0.510 2.880 1.00 0.63 C ATOM 0 H THR B 8 -2.404 2.948 0.788 1.00 0.51 H new ATOM 0 HA THR B 8 -0.109 3.100 2.445 1.00 0.52 H new ATOM 0 HB THR B 8 -1.143 0.612 1.051 1.00 0.53 H new ATOM 0 HG1 THR B 8 -2.764 0.505 2.574 1.00 0.58 H new ATOM 0 HG21 THR B 8 -0.450 -0.467 3.151 1.00 0.63 H new ATOM 0 HG22 THR B 8 0.906 0.384 2.375 1.00 0.63 H new ATOM 0 HG23 THR B 8 0.090 1.107 3.781 1.00 0.63 H new ATOM 2321 N THR B 9 0.264 2.239 -0.720 1.00 0.63 N ATOM 2322 CA THR B 9 1.229 2.079 -1.795 1.00 0.70 C ATOM 2323 C THR B 9 2.067 3.341 -1.928 1.00 0.73 C ATOM 2324 O THR B 9 3.259 3.285 -2.206 1.00 0.78 O ATOM 2325 CB THR B 9 0.536 1.775 -3.144 1.00 0.75 C ATOM 2326 OG1 THR B 9 -0.378 0.681 -3.000 1.00 0.83 O ATOM 2327 CG2 THR B 9 1.562 1.434 -4.216 1.00 0.71 C ATOM 0 H THR B 9 -0.710 2.188 -1.020 1.00 0.63 H new ATOM 0 HA THR B 9 1.868 1.232 -1.544 1.00 0.70 H new ATOM 0 HB THR B 9 -0.010 2.668 -3.447 1.00 0.75 H new ATOM 0 HG1 THR B 9 -1.190 0.990 -2.546 1.00 0.83 H new ATOM 0 HG21 THR B 9 1.051 1.224 -5.155 1.00 0.71 H new ATOM 0 HG22 THR B 9 2.240 2.277 -4.352 1.00 0.71 H new ATOM 0 HG23 THR B 9 2.131 0.557 -3.909 1.00 0.71 H new ATOM 2335 N LYS B 10 1.434 4.480 -1.705 1.00 0.74 N ATOM 2336 CA LYS B 10 2.119 5.757 -1.783 1.00 0.80 C ATOM 2337 C LYS B 10 3.048 5.925 -0.600 1.00 0.81 C ATOM 2338 O LYS B 10 4.181 6.352 -0.757 1.00 0.87 O ATOM 2339 CB LYS B 10 1.105 6.896 -1.832 1.00 0.82 C ATOM 2340 CG LYS B 10 0.494 7.091 -3.204 1.00 1.07 C ATOM 2341 CD LYS B 10 1.219 8.170 -3.995 1.00 1.51 C ATOM 2342 CE LYS B 10 2.478 7.639 -4.675 1.00 1.88 C ATOM 2343 NZ LYS B 10 3.696 8.383 -4.259 1.00 2.03 N ATOM 0 H LYS B 10 0.444 4.546 -1.468 1.00 0.74 H new ATOM 0 HA LYS B 10 2.713 5.783 -2.696 1.00 0.80 H new ATOM 0 HB2 LYS B 10 0.311 6.698 -1.112 1.00 0.82 H new ATOM 0 HB3 LYS B 10 1.592 7.821 -1.523 1.00 0.82 H new ATOM 0 HG2 LYS B 10 0.529 6.151 -3.755 1.00 1.07 H new ATOM 0 HG3 LYS B 10 -0.557 7.361 -3.099 1.00 1.07 H new ATOM 0 HD2 LYS B 10 0.546 8.579 -4.749 1.00 1.51 H new ATOM 0 HD3 LYS B 10 1.487 8.989 -3.328 1.00 1.51 H new ATOM 0 HE2 LYS B 10 2.600 6.583 -4.436 1.00 1.88 H new ATOM 0 HE3 LYS B 10 2.362 7.710 -5.757 1.00 1.88 H new ATOM 0 HZ1 LYS B 10 4.297 8.557 -5.090 1.00 2.03 H new ATOM 0 HZ2 LYS B 10 3.420 9.292 -3.835 1.00 2.03 H new ATOM 0 HZ3 LYS B 10 4.224 7.822 -3.561 1.00 2.03 H new ATOM 2357 N LYS B 11 2.560 5.573 0.580 1.00 0.77 N ATOM 2358 CA LYS B 11 3.346 5.657 1.803 1.00 0.79 C ATOM 2359 C LYS B 11 4.577 4.765 1.679 1.00 0.82 C ATOM 2360 O LYS B 11 5.681 5.138 2.069 1.00 0.89 O ATOM 2361 CB LYS B 11 2.479 5.218 2.993 1.00 0.74 C ATOM 2362 CG LYS B 11 2.827 5.890 4.315 1.00 0.73 C ATOM 2363 CD LYS B 11 3.966 5.193 5.049 1.00 0.86 C ATOM 2364 CE LYS B 11 4.138 5.769 6.448 1.00 1.02 C ATOM 2365 NZ LYS B 11 5.377 5.296 7.117 1.00 1.32 N ATOM 0 H LYS B 11 1.612 5.222 0.717 1.00 0.77 H new ATOM 0 HA LYS B 11 3.674 6.684 1.965 1.00 0.79 H new ATOM 0 HB2 LYS B 11 1.434 5.424 2.760 1.00 0.74 H new ATOM 0 HB3 LYS B 11 2.571 4.139 3.114 1.00 0.74 H new ATOM 0 HG2 LYS B 11 3.102 6.928 4.128 1.00 0.73 H new ATOM 0 HG3 LYS B 11 1.944 5.904 4.954 1.00 0.73 H new ATOM 0 HD2 LYS B 11 3.763 4.124 5.113 1.00 0.86 H new ATOM 0 HD3 LYS B 11 4.892 5.309 4.486 1.00 0.86 H new ATOM 0 HE2 LYS B 11 4.156 6.857 6.388 1.00 1.02 H new ATOM 0 HE3 LYS B 11 3.276 5.497 7.056 1.00 1.02 H new ATOM 0 HZ1 LYS B 11 5.606 5.928 7.911 1.00 1.32 H new ATOM 0 HZ2 LYS B 11 5.232 4.330 7.474 1.00 1.32 H new ATOM 0 HZ3 LYS B 11 6.162 5.298 6.435 1.00 1.32 H new ATOM 2379 N TYR B 12 4.369 3.596 1.102 1.00 0.78 N ATOM 2380 CA TYR B 12 5.434 2.632 0.894 1.00 0.81 C ATOM 2381 C TYR B 12 6.365 3.110 -0.227 1.00 0.95 C ATOM 2382 O TYR B 12 7.570 2.862 -0.196 1.00 1.01 O ATOM 2383 CB TYR B 12 4.798 1.266 0.573 1.00 0.78 C ATOM 2384 CG TYR B 12 5.767 0.120 0.406 1.00 0.80 C ATOM 2385 CD1 TYR B 12 6.204 -0.618 1.501 1.00 0.64 C ATOM 2386 CD2 TYR B 12 6.225 -0.240 -0.855 1.00 1.14 C ATOM 2387 CE1 TYR B 12 7.079 -1.678 1.342 1.00 0.78 C ATOM 2388 CE2 TYR B 12 7.095 -1.298 -1.022 1.00 1.21 C ATOM 2389 CZ TYR B 12 7.521 -2.014 0.074 1.00 1.01 C ATOM 2390 OH TYR B 12 8.386 -3.068 -0.098 1.00 1.17 O ATOM 0 H TYR B 12 3.457 3.288 0.764 1.00 0.78 H new ATOM 0 HA TYR B 12 6.043 2.531 1.792 1.00 0.81 H new ATOM 0 HB2 TYR B 12 4.099 1.014 1.370 1.00 0.78 H new ATOM 0 HB3 TYR B 12 4.215 1.363 -0.343 1.00 0.78 H new ATOM 0 HD1 TYR B 12 5.855 -0.360 2.490 1.00 0.64 H new ATOM 0 HD2 TYR B 12 5.895 0.317 -1.719 1.00 1.14 H new ATOM 0 HE1 TYR B 12 7.415 -2.239 2.201 1.00 0.78 H new ATOM 0 HE2 TYR B 12 7.441 -1.564 -2.010 1.00 1.21 H new ATOM 0 HH TYR B 12 9.036 -2.847 -0.797 1.00 1.17 H new ATOM 2400 N ARG B 13 5.799 3.829 -1.194 1.00 1.05 N ATOM 2401 CA ARG B 13 6.567 4.357 -2.316 1.00 1.20 C ATOM 2402 C ARG B 13 7.171 5.722 -1.965 1.00 1.27 C ATOM 2403 O ARG B 13 7.733 6.413 -2.820 1.00 1.46 O ATOM 2404 CB ARG B 13 5.735 4.416 -3.610 1.00 1.27 C ATOM 2405 CG ARG B 13 6.614 4.256 -4.844 1.00 1.21 C ATOM 2406 CD ARG B 13 5.835 4.337 -6.153 1.00 1.62 C ATOM 2407 NE ARG B 13 5.440 5.703 -6.523 1.00 2.12 N ATOM 2408 CZ ARG B 13 6.281 6.730 -6.710 1.00 2.44 C ATOM 2409 NH1 ARG B 13 7.590 6.588 -6.532 1.00 2.69 N ATOM 2410 NH2 ARG B 13 5.796 7.905 -7.108 1.00 3.10 N ATOM 0 H ARG B 13 4.806 4.059 -1.221 1.00 1.05 H new ATOM 0 HA ARG B 13 7.388 3.666 -2.508 1.00 1.20 H new ATOM 0 HB2 ARG B 13 4.980 3.630 -3.595 1.00 1.27 H new ATOM 0 HB3 ARG B 13 5.204 5.367 -3.660 1.00 1.27 H new ATOM 0 HG2 ARG B 13 7.382 5.030 -4.838 1.00 1.21 H new ATOM 0 HG3 ARG B 13 7.128 3.296 -4.794 1.00 1.21 H new ATOM 0 HD2 ARG B 13 6.442 3.915 -6.953 1.00 1.62 H new ATOM 0 HD3 ARG B 13 4.941 3.719 -6.072 1.00 1.62 H new ATOM 0 HE ARG B 13 4.444 5.885 -6.648 1.00 2.12 H new ATOM 0 HH11 ARG B 13 7.971 5.685 -6.248 1.00 2.69 H new ATOM 0 HH12 ARG B 13 8.214 7.381 -6.679 1.00 2.69 H new ATOM 0 HH21 ARG B 13 4.795 8.016 -7.267 1.00 3.10 H new ATOM 0 HH22 ARG B 13 6.426 8.694 -7.254 1.00 3.10 H new ATOM 2424 N TYR B 14 6.849 6.192 -0.769 1.00 1.21 N ATOM 2425 CA TYR B 14 7.406 7.433 -0.252 1.00 1.29 C ATOM 2426 C TYR B 14 8.510 7.137 0.775 1.00 1.32 C ATOM 2427 O TYR B 14 9.382 7.968 1.050 1.00 1.47 O ATOM 2428 CB TYR B 14 6.303 8.304 0.332 1.00 1.24 C ATOM 2429 CG TYR B 14 6.755 9.698 0.681 1.00 1.21 C ATOM 2430 CD1 TYR B 14 7.116 10.602 -0.313 1.00 1.23 C ATOM 2431 CD2 TYR B 14 6.819 10.111 2.000 1.00 1.26 C ATOM 2432 CE1 TYR B 14 7.525 11.881 0.005 1.00 1.26 C ATOM 2433 CE2 TYR B 14 7.226 11.389 2.326 1.00 1.30 C ATOM 2434 CZ TYR B 14 7.582 12.270 1.324 1.00 1.28 C ATOM 2435 OH TYR B 14 7.987 13.548 1.644 1.00 1.38 O ATOM 0 H TYR B 14 6.199 5.728 -0.134 1.00 1.21 H new ATOM 0 HA TYR B 14 7.863 7.989 -1.071 1.00 1.29 H new ATOM 0 HB2 TYR B 14 5.483 8.366 -0.384 1.00 1.24 H new ATOM 0 HB3 TYR B 14 5.909 7.824 1.228 1.00 1.24 H new ATOM 0 HD1 TYR B 14 7.076 10.298 -1.349 1.00 1.23 H new ATOM 0 HD2 TYR B 14 6.546 9.423 2.786 1.00 1.26 H new ATOM 0 HE1 TYR B 14 7.799 12.573 -0.777 1.00 1.26 H new ATOM 0 HE2 TYR B 14 7.266 11.698 3.360 1.00 1.30 H new ATOM 0 HH TYR B 14 7.971 13.662 2.617 1.00 1.38 H new ATOM 2445 N GLN B 15 8.428 5.941 1.347 1.00 1.21 N ATOM 2446 CA GLN B 15 9.357 5.489 2.374 1.00 1.23 C ATOM 2447 C GLN B 15 10.676 5.019 1.766 1.00 1.37 C ATOM 2448 O GLN B 15 11.698 4.973 2.451 1.00 1.37 O ATOM 2449 CB GLN B 15 8.705 4.364 3.189 1.00 1.12 C ATOM 2450 CG GLN B 15 8.989 4.433 4.682 1.00 1.04 C ATOM 2451 CD GLN B 15 8.641 5.784 5.279 1.00 1.16 C ATOM 2452 OE1 GLN B 15 7.484 6.055 5.597 1.00 1.25 O ATOM 2453 NE2 GLN B 15 9.646 6.630 5.462 1.00 1.41 N ATOM 0 H GLN B 15 7.711 5.255 1.110 1.00 1.21 H new ATOM 0 HA GLN B 15 9.585 6.328 3.031 1.00 1.23 H new ATOM 0 HB2 GLN B 15 7.627 4.395 3.033 1.00 1.12 H new ATOM 0 HB3 GLN B 15 9.054 3.404 2.808 1.00 1.12 H new ATOM 0 HG2 GLN B 15 8.420 3.656 5.193 1.00 1.04 H new ATOM 0 HG3 GLN B 15 10.044 4.223 4.858 1.00 1.04 H new ATOM 0 HE21 GLN B 15 10.591 6.367 5.184 1.00 1.41 H new ATOM 0 HE22 GLN B 15 9.473 7.544 5.880 1.00 1.41 H new ATOM 2462 N ASP B 16 10.655 4.672 0.483 1.00 1.59 N ATOM 2463 CA ASP B 16 11.866 4.232 -0.210 1.00 1.76 C ATOM 2464 C ASP B 16 12.881 5.377 -0.262 1.00 1.96 C ATOM 2465 O ASP B 16 14.088 5.152 -0.339 1.00 2.05 O ATOM 2466 CB ASP B 16 11.543 3.730 -1.625 1.00 2.09 C ATOM 2467 CG ASP B 16 11.358 4.847 -2.626 1.00 2.24 C ATOM 2468 OD1 ASP B 16 10.433 5.663 -2.450 1.00 2.32 O ATOM 2469 OD2 ASP B 16 12.137 4.899 -3.597 1.00 2.65 O ATOM 0 H ASP B 16 9.817 4.686 -0.098 1.00 1.59 H new ATOM 0 HA ASP B 16 12.299 3.400 0.345 1.00 1.76 H new ATOM 0 HB2 ASP B 16 12.347 3.077 -1.964 1.00 2.09 H new ATOM 0 HB3 ASP B 16 10.635 3.127 -1.591 1.00 2.09 H new ATOM 2474 N GLU B 17 12.374 6.604 -0.183 1.00 2.16 N ATOM 2475 CA GLU B 17 13.207 7.803 -0.194 1.00 2.48 C ATOM 2476 C GLU B 17 13.674 8.143 1.228 1.00 2.44 C ATOM 2477 O GLU B 17 13.860 9.314 1.565 1.00 2.36 O ATOM 2478 CB GLU B 17 12.402 8.978 -0.762 1.00 2.75 C ATOM 2479 CG GLU B 17 12.633 9.240 -2.243 1.00 3.19 C ATOM 2480 CD GLU B 17 13.966 9.908 -2.517 1.00 3.49 C ATOM 2481 OE1 GLU B 17 14.450 10.663 -1.645 1.00 4.01 O ATOM 2482 OE2 GLU B 17 14.520 9.703 -3.612 1.00 3.62 O ATOM 0 H GLU B 17 11.375 6.795 -0.110 1.00 2.16 H new ATOM 0 HA GLU B 17 14.082 7.619 -0.817 1.00 2.48 H new ATOM 0 HB2 GLU B 17 11.341 8.788 -0.600 1.00 2.75 H new ATOM 0 HB3 GLU B 17 12.653 9.879 -0.202 1.00 2.75 H new ATOM 0 HG2 GLU B 17 12.585 8.296 -2.787 1.00 3.19 H new ATOM 0 HG3 GLU B 17 11.830 9.870 -2.626 1.00 3.19 H new ATOM 2489 N ASP B 18 13.860 7.116 2.054 1.00 2.66 N ATOM 2490 CA ASP B 18 14.268 7.296 3.451 1.00 2.76 C ATOM 2491 C ASP B 18 15.771 7.497 3.607 1.00 3.15 C ATOM 2492 O ASP B 18 16.204 8.472 4.218 1.00 3.44 O ATOM 2493 CB ASP B 18 13.838 6.083 4.278 1.00 2.70 C ATOM 2494 CG ASP B 18 13.763 6.372 5.764 1.00 2.54 C ATOM 2495 OD1 ASP B 18 14.824 6.439 6.426 1.00 2.45 O ATOM 2496 OD2 ASP B 18 12.634 6.509 6.283 1.00 2.74 O ATOM 0 H ASP B 18 13.734 6.142 1.780 1.00 2.66 H new ATOM 0 HA ASP B 18 13.776 8.200 3.808 1.00 2.76 H new ATOM 0 HB2 ASP B 18 12.863 5.741 3.931 1.00 2.70 H new ATOM 0 HB3 ASP B 18 14.541 5.267 4.108 1.00 2.70 H new ATOM 2501 N THR B 19 16.566 6.584 3.068 1.00 3.25 N ATOM 2502 CA THR B 19 18.013 6.681 3.202 1.00 3.64 C ATOM 2503 C THR B 19 18.687 6.825 1.839 1.00 4.26 C ATOM 2504 O THR B 19 19.060 5.796 1.232 1.00 4.48 O ATOM 2505 CB THR B 19 18.576 5.458 3.954 1.00 3.58 C ATOM 2506 OG1 THR B 19 17.642 5.046 4.965 1.00 3.24 O ATOM 2507 CG2 THR B 19 19.912 5.790 4.607 1.00 3.63 C ATOM 0 H THR B 19 16.239 5.776 2.539 1.00 3.25 H new ATOM 0 HA THR B 19 18.232 7.577 3.783 1.00 3.64 H new ATOM 0 HB THR B 19 18.730 4.652 3.237 1.00 3.58 H new ATOM 0 HG1 THR B 19 17.999 4.268 5.442 1.00 3.24 H new ATOM 0 HG21 THR B 19 20.289 4.912 5.131 1.00 3.63 H new ATOM 0 HG22 THR B 19 20.627 6.090 3.841 1.00 3.63 H new ATOM 0 HG23 THR B 19 19.777 6.606 5.317 1.00 3.63 H new TER 2515 THR B 19 HETATM 2516 CA CA A 201 -17.304 7.933 -9.993 1.00 0.41 CA HETATM 2517 CA CA A 202 -19.017 7.368 3.735 1.00 0.48 CA HETATM 2518 CA CA A 203 2.932 -13.319 -3.813 1.00 0.50 CA HETATM 2519 CA CA A 204 12.990 -10.468 1.186 1.00 0.73 CA