USER MOD reduce.3.24.130724 H: found=0, std=0, add=1109, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1111 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 62 GLNHE21 : A 62 GLN OE1 : A 151 CACA :(metal ligand) USER MOD NoAdj : A 62 GLNHE22 : A 62 GLN OE1 : A 151 CACA :(metal ligand) USER MOD Set 1.1: A 124 MET CE :methyl 158:sc= -2.14! (180deg=-2.83!) USER MOD Set 1.2: A 148 LYS NZ :NH3+ -129:sc= 0.565 (180deg=-0.434) USER MOD Set 2.1: A 146 SER OG : rot -88:sc= 0.102 USER MOD Set 2.2: A 147 GLN :FLIP amide:sc= 0.0828 F(o=-3.8!,f=0.18) USER MOD Set 3.1: A 8 GLN :FLIP amide:sc= -0.136 F(o=-4.1!,f=-1) USER MOD Set 3.2: A 76 MET CE :methyl 140:sc= -0.874 (180deg=-1.23) USER MOD Set 4.1: A 41 GLN : amide:sc= -0.311 K(o=-0.82,f=-2.4) USER MOD Set 4.2: A 72 MET CE :methyl -162:sc= -0.508 (180deg=-1.86) USER MOD Set 5.1: A 36 MET CE :methyl 178:sc= -1.69 (180deg=-1.66) USER MOD Set 5.2: A 75 GLN :FLIP amide:sc= -1.16 F(o=-4.2,f=-2.9) USER MOD Single : A 2 SER OG : rot -35:sc= 0.0253 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0173 USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= -0.0056 (180deg=-0.0817) USER MOD Single : A 18 GLN : amide:sc= -1.4! C(o=-1.4!,f=-2.4!) USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= -0.0622 (180deg=-0.335) USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= -0.0936 (180deg=-0.571) USER MOD Single : A 29 THR OG1 : rot 90:sc= -0.631 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 83:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.396 X(o=-0.4,f=-0.21) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc=-0.00932 K(o=-0.0093,f=-0.74) USER MOD Single : A 57 ASN : amide:sc= -0.299 X(o=-0.3,f=0.18) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.109 F(o=-1.5,f=-0.11) USER MOD Single : A 59 ASN : amide:sc= -0.529 K(o=-0.53,f=-4!) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.158 F(o=-2.7!,f=-0.16) USER MOD Single : A 64 ASN : amide:sc= -3.52! C(o=-3.5!,f=-4.5!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0733 USER MOD Single : A 69 CYS SG : rot 75:sc= -0.958 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -138:sc= -1.94 (180deg=-2.93!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 163:sc= -0.652 (180deg=-1.17) USER MOD Single : A 111 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.8) USER MOD Single : A 115 LYS NZ :NH3+ -144:sc= 0.354 (180deg=0.0128) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 135 MET CE :methyl -117:sc= -0.318 (180deg=-1.29) USER MOD Single : A 137 ASN : amide:sc= -3.82! C(o=-3.8!,f=-6.4!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 MET CE :methyl 157:sc= -5.11! (180deg=-5.64!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 0.194 0.887 4.883 1.00 3.85 N ATOM 2 CA SER A 2 -0.404 2.099 4.267 1.00 3.35 C ATOM 3 C SER A 2 0.415 3.339 4.607 1.00 2.64 C ATOM 4 O SER A 2 1.330 3.279 5.429 1.00 3.12 O ATOM 5 CB SER A 2 -1.844 2.277 4.752 1.00 4.09 C ATOM 6 OG SER A 2 -1.888 2.514 6.148 1.00 4.89 O ATOM 0 HA SER A 2 -0.402 1.970 3.185 1.00 3.35 H new ATOM 0 HB2 SER A 2 -2.308 3.110 4.224 1.00 4.09 H new ATOM 0 HB3 SER A 2 -2.424 1.386 4.513 1.00 4.09 H new ATOM 0 HG SER A 2 -1.175 2.006 6.589 1.00 4.89 H new ATOM 12 N GLU A 3 0.086 4.464 3.976 1.00 1.91 N ATOM 13 CA GLU A 3 0.809 5.707 4.221 1.00 1.35 C ATOM 14 C GLU A 3 -0.010 6.928 3.816 1.00 1.08 C ATOM 15 O GLU A 3 0.462 7.788 3.072 1.00 1.52 O ATOM 16 CB GLU A 3 2.139 5.702 3.471 1.00 1.52 C ATOM 17 CG GLU A 3 2.006 5.374 1.993 1.00 2.09 C ATOM 18 CD GLU A 3 3.346 5.311 1.287 1.00 2.74 C ATOM 19 OE1 GLU A 3 3.943 4.214 1.242 1.00 3.22 O ATOM 20 OE2 GLU A 3 3.799 6.356 0.776 1.00 3.26 O ATOM 0 H GLU A 3 -0.671 4.539 3.296 1.00 1.91 H new ATOM 0 HA GLU A 3 0.996 5.770 5.293 1.00 1.35 H new ATOM 0 HB2 GLU A 3 2.609 6.680 3.576 1.00 1.52 H new ATOM 0 HB3 GLU A 3 2.806 4.976 3.937 1.00 1.52 H new ATOM 0 HG2 GLU A 3 1.495 4.417 1.881 1.00 2.09 H new ATOM 0 HG3 GLU A 3 1.381 6.127 1.512 1.00 2.09 H new ATOM 27 N LEU A 4 -1.239 6.996 4.306 1.00 0.73 N ATOM 28 CA LEU A 4 -2.121 8.119 4.010 1.00 0.45 C ATOM 29 C LEU A 4 -1.949 9.220 5.056 1.00 0.47 C ATOM 30 O LEU A 4 -1.841 8.941 6.251 1.00 0.58 O ATOM 31 CB LEU A 4 -3.582 7.661 3.968 1.00 0.41 C ATOM 32 CG LEU A 4 -3.875 6.424 3.108 1.00 0.50 C ATOM 33 CD1 LEU A 4 -3.047 6.435 1.834 1.00 1.27 C ATOM 34 CD2 LEU A 4 -3.633 5.148 3.898 1.00 1.19 C ATOM 0 H LEU A 4 -1.650 6.286 4.912 1.00 0.73 H new ATOM 0 HA LEU A 4 -1.852 8.516 3.031 1.00 0.45 H new ATOM 0 HB2 LEU A 4 -3.907 7.455 4.988 1.00 0.41 H new ATOM 0 HB3 LEU A 4 -4.191 8.487 3.600 1.00 0.41 H new ATOM 0 HG LEU A 4 -4.927 6.455 2.824 1.00 0.50 H new ATOM 0 HD11 LEU A 4 -3.275 5.547 1.244 1.00 1.27 H new ATOM 0 HD12 LEU A 4 -3.284 7.327 1.254 1.00 1.27 H new ATOM 0 HD13 LEU A 4 -1.987 6.439 2.089 1.00 1.27 H new ATOM 0 HD21 LEU A 4 -3.847 4.284 3.269 1.00 1.19 H new ATOM 0 HD22 LEU A 4 -2.593 5.112 4.222 1.00 1.19 H new ATOM 0 HD23 LEU A 4 -4.285 5.131 4.771 1.00 1.19 H new ATOM 46 N THR A 5 -1.926 10.471 4.601 1.00 0.47 N ATOM 47 CA THR A 5 -1.762 11.611 5.501 1.00 0.54 C ATOM 48 C THR A 5 -3.001 11.818 6.366 1.00 0.51 C ATOM 49 O THR A 5 -3.958 11.053 6.284 1.00 0.55 O ATOM 50 CB THR A 5 -1.467 12.909 4.728 1.00 0.62 C ATOM 51 OG1 THR A 5 -2.523 13.180 3.800 1.00 1.12 O ATOM 52 CG2 THR A 5 -0.145 12.810 3.984 1.00 0.99 C ATOM 0 H THR A 5 -2.019 10.721 3.616 1.00 0.47 H new ATOM 0 HA THR A 5 -0.910 11.380 6.141 1.00 0.54 H new ATOM 0 HB THR A 5 -1.399 13.724 5.448 1.00 0.62 H new ATOM 0 HG1 THR A 5 -2.327 14.008 3.314 1.00 1.12 H new ATOM 0 HG21 THR A 5 0.040 13.740 3.446 1.00 0.99 H new ATOM 0 HG22 THR A 5 0.661 12.636 4.697 1.00 0.99 H new ATOM 0 HG23 THR A 5 -0.187 11.983 3.275 1.00 0.99 H new ATOM 60 N GLU A 6 -2.980 12.861 7.190 1.00 0.60 N ATOM 61 CA GLU A 6 -4.101 13.164 8.077 1.00 0.62 C ATOM 62 C GLU A 6 -5.365 13.500 7.287 1.00 0.55 C ATOM 63 O GLU A 6 -6.442 12.970 7.567 1.00 0.53 O ATOM 64 CB GLU A 6 -3.744 14.328 9.001 1.00 0.75 C ATOM 65 CG GLU A 6 -2.530 14.062 9.876 1.00 1.46 C ATOM 66 CD GLU A 6 -2.178 15.243 10.758 1.00 1.74 C ATOM 67 OE1 GLU A 6 -1.394 16.104 10.309 1.00 2.20 O ATOM 68 OE2 GLU A 6 -2.687 15.307 11.897 1.00 2.00 O ATOM 0 H GLU A 6 -2.198 13.512 7.263 1.00 0.60 H new ATOM 0 HA GLU A 6 -4.300 12.274 8.674 1.00 0.62 H new ATOM 0 HB2 GLU A 6 -3.558 15.216 8.397 1.00 0.75 H new ATOM 0 HB3 GLU A 6 -4.599 14.550 9.639 1.00 0.75 H new ATOM 0 HG2 GLU A 6 -2.722 13.190 10.502 1.00 1.46 H new ATOM 0 HG3 GLU A 6 -1.677 13.819 9.243 1.00 1.46 H new ATOM 75 N GLU A 7 -5.226 14.376 6.298 1.00 0.58 N ATOM 76 CA GLU A 7 -6.357 14.791 5.476 1.00 0.58 C ATOM 77 C GLU A 7 -6.865 13.634 4.627 1.00 0.48 C ATOM 78 O GLU A 7 -8.071 13.438 4.480 1.00 0.46 O ATOM 79 CB GLU A 7 -5.956 15.961 4.574 1.00 0.69 C ATOM 80 CG GLU A 7 -4.800 15.648 3.639 1.00 0.69 C ATOM 81 CD GLU A 7 -4.377 16.846 2.812 1.00 1.02 C ATOM 82 OE1 GLU A 7 -4.999 17.087 1.755 1.00 1.19 O ATOM 83 OE2 GLU A 7 -3.425 17.543 3.220 1.00 1.35 O ATOM 0 H GLU A 7 -4.340 14.813 6.046 1.00 0.58 H new ATOM 0 HA GLU A 7 -7.159 15.111 6.141 1.00 0.58 H new ATOM 0 HB2 GLU A 7 -6.819 16.262 3.981 1.00 0.69 H new ATOM 0 HB3 GLU A 7 -5.685 16.813 5.198 1.00 0.69 H new ATOM 0 HG2 GLU A 7 -3.950 15.297 4.224 1.00 0.69 H new ATOM 0 HG3 GLU A 7 -5.087 14.834 2.973 1.00 0.69 H new ATOM 90 N GLN A 8 -5.933 12.871 4.074 1.00 0.44 N ATOM 91 CA GLN A 8 -6.272 11.730 3.239 1.00 0.37 C ATOM 92 C GLN A 8 -7.005 10.662 4.043 1.00 0.31 C ATOM 93 O GLN A 8 -8.017 10.125 3.596 1.00 0.29 O ATOM 94 CB GLN A 8 -5.003 11.152 2.614 1.00 0.40 C ATOM 95 CG GLN A 8 -4.350 12.081 1.600 1.00 0.48 C ATOM 96 CD GLN A 8 -4.955 11.967 0.210 1.00 1.35 C ATOM 97 OE1 GLN A 8 -6.240 11.637 0.137 1.00 2.22 O flip ATOM 98 NE2 GLN A 8 -4.270 12.175 -0.792 1.00 1.68 N flip ATOM 0 H GLN A 8 -4.931 13.024 4.190 1.00 0.44 H new ATOM 0 HA GLN A 8 -6.939 12.067 2.446 1.00 0.37 H new ATOM 0 HB2 GLN A 8 -4.287 10.929 3.405 1.00 0.40 H new ATOM 0 HB3 GLN A 8 -5.245 10.207 2.127 1.00 0.40 H new ATOM 0 HG2 GLN A 8 -4.443 13.110 1.947 1.00 0.48 H new ATOM 0 HG3 GLN A 8 -3.284 11.858 1.545 1.00 0.48 H new ATOM 0 HE21 GLN A 8 -3.286 12.426 -0.694 1.00 1.68 H new ATOM 0 HE22 GLN A 8 -4.686 12.096 -1.720 1.00 1.68 H new ATOM 107 N ILE A 9 -6.491 10.359 5.232 1.00 0.33 N ATOM 108 CA ILE A 9 -7.111 9.361 6.094 1.00 0.33 C ATOM 109 C ILE A 9 -8.549 9.744 6.405 1.00 0.34 C ATOM 110 O ILE A 9 -9.465 8.943 6.229 1.00 0.36 O ATOM 111 CB ILE A 9 -6.326 9.172 7.411 1.00 0.42 C ATOM 112 CG1 ILE A 9 -5.023 8.416 7.139 1.00 0.44 C ATOM 113 CG2 ILE A 9 -7.172 8.429 8.439 1.00 0.51 C ATOM 114 CD1 ILE A 9 -4.133 8.283 8.354 1.00 0.54 C ATOM 0 H ILE A 9 -5.650 10.789 5.618 1.00 0.33 H new ATOM 0 HA ILE A 9 -7.097 8.415 5.553 1.00 0.33 H new ATOM 0 HB ILE A 9 -6.084 10.154 7.818 1.00 0.42 H new ATOM 0 HG12 ILE A 9 -5.262 7.421 6.764 1.00 0.44 H new ATOM 0 HG13 ILE A 9 -4.473 8.930 6.351 1.00 0.44 H new ATOM 0 HG21 ILE A 9 -6.601 8.306 9.359 1.00 0.51 H new ATOM 0 HG22 ILE A 9 -8.077 9.000 8.647 1.00 0.51 H new ATOM 0 HG23 ILE A 9 -7.444 7.449 8.047 1.00 0.51 H new ATOM 0 HD11 ILE A 9 -3.229 7.737 8.085 1.00 0.54 H new ATOM 0 HD12 ILE A 9 -3.863 9.274 8.717 1.00 0.54 H new ATOM 0 HD13 ILE A 9 -4.664 7.742 9.137 1.00 0.54 H new ATOM 126 N ALA A 10 -8.741 10.976 6.858 1.00 0.36 N ATOM 127 CA ALA A 10 -10.067 11.471 7.192 1.00 0.40 C ATOM 128 C ALA A 10 -10.940 11.594 5.946 1.00 0.35 C ATOM 129 O ALA A 10 -12.167 11.644 6.039 1.00 0.36 O ATOM 130 CB ALA A 10 -9.958 12.816 7.896 1.00 0.50 C ATOM 0 H ALA A 10 -7.991 11.652 7.002 1.00 0.36 H new ATOM 0 HA ALA A 10 -10.540 10.754 7.863 1.00 0.40 H new ATOM 0 HB1 ALA A 10 -10.956 13.180 8.143 1.00 0.50 H new ATOM 0 HB2 ALA A 10 -9.377 12.702 8.811 1.00 0.50 H new ATOM 0 HB3 ALA A 10 -9.463 13.531 7.239 1.00 0.50 H new ATOM 136 N GLU A 11 -10.300 11.635 4.780 1.00 0.33 N ATOM 137 CA GLU A 11 -11.020 11.767 3.518 1.00 0.33 C ATOM 138 C GLU A 11 -11.755 10.479 3.147 1.00 0.27 C ATOM 139 O GLU A 11 -12.975 10.489 2.958 1.00 0.28 O ATOM 140 CB GLU A 11 -10.054 12.161 2.398 1.00 0.37 C ATOM 141 CG GLU A 11 -10.731 12.361 1.053 1.00 0.41 C ATOM 142 CD GLU A 11 -9.759 12.779 -0.033 1.00 1.27 C ATOM 143 OE1 GLU A 11 -9.540 13.998 -0.198 1.00 1.19 O ATOM 144 OE2 GLU A 11 -9.215 11.887 -0.718 1.00 2.27 O ATOM 0 H GLU A 11 -9.286 11.579 4.684 1.00 0.33 H new ATOM 0 HA GLU A 11 -11.767 12.551 3.645 1.00 0.33 H new ATOM 0 HB2 GLU A 11 -9.542 13.082 2.678 1.00 0.37 H new ATOM 0 HB3 GLU A 11 -9.291 11.389 2.300 1.00 0.37 H new ATOM 0 HG2 GLU A 11 -11.224 11.435 0.757 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -11.508 13.119 1.151 1.00 0.41 H new ATOM 151 N PHE A 12 -11.027 9.368 3.055 1.00 0.23 N ATOM 152 CA PHE A 12 -11.653 8.099 2.700 1.00 0.22 C ATOM 153 C PHE A 12 -12.356 7.492 3.906 1.00 0.19 C ATOM 154 O PHE A 12 -13.285 6.700 3.754 1.00 0.20 O ATOM 155 CB PHE A 12 -10.640 7.114 2.101 1.00 0.26 C ATOM 156 CG PHE A 12 -9.530 6.708 3.027 1.00 0.25 C ATOM 157 CD1 PHE A 12 -9.740 5.761 4.018 1.00 0.31 C ATOM 158 CD2 PHE A 12 -8.269 7.261 2.891 1.00 0.27 C ATOM 159 CE1 PHE A 12 -8.712 5.380 4.857 1.00 0.37 C ATOM 160 CE2 PHE A 12 -7.240 6.884 3.728 1.00 0.30 C ATOM 161 CZ PHE A 12 -7.461 5.943 4.712 1.00 0.35 C ATOM 0 H PHE A 12 -10.021 9.321 3.218 1.00 0.23 H new ATOM 0 HA PHE A 12 -12.399 8.302 1.932 1.00 0.22 H new ATOM 0 HB2 PHE A 12 -11.172 6.218 1.780 1.00 0.26 H new ATOM 0 HB3 PHE A 12 -10.203 7.562 1.208 1.00 0.26 H new ATOM 0 HD1 PHE A 12 -10.718 5.317 4.135 1.00 0.31 H new ATOM 0 HD2 PHE A 12 -8.089 7.996 2.121 1.00 0.27 H new ATOM 0 HE1 PHE A 12 -8.887 4.642 5.626 1.00 0.37 H new ATOM 0 HE2 PHE A 12 -6.261 7.326 3.613 1.00 0.30 H new ATOM 0 HZ PHE A 12 -6.656 5.647 5.368 1.00 0.35 H new ATOM 171 N LYS A 13 -11.910 7.861 5.105 1.00 0.19 N ATOM 172 CA LYS A 13 -12.533 7.364 6.325 1.00 0.22 C ATOM 173 C LYS A 13 -13.948 7.917 6.425 1.00 0.21 C ATOM 174 O LYS A 13 -14.866 7.233 6.878 1.00 0.23 O ATOM 175 CB LYS A 13 -11.713 7.751 7.562 1.00 0.28 C ATOM 176 CG LYS A 13 -12.475 7.618 8.876 1.00 0.32 C ATOM 177 CD LYS A 13 -12.924 6.185 9.122 1.00 0.33 C ATOM 178 CE LYS A 13 -13.764 6.072 10.384 1.00 0.48 C ATOM 179 NZ LYS A 13 -12.990 6.434 11.603 1.00 1.23 N ATOM 0 H LYS A 13 -11.127 8.497 5.255 1.00 0.19 H new ATOM 0 HA LYS A 13 -12.570 6.275 6.285 1.00 0.22 H new ATOM 0 HB2 LYS A 13 -10.822 7.125 7.605 1.00 0.28 H new ATOM 0 HB3 LYS A 13 -11.374 8.781 7.453 1.00 0.28 H new ATOM 0 HG2 LYS A 13 -11.841 7.948 9.699 1.00 0.32 H new ATOM 0 HG3 LYS A 13 -13.345 8.275 8.861 1.00 0.32 H new ATOM 0 HD2 LYS A 13 -13.501 5.832 8.267 1.00 0.33 H new ATOM 0 HD3 LYS A 13 -12.050 5.539 9.206 1.00 0.33 H new ATOM 0 HE2 LYS A 13 -14.634 6.723 10.300 1.00 0.48 H new ATOM 0 HE3 LYS A 13 -14.137 5.053 10.481 1.00 0.48 H new ATOM 0 HZ1 LYS A 13 -13.546 6.199 12.450 1.00 1.23 H new ATOM 0 HZ2 LYS A 13 -12.096 5.902 11.617 1.00 1.23 H new ATOM 0 HZ3 LYS A 13 -12.786 7.454 11.594 1.00 1.23 H new ATOM 193 N ASP A 14 -14.113 9.167 6.000 1.00 0.23 N ATOM 194 CA ASP A 14 -15.420 9.803 6.007 1.00 0.25 C ATOM 195 C ASP A 14 -16.319 9.106 4.996 1.00 0.22 C ATOM 196 O ASP A 14 -17.437 8.701 5.312 1.00 0.23 O ATOM 197 CB ASP A 14 -15.298 11.291 5.672 1.00 0.31 C ATOM 198 CG ASP A 14 -16.620 12.023 5.795 1.00 0.37 C ATOM 199 OD1 ASP A 14 -17.023 12.332 6.936 1.00 0.44 O ATOM 200 OD2 ASP A 14 -17.251 12.288 4.750 1.00 0.41 O ATOM 0 H ASP A 14 -13.358 9.755 5.648 1.00 0.23 H new ATOM 0 HA ASP A 14 -15.855 9.717 7.003 1.00 0.25 H new ATOM 0 HB2 ASP A 14 -14.568 11.751 6.338 1.00 0.31 H new ATOM 0 HB3 ASP A 14 -14.918 11.402 4.656 1.00 0.31 H new ATOM 205 N ALA A 15 -15.809 8.959 3.776 1.00 0.22 N ATOM 206 CA ALA A 15 -16.549 8.292 2.713 1.00 0.24 C ATOM 207 C ALA A 15 -16.771 6.822 3.054 1.00 0.22 C ATOM 208 O ALA A 15 -17.591 6.145 2.436 1.00 0.29 O ATOM 209 CB ALA A 15 -15.804 8.420 1.393 1.00 0.27 C ATOM 0 H ALA A 15 -14.886 9.294 3.501 1.00 0.22 H new ATOM 0 HA ALA A 15 -17.522 8.774 2.615 1.00 0.24 H new ATOM 0 HB1 ALA A 15 -16.368 7.917 0.607 1.00 0.27 H new ATOM 0 HB2 ALA A 15 -15.690 9.474 1.140 1.00 0.27 H new ATOM 0 HB3 ALA A 15 -14.820 7.960 1.485 1.00 0.27 H new ATOM 215 N PHE A 16 -16.031 6.339 4.050 1.00 0.20 N ATOM 216 CA PHE A 16 -16.130 4.950 4.482 1.00 0.22 C ATOM 217 C PHE A 16 -17.339 4.754 5.387 1.00 0.22 C ATOM 218 O PHE A 16 -18.121 3.821 5.200 1.00 0.25 O ATOM 219 CB PHE A 16 -14.845 4.543 5.213 1.00 0.26 C ATOM 220 CG PHE A 16 -14.874 3.160 5.805 1.00 0.31 C ATOM 221 CD1 PHE A 16 -14.537 2.056 5.038 1.00 0.38 C ATOM 222 CD2 PHE A 16 -15.224 2.967 7.132 1.00 0.37 C ATOM 223 CE1 PHE A 16 -14.550 0.786 5.583 1.00 0.46 C ATOM 224 CE2 PHE A 16 -15.238 1.700 7.683 1.00 0.45 C ATOM 225 CZ PHE A 16 -14.900 0.608 6.908 1.00 0.48 C ATOM 0 H PHE A 16 -15.354 6.893 4.574 1.00 0.20 H new ATOM 0 HA PHE A 16 -16.257 4.317 3.604 1.00 0.22 H new ATOM 0 HB2 PHE A 16 -14.010 4.608 4.516 1.00 0.26 H new ATOM 0 HB3 PHE A 16 -14.652 5.261 6.010 1.00 0.26 H new ATOM 0 HD1 PHE A 16 -14.261 2.190 4.002 1.00 0.38 H new ATOM 0 HD2 PHE A 16 -15.489 3.817 7.743 1.00 0.37 H new ATOM 0 HE1 PHE A 16 -14.287 -0.066 4.974 1.00 0.46 H new ATOM 0 HE2 PHE A 16 -15.513 1.564 8.718 1.00 0.45 H new ATOM 0 HZ PHE A 16 -14.909 -0.383 7.337 1.00 0.48 H new ATOM 235 N VAL A 17 -17.487 5.639 6.365 1.00 0.22 N ATOM 236 CA VAL A 17 -18.607 5.565 7.289 1.00 0.23 C ATOM 237 C VAL A 17 -19.906 5.914 6.574 1.00 0.23 C ATOM 238 O VAL A 17 -20.994 5.564 7.031 1.00 0.26 O ATOM 239 CB VAL A 17 -18.414 6.506 8.495 1.00 0.30 C ATOM 240 CG1 VAL A 17 -17.204 6.083 9.312 1.00 1.11 C ATOM 241 CG2 VAL A 17 -18.276 7.949 8.037 1.00 0.91 C ATOM 0 H VAL A 17 -16.846 6.414 6.537 1.00 0.22 H new ATOM 0 HA VAL A 17 -18.656 4.541 7.660 1.00 0.23 H new ATOM 0 HB VAL A 17 -19.298 6.436 9.129 1.00 0.30 H new ATOM 0 HG11 VAL A 17 -17.083 6.758 10.159 1.00 1.11 H new ATOM 0 HG12 VAL A 17 -17.349 5.066 9.676 1.00 1.11 H new ATOM 0 HG13 VAL A 17 -16.312 6.121 8.687 1.00 1.11 H new ATOM 0 HG21 VAL A 17 -18.141 8.595 8.905 1.00 0.91 H new ATOM 0 HG22 VAL A 17 -17.412 8.041 7.378 1.00 0.91 H new ATOM 0 HG23 VAL A 17 -19.176 8.248 7.499 1.00 0.91 H new ATOM 251 N GLN A 18 -19.776 6.607 5.445 1.00 0.24 N ATOM 252 CA GLN A 18 -20.933 7.000 4.649 1.00 0.29 C ATOM 253 C GLN A 18 -21.732 5.778 4.204 1.00 0.32 C ATOM 254 O GLN A 18 -22.959 5.825 4.124 1.00 0.43 O ATOM 255 CB GLN A 18 -20.492 7.796 3.419 1.00 0.33 C ATOM 256 CG GLN A 18 -20.057 9.218 3.733 1.00 0.34 C ATOM 257 CD GLN A 18 -19.638 9.987 2.495 1.00 1.09 C ATOM 258 OE1 GLN A 18 -20.143 9.745 1.398 1.00 1.54 O ATOM 259 NE2 GLN A 18 -18.708 10.919 2.665 1.00 1.60 N ATOM 0 H GLN A 18 -18.880 6.907 5.062 1.00 0.24 H new ATOM 0 HA GLN A 18 -21.569 7.626 5.275 1.00 0.29 H new ATOM 0 HB2 GLN A 18 -19.668 7.272 2.935 1.00 0.33 H new ATOM 0 HB3 GLN A 18 -21.314 7.827 2.704 1.00 0.33 H new ATOM 0 HG2 GLN A 18 -20.876 9.744 4.223 1.00 0.34 H new ATOM 0 HG3 GLN A 18 -19.227 9.192 4.439 1.00 0.34 H new ATOM 0 HE21 GLN A 18 -18.317 11.086 3.592 1.00 1.60 H new ATOM 0 HE22 GLN A 18 -18.385 11.468 1.869 1.00 1.60 H new ATOM 268 N PHE A 19 -21.027 4.686 3.915 1.00 0.28 N ATOM 269 CA PHE A 19 -21.678 3.458 3.468 1.00 0.33 C ATOM 270 C PHE A 19 -21.690 2.399 4.567 1.00 0.35 C ATOM 271 O PHE A 19 -21.408 1.227 4.313 1.00 0.64 O ATOM 272 CB PHE A 19 -20.977 2.910 2.224 1.00 0.36 C ATOM 273 CG PHE A 19 -20.960 3.870 1.069 1.00 0.37 C ATOM 274 CD1 PHE A 19 -22.022 3.923 0.180 1.00 0.48 C ATOM 275 CD2 PHE A 19 -19.884 4.721 0.874 1.00 0.41 C ATOM 276 CE1 PHE A 19 -22.009 4.805 -0.884 1.00 0.54 C ATOM 277 CE2 PHE A 19 -19.866 5.606 -0.188 1.00 0.44 C ATOM 278 CZ PHE A 19 -20.930 5.648 -1.067 1.00 0.47 C ATOM 0 H PHE A 19 -20.011 4.627 3.982 1.00 0.28 H new ATOM 0 HA PHE A 19 -22.712 3.701 3.223 1.00 0.33 H new ATOM 0 HB2 PHE A 19 -19.951 2.647 2.482 1.00 0.36 H new ATOM 0 HB3 PHE A 19 -21.473 1.990 1.914 1.00 0.36 H new ATOM 0 HD1 PHE A 19 -22.869 3.268 0.320 1.00 0.48 H new ATOM 0 HD2 PHE A 19 -19.050 4.693 1.559 1.00 0.41 H new ATOM 0 HE1 PHE A 19 -22.841 4.835 -1.572 1.00 0.54 H new ATOM 0 HE2 PHE A 19 -19.021 6.263 -0.330 1.00 0.44 H new ATOM 0 HZ PHE A 19 -20.919 6.339 -1.897 1.00 0.47 H new ATOM 288 N ASP A 20 -22.017 2.814 5.786 1.00 0.29 N ATOM 289 CA ASP A 20 -22.074 1.891 6.915 1.00 0.28 C ATOM 290 C ASP A 20 -23.330 2.131 7.745 1.00 0.37 C ATOM 291 O ASP A 20 -23.262 2.628 8.870 1.00 0.44 O ATOM 292 CB ASP A 20 -20.827 2.025 7.790 1.00 0.25 C ATOM 293 CG ASP A 20 -20.804 1.009 8.916 1.00 0.27 C ATOM 294 OD1 ASP A 20 -20.878 -0.204 8.624 1.00 0.29 O ATOM 295 OD2 ASP A 20 -20.715 1.426 10.090 1.00 0.33 O ATOM 0 H ASP A 20 -22.246 3.781 6.018 1.00 0.29 H new ATOM 0 HA ASP A 20 -22.109 0.876 6.518 1.00 0.28 H new ATOM 0 HB2 ASP A 20 -19.937 1.901 7.173 1.00 0.25 H new ATOM 0 HB3 ASP A 20 -20.786 3.030 8.209 1.00 0.25 H new ATOM 300 N LYS A 21 -24.477 1.776 7.178 1.00 0.47 N ATOM 301 CA LYS A 21 -25.757 1.947 7.855 1.00 0.59 C ATOM 302 C LYS A 21 -25.976 0.848 8.890 1.00 0.64 C ATOM 303 O LYS A 21 -26.705 1.035 9.865 1.00 0.83 O ATOM 304 CB LYS A 21 -26.903 1.932 6.840 1.00 0.68 C ATOM 305 CG LYS A 21 -26.994 3.195 5.994 1.00 1.02 C ATOM 306 CD LYS A 21 -25.837 3.302 5.012 1.00 1.14 C ATOM 307 CE LYS A 21 -25.947 4.555 4.159 1.00 1.67 C ATOM 308 NZ LYS A 21 -27.206 4.574 3.363 1.00 2.10 N ATOM 0 H LYS A 21 -24.547 1.366 6.247 1.00 0.47 H new ATOM 0 HA LYS A 21 -25.741 2.910 8.365 1.00 0.59 H new ATOM 0 HB2 LYS A 21 -26.780 1.073 6.181 1.00 0.68 H new ATOM 0 HB3 LYS A 21 -27.844 1.794 7.372 1.00 0.68 H new ATOM 0 HG2 LYS A 21 -27.937 3.199 5.447 1.00 1.02 H new ATOM 0 HG3 LYS A 21 -27.000 4.069 6.645 1.00 1.02 H new ATOM 0 HD2 LYS A 21 -24.894 3.314 5.559 1.00 1.14 H new ATOM 0 HD3 LYS A 21 -25.821 2.422 4.369 1.00 1.14 H new ATOM 0 HE2 LYS A 21 -25.909 5.436 4.800 1.00 1.67 H new ATOM 0 HE3 LYS A 21 -25.091 4.613 3.487 1.00 1.67 H new ATOM 0 HZ1 LYS A 21 -27.128 5.284 2.607 1.00 2.10 H new ATOM 0 HZ2 LYS A 21 -27.365 3.636 2.943 1.00 2.10 H new ATOM 0 HZ3 LYS A 21 -28.005 4.816 3.983 1.00 2.10 H new ATOM 322 N GLU A 22 -25.342 -0.296 8.667 1.00 0.58 N ATOM 323 CA GLU A 22 -25.467 -1.433 9.569 1.00 0.63 C ATOM 324 C GLU A 22 -24.761 -1.166 10.895 1.00 0.60 C ATOM 325 O GLU A 22 -24.936 -1.908 11.861 1.00 0.80 O ATOM 326 CB GLU A 22 -24.893 -2.686 8.908 1.00 0.62 C ATOM 327 CG GLU A 22 -25.478 -2.960 7.530 1.00 0.71 C ATOM 328 CD GLU A 22 -26.948 -3.325 7.580 1.00 0.98 C ATOM 329 OE1 GLU A 22 -27.258 -4.528 7.713 1.00 0.96 O ATOM 330 OE2 GLU A 22 -27.791 -2.407 7.487 1.00 1.80 O ATOM 0 H GLU A 22 -24.733 -0.461 7.865 1.00 0.58 H new ATOM 0 HA GLU A 22 -26.525 -1.589 9.778 1.00 0.63 H new ATOM 0 HB2 GLU A 22 -23.812 -2.580 8.822 1.00 0.62 H new ATOM 0 HB3 GLU A 22 -25.079 -3.546 9.552 1.00 0.62 H new ATOM 0 HG2 GLU A 22 -25.348 -2.078 6.903 1.00 0.71 H new ATOM 0 HG3 GLU A 22 -24.922 -3.771 7.059 1.00 0.71 H new ATOM 337 N GLY A 23 -23.967 -0.100 10.933 1.00 0.45 N ATOM 338 CA GLY A 23 -23.251 0.253 12.147 1.00 0.46 C ATOM 339 C GLY A 23 -22.195 -0.767 12.527 1.00 0.39 C ATOM 340 O GLY A 23 -21.725 -0.788 13.664 1.00 0.45 O ATOM 0 H GLY A 23 -23.806 0.526 10.144 1.00 0.45 H new ATOM 0 HA2 GLY A 23 -22.778 1.226 12.014 1.00 0.46 H new ATOM 0 HA3 GLY A 23 -23.963 0.354 12.966 1.00 0.46 H new ATOM 344 N THR A 24 -21.818 -1.613 11.573 1.00 0.34 N ATOM 345 CA THR A 24 -20.810 -2.639 11.815 1.00 0.30 C ATOM 346 C THR A 24 -19.411 -2.123 11.496 1.00 0.28 C ATOM 347 O THR A 24 -18.444 -2.886 11.492 1.00 0.29 O ATOM 348 CB THR A 24 -21.081 -3.902 10.975 1.00 0.32 C ATOM 349 OG1 THR A 24 -21.143 -3.561 9.585 1.00 0.33 O ATOM 350 CG2 THR A 24 -22.384 -4.565 11.398 1.00 0.40 C ATOM 0 H THR A 24 -22.195 -1.608 10.625 1.00 0.34 H new ATOM 0 HA THR A 24 -20.868 -2.894 12.873 1.00 0.30 H new ATOM 0 HB THR A 24 -20.264 -4.604 11.141 1.00 0.32 H new ATOM 0 HG21 THR A 24 -22.554 -5.454 10.791 1.00 0.40 H new ATOM 0 HG22 THR A 24 -22.323 -4.849 12.449 1.00 0.40 H new ATOM 0 HG23 THR A 24 -23.210 -3.867 11.258 1.00 0.40 H new ATOM 358 N GLY A 25 -19.309 -0.823 11.228 1.00 0.30 N ATOM 359 CA GLY A 25 -18.025 -0.228 10.905 1.00 0.32 C ATOM 360 C GLY A 25 -17.380 -0.882 9.701 1.00 0.28 C ATOM 361 O GLY A 25 -16.171 -0.774 9.497 1.00 0.33 O ATOM 0 H GLY A 25 -20.094 -0.172 11.229 1.00 0.30 H new ATOM 0 HA2 GLY A 25 -18.158 0.836 10.711 1.00 0.32 H new ATOM 0 HA3 GLY A 25 -17.360 -0.315 11.764 1.00 0.32 H new ATOM 365 N LYS A 26 -18.194 -1.566 8.904 1.00 0.22 N ATOM 366 CA LYS A 26 -17.707 -2.249 7.713 1.00 0.19 C ATOM 367 C LYS A 26 -18.523 -1.863 6.483 1.00 0.20 C ATOM 368 O LYS A 26 -19.685 -1.471 6.592 1.00 0.23 O ATOM 369 CB LYS A 26 -17.756 -3.765 7.919 1.00 0.20 C ATOM 370 CG LYS A 26 -16.585 -4.308 8.725 1.00 0.25 C ATOM 371 CD LYS A 26 -16.181 -5.695 8.252 1.00 0.62 C ATOM 372 CE LYS A 26 -17.135 -6.765 8.746 1.00 0.62 C ATOM 373 NZ LYS A 26 -17.185 -6.827 10.233 1.00 1.10 N ATOM 0 H LYS A 26 -19.197 -1.662 9.063 1.00 0.22 H new ATOM 0 HA LYS A 26 -16.675 -1.941 7.546 1.00 0.19 H new ATOM 0 HB2 LYS A 26 -18.686 -4.025 8.425 1.00 0.20 H new ATOM 0 HB3 LYS A 26 -17.775 -4.255 6.946 1.00 0.20 H new ATOM 0 HG2 LYS A 26 -15.736 -3.630 8.637 1.00 0.25 H new ATOM 0 HG3 LYS A 26 -16.855 -4.346 9.780 1.00 0.25 H new ATOM 0 HD2 LYS A 26 -16.151 -5.712 7.163 1.00 0.62 H new ATOM 0 HD3 LYS A 26 -15.173 -5.918 8.603 1.00 0.62 H new ATOM 0 HE2 LYS A 26 -18.134 -6.567 8.358 1.00 0.62 H new ATOM 0 HE3 LYS A 26 -16.827 -7.734 8.353 1.00 0.62 H new ATOM 0 HZ1 LYS A 26 -17.543 -7.757 10.530 1.00 1.10 H new ATOM 0 HZ2 LYS A 26 -16.230 -6.685 10.619 1.00 1.10 H new ATOM 0 HZ3 LYS A 26 -17.817 -6.082 10.590 1.00 1.10 H new ATOM 387 N ILE A 27 -17.903 -1.974 5.310 1.00 0.22 N ATOM 388 CA ILE A 27 -18.569 -1.647 4.053 1.00 0.26 C ATOM 389 C ILE A 27 -18.601 -2.858 3.125 1.00 0.24 C ATOM 390 O ILE A 27 -17.578 -3.497 2.892 1.00 0.25 O ATOM 391 CB ILE A 27 -17.871 -0.477 3.333 1.00 0.34 C ATOM 392 CG1 ILE A 27 -16.403 -0.815 3.056 1.00 0.40 C ATOM 393 CG2 ILE A 27 -17.983 0.794 4.163 1.00 0.33 C ATOM 394 CD1 ILE A 27 -15.703 0.197 2.177 1.00 0.50 C ATOM 0 H ILE A 27 -16.938 -2.289 5.205 1.00 0.22 H new ATOM 0 HA ILE A 27 -19.589 -1.350 4.299 1.00 0.26 H new ATOM 0 HB ILE A 27 -18.367 -0.310 2.377 1.00 0.34 H new ATOM 0 HG12 ILE A 27 -15.871 -0.889 4.004 1.00 0.40 H new ATOM 0 HG13 ILE A 27 -16.348 -1.795 2.582 1.00 0.40 H new ATOM 0 HG21 ILE A 27 -17.486 1.613 3.643 1.00 0.33 H new ATOM 0 HG22 ILE A 27 -19.034 1.042 4.309 1.00 0.33 H new ATOM 0 HG23 ILE A 27 -17.509 0.639 5.132 1.00 0.33 H new ATOM 0 HD11 ILE A 27 -14.668 -0.108 2.024 1.00 0.50 H new ATOM 0 HD12 ILE A 27 -16.210 0.255 1.214 1.00 0.50 H new ATOM 0 HD13 ILE A 27 -15.726 1.175 2.658 1.00 0.50 H new ATOM 406 N ALA A 28 -19.780 -3.176 2.607 1.00 0.26 N ATOM 407 CA ALA A 28 -19.932 -4.313 1.706 1.00 0.26 C ATOM 408 C ALA A 28 -18.947 -4.223 0.547 1.00 0.23 C ATOM 409 O ALA A 28 -18.769 -3.160 -0.048 1.00 0.25 O ATOM 410 CB ALA A 28 -21.360 -4.392 1.187 1.00 0.30 C ATOM 0 H ALA A 28 -20.643 -2.665 2.794 1.00 0.26 H new ATOM 0 HA ALA A 28 -19.715 -5.223 2.266 1.00 0.26 H new ATOM 0 HB1 ALA A 28 -21.457 -5.246 0.516 1.00 0.30 H new ATOM 0 HB2 ALA A 28 -22.046 -4.510 2.026 1.00 0.30 H new ATOM 0 HB3 ALA A 28 -21.602 -3.477 0.647 1.00 0.30 H new ATOM 416 N THR A 29 -18.300 -5.345 0.240 1.00 0.27 N ATOM 417 CA THR A 29 -17.330 -5.402 -0.847 1.00 0.30 C ATOM 418 C THR A 29 -17.988 -5.066 -2.180 1.00 0.29 C ATOM 419 O THR A 29 -17.310 -4.754 -3.159 1.00 0.39 O ATOM 420 CB THR A 29 -16.676 -6.793 -0.944 1.00 0.37 C ATOM 421 OG1 THR A 29 -15.776 -6.836 -2.058 1.00 1.03 O ATOM 422 CG2 THR A 29 -17.732 -7.878 -1.096 1.00 0.96 C ATOM 0 H THR A 29 -18.432 -6.229 0.732 1.00 0.27 H new ATOM 0 HA THR A 29 -16.559 -4.664 -0.627 1.00 0.30 H new ATOM 0 HB THR A 29 -16.121 -6.974 -0.023 1.00 0.37 H new ATOM 0 HG1 THR A 29 -14.882 -6.559 -1.767 1.00 1.03 H new ATOM 0 HG21 THR A 29 -17.246 -8.852 -1.163 1.00 0.96 H new ATOM 0 HG22 THR A 29 -18.397 -7.862 -0.232 1.00 0.96 H new ATOM 0 HG23 THR A 29 -18.310 -7.698 -2.002 1.00 0.96 H new ATOM 430 N ARG A 30 -19.314 -5.136 -2.206 1.00 0.25 N ATOM 431 CA ARG A 30 -20.077 -4.836 -3.411 1.00 0.29 C ATOM 432 C ARG A 30 -20.199 -3.328 -3.604 1.00 0.28 C ATOM 433 O ARG A 30 -20.484 -2.849 -4.703 1.00 0.44 O ATOM 434 CB ARG A 30 -21.466 -5.469 -3.318 1.00 0.35 C ATOM 435 CG ARG A 30 -21.433 -6.960 -3.018 1.00 0.43 C ATOM 436 CD ARG A 30 -22.738 -7.432 -2.397 1.00 0.83 C ATOM 437 NE ARG A 30 -22.749 -8.876 -2.175 1.00 1.56 N ATOM 438 CZ ARG A 30 -23.856 -9.580 -1.949 1.00 2.17 C ATOM 439 NH1 ARG A 30 -25.035 -8.975 -1.915 1.00 2.25 N ATOM 440 NH2 ARG A 30 -23.784 -10.890 -1.758 1.00 3.08 N ATOM 0 H ARG A 30 -19.885 -5.399 -1.403 1.00 0.25 H new ATOM 0 HA ARG A 30 -19.552 -5.253 -4.271 1.00 0.29 H new ATOM 0 HB2 ARG A 30 -22.036 -4.962 -2.540 1.00 0.35 H new ATOM 0 HB3 ARG A 30 -21.994 -5.307 -4.257 1.00 0.35 H new ATOM 0 HG2 ARG A 30 -21.246 -7.513 -3.938 1.00 0.43 H new ATOM 0 HG3 ARG A 30 -20.607 -7.178 -2.341 1.00 0.43 H new ATOM 0 HD2 ARG A 30 -22.894 -6.918 -1.448 1.00 0.83 H new ATOM 0 HD3 ARG A 30 -23.569 -7.159 -3.048 1.00 0.83 H new ATOM 0 HE ARG A 30 -21.858 -9.373 -2.194 1.00 1.56 H new ATOM 0 HH11 ARG A 30 -25.096 -7.968 -2.062 1.00 2.25 H new ATOM 0 HH12 ARG A 30 -25.882 -9.517 -1.742 1.00 2.25 H new ATOM 0 HH21 ARG A 30 -22.879 -11.360 -1.784 1.00 3.08 H new ATOM 0 HH22 ARG A 30 -24.633 -11.428 -1.585 1.00 3.08 H new ATOM 454 N GLU A 31 -19.978 -2.590 -2.522 1.00 0.22 N ATOM 455 CA GLU A 31 -20.054 -1.136 -2.551 1.00 0.23 C ATOM 456 C GLU A 31 -18.670 -0.523 -2.711 1.00 0.21 C ATOM 457 O GLU A 31 -18.524 0.696 -2.792 1.00 0.21 O ATOM 458 CB GLU A 31 -20.705 -0.620 -1.279 1.00 0.30 C ATOM 459 CG GLU A 31 -22.214 -0.789 -1.258 1.00 0.32 C ATOM 460 CD GLU A 31 -22.893 -0.129 -2.443 1.00 1.30 C ATOM 461 OE1 GLU A 31 -23.024 1.113 -2.436 1.00 1.40 O ATOM 462 OE2 GLU A 31 -23.294 -0.855 -3.377 1.00 2.26 O ATOM 0 H GLU A 31 -19.743 -2.979 -1.609 1.00 0.22 H new ATOM 0 HA GLU A 31 -20.661 -0.844 -3.408 1.00 0.23 H new ATOM 0 HB2 GLU A 31 -20.277 -1.143 -0.424 1.00 0.30 H new ATOM 0 HB3 GLU A 31 -20.464 0.436 -1.160 1.00 0.30 H new ATOM 0 HG2 GLU A 31 -22.457 -1.852 -1.251 1.00 0.32 H new ATOM 0 HG3 GLU A 31 -22.610 -0.365 -0.335 1.00 0.32 H new ATOM 469 N LEU A 32 -17.655 -1.382 -2.752 1.00 0.21 N ATOM 470 CA LEU A 32 -16.275 -0.935 -2.901 1.00 0.24 C ATOM 471 C LEU A 32 -16.113 -0.072 -4.147 1.00 0.23 C ATOM 472 O LEU A 32 -15.630 1.059 -4.070 1.00 0.25 O ATOM 473 CB LEU A 32 -15.337 -2.144 -2.971 1.00 0.29 C ATOM 474 CG LEU A 32 -13.911 -1.908 -2.457 1.00 0.44 C ATOM 475 CD1 LEU A 32 -13.178 -0.894 -3.323 1.00 1.04 C ATOM 476 CD2 LEU A 32 -13.935 -1.449 -1.008 1.00 1.37 C ATOM 0 H LEU A 32 -17.764 -2.394 -2.684 1.00 0.21 H new ATOM 0 HA LEU A 32 -16.015 -0.330 -2.032 1.00 0.24 H new ATOM 0 HB2 LEU A 32 -15.780 -2.959 -2.398 1.00 0.29 H new ATOM 0 HB3 LEU A 32 -15.280 -2.477 -4.007 1.00 0.29 H new ATOM 0 HG LEU A 32 -13.373 -2.854 -2.514 1.00 0.44 H new ATOM 0 HD11 LEU A 32 -12.170 -0.746 -2.936 1.00 1.04 H new ATOM 0 HD12 LEU A 32 -13.123 -1.263 -4.347 1.00 1.04 H new ATOM 0 HD13 LEU A 32 -13.716 0.054 -3.307 1.00 1.04 H new ATOM 0 HD21 LEU A 32 -12.915 -1.287 -0.661 1.00 1.37 H new ATOM 0 HD22 LEU A 32 -14.497 -0.518 -0.930 1.00 1.37 H new ATOM 0 HD23 LEU A 32 -14.411 -2.212 -0.392 1.00 1.37 H new ATOM 488 N GLY A 33 -16.518 -0.610 -5.295 1.00 0.25 N ATOM 489 CA GLY A 33 -16.411 0.132 -6.539 1.00 0.28 C ATOM 490 C GLY A 33 -17.124 1.467 -6.471 1.00 0.27 C ATOM 491 O GLY A 33 -16.631 2.469 -6.990 1.00 0.32 O ATOM 0 H GLY A 33 -16.917 -1.544 -5.385 1.00 0.25 H new ATOM 0 HA2 GLY A 33 -15.359 0.295 -6.774 1.00 0.28 H new ATOM 0 HA3 GLY A 33 -16.831 -0.461 -7.351 1.00 0.28 H new ATOM 495 N THR A 34 -18.286 1.480 -5.825 1.00 0.23 N ATOM 496 CA THR A 34 -19.067 2.700 -5.680 1.00 0.24 C ATOM 497 C THR A 34 -18.324 3.714 -4.822 1.00 0.22 C ATOM 498 O THR A 34 -18.390 4.921 -5.065 1.00 0.23 O ATOM 499 CB THR A 34 -20.439 2.414 -5.044 1.00 0.26 C ATOM 500 OG1 THR A 34 -21.114 1.385 -5.778 1.00 0.31 O ATOM 501 CG2 THR A 34 -21.297 3.669 -5.020 1.00 0.29 C ATOM 0 H THR A 34 -18.707 0.657 -5.394 1.00 0.23 H new ATOM 0 HA THR A 34 -19.219 3.107 -6.680 1.00 0.24 H new ATOM 0 HB THR A 34 -20.277 2.083 -4.018 1.00 0.26 H new ATOM 0 HG1 THR A 34 -21.985 1.207 -5.366 1.00 0.31 H new ATOM 0 HG21 THR A 34 -22.262 3.442 -4.566 1.00 0.29 H new ATOM 0 HG22 THR A 34 -20.795 4.442 -4.438 1.00 0.29 H new ATOM 0 HG23 THR A 34 -21.450 4.024 -6.039 1.00 0.29 H new ATOM 509 N LEU A 35 -17.613 3.214 -3.818 1.00 0.22 N ATOM 510 CA LEU A 35 -16.855 4.073 -2.919 1.00 0.24 C ATOM 511 C LEU A 35 -15.678 4.713 -3.650 1.00 0.25 C ATOM 512 O LEU A 35 -15.332 5.866 -3.395 1.00 0.29 O ATOM 513 CB LEU A 35 -16.364 3.275 -1.708 1.00 0.29 C ATOM 514 CG LEU A 35 -15.569 4.075 -0.673 1.00 0.42 C ATOM 515 CD1 LEU A 35 -16.319 5.338 -0.272 1.00 1.24 C ATOM 516 CD2 LEU A 35 -15.289 3.217 0.550 1.00 1.16 C ATOM 0 H LEU A 35 -17.546 2.218 -3.607 1.00 0.22 H new ATOM 0 HA LEU A 35 -17.512 4.869 -2.568 1.00 0.24 H new ATOM 0 HB2 LEU A 35 -17.227 2.830 -1.213 1.00 0.29 H new ATOM 0 HB3 LEU A 35 -15.742 2.454 -2.063 1.00 0.29 H new ATOM 0 HG LEU A 35 -14.621 4.370 -1.122 1.00 0.42 H new ATOM 0 HD11 LEU A 35 -15.735 5.890 0.464 1.00 1.24 H new ATOM 0 HD12 LEU A 35 -16.477 5.962 -1.152 1.00 1.24 H new ATOM 0 HD13 LEU A 35 -17.283 5.067 0.159 1.00 1.24 H new ATOM 0 HD21 LEU A 35 -14.723 3.797 1.279 1.00 1.16 H new ATOM 0 HD22 LEU A 35 -16.232 2.897 0.994 1.00 1.16 H new ATOM 0 HD23 LEU A 35 -14.711 2.341 0.255 1.00 1.16 H new ATOM 528 N MET A 36 -15.066 3.956 -4.557 1.00 0.28 N ATOM 529 CA MET A 36 -13.940 4.461 -5.336 1.00 0.32 C ATOM 530 C MET A 36 -14.385 5.640 -6.185 1.00 0.30 C ATOM 531 O MET A 36 -13.674 6.634 -6.307 1.00 0.40 O ATOM 532 CB MET A 36 -13.369 3.363 -6.230 1.00 0.45 C ATOM 533 CG MET A 36 -12.597 2.305 -5.467 1.00 0.51 C ATOM 534 SD MET A 36 -11.142 2.977 -4.646 1.00 1.10 S ATOM 535 CE MET A 36 -10.492 1.504 -3.868 1.00 0.69 C ATOM 0 H MET A 36 -15.330 2.994 -4.770 1.00 0.28 H new ATOM 0 HA MET A 36 -13.161 4.787 -4.647 1.00 0.32 H new ATOM 0 HB2 MET A 36 -14.185 2.886 -6.773 1.00 0.45 H new ATOM 0 HB3 MET A 36 -12.713 3.815 -6.974 1.00 0.45 H new ATOM 0 HG2 MET A 36 -13.251 1.846 -4.725 1.00 0.51 H new ATOM 0 HG3 MET A 36 -12.291 1.516 -6.154 1.00 0.51 H new ATOM 0 HE1 MET A 36 -9.566 1.746 -3.347 1.00 0.69 H new ATOM 0 HE2 MET A 36 -11.220 1.118 -3.154 1.00 0.69 H new ATOM 0 HE3 MET A 36 -10.293 0.749 -4.628 1.00 0.69 H new ATOM 545 N ARG A 37 -15.564 5.511 -6.778 1.00 0.30 N ATOM 546 CA ARG A 37 -16.125 6.571 -7.605 1.00 0.34 C ATOM 547 C ARG A 37 -16.390 7.803 -6.750 1.00 0.33 C ATOM 548 O ARG A 37 -16.274 8.938 -7.213 1.00 0.43 O ATOM 549 CB ARG A 37 -17.423 6.104 -8.266 1.00 0.44 C ATOM 550 CG ARG A 37 -17.256 4.877 -9.146 1.00 0.64 C ATOM 551 CD ARG A 37 -18.592 4.401 -9.693 1.00 0.70 C ATOM 552 NE ARG A 37 -18.452 3.196 -10.507 1.00 1.40 N ATOM 553 CZ ARG A 37 -19.459 2.628 -11.166 1.00 1.73 C ATOM 554 NH1 ARG A 37 -20.678 3.149 -11.102 1.00 1.52 N ATOM 555 NH2 ARG A 37 -19.247 1.539 -11.891 1.00 2.69 N ATOM 0 H ARG A 37 -16.152 4.681 -6.702 1.00 0.30 H new ATOM 0 HA ARG A 37 -15.409 6.822 -8.388 1.00 0.34 H new ATOM 0 HB2 ARG A 37 -18.157 5.886 -7.490 1.00 0.44 H new ATOM 0 HB3 ARG A 37 -17.827 6.918 -8.867 1.00 0.44 H new ATOM 0 HG2 ARG A 37 -16.584 5.109 -9.973 1.00 0.64 H new ATOM 0 HG3 ARG A 37 -16.790 4.076 -8.572 1.00 0.64 H new ATOM 0 HD2 ARG A 37 -19.273 4.202 -8.865 1.00 0.70 H new ATOM 0 HD3 ARG A 37 -19.041 5.193 -10.292 1.00 0.70 H new ATOM 0 HE ARG A 37 -17.530 2.765 -10.574 1.00 1.40 H new ATOM 0 HH11 ARG A 37 -20.846 3.988 -10.546 1.00 1.52 H new ATOM 0 HH12 ARG A 37 -21.447 2.711 -11.609 1.00 1.52 H new ATOM 0 HH21 ARG A 37 -18.312 1.136 -11.944 1.00 2.69 H new ATOM 0 HH22 ARG A 37 -20.019 1.104 -12.396 1.00 2.69 H new ATOM 569 N THR A 38 -16.750 7.557 -5.496 1.00 0.31 N ATOM 570 CA THR A 38 -17.026 8.617 -4.545 1.00 0.39 C ATOM 571 C THR A 38 -15.728 9.302 -4.120 1.00 0.36 C ATOM 572 O THR A 38 -15.736 10.419 -3.595 1.00 0.43 O ATOM 573 CB THR A 38 -17.761 8.041 -3.315 1.00 0.50 C ATOM 574 OG1 THR A 38 -19.148 7.855 -3.617 1.00 1.06 O ATOM 575 CG2 THR A 38 -17.622 8.944 -2.103 1.00 0.61 C ATOM 0 H THR A 38 -16.858 6.617 -5.114 1.00 0.31 H new ATOM 0 HA THR A 38 -17.666 9.361 -5.020 1.00 0.39 H new ATOM 0 HB THR A 38 -17.302 7.082 -3.076 1.00 0.50 H new ATOM 0 HG1 THR A 38 -19.269 7.005 -4.089 1.00 1.06 H new ATOM 0 HG21 THR A 38 -18.153 8.504 -1.259 1.00 0.61 H new ATOM 0 HG22 THR A 38 -16.567 9.055 -1.851 1.00 0.61 H new ATOM 0 HG23 THR A 38 -18.046 9.923 -2.328 1.00 0.61 H new ATOM 583 N LEU A 39 -14.613 8.632 -4.380 1.00 0.30 N ATOM 584 CA LEU A 39 -13.297 9.153 -4.031 1.00 0.33 C ATOM 585 C LEU A 39 -12.486 9.451 -5.288 1.00 0.33 C ATOM 586 O LEU A 39 -12.758 8.909 -6.357 1.00 0.31 O ATOM 587 CB LEU A 39 -12.548 8.155 -3.147 1.00 0.38 C ATOM 588 CG LEU A 39 -13.194 7.881 -1.788 1.00 0.64 C ATOM 589 CD1 LEU A 39 -12.464 6.761 -1.068 1.00 1.26 C ATOM 590 CD2 LEU A 39 -13.204 9.139 -0.933 1.00 1.07 C ATOM 0 H LEU A 39 -14.594 7.719 -4.835 1.00 0.30 H new ATOM 0 HA LEU A 39 -13.432 10.082 -3.477 1.00 0.33 H new ATOM 0 HB2 LEU A 39 -12.458 7.212 -3.686 1.00 0.38 H new ATOM 0 HB3 LEU A 39 -11.536 8.526 -2.983 1.00 0.38 H new ATOM 0 HG LEU A 39 -14.225 7.572 -1.958 1.00 0.64 H new ATOM 0 HD11 LEU A 39 -12.937 6.580 -0.103 1.00 1.26 H new ATOM 0 HD12 LEU A 39 -12.507 5.853 -1.670 1.00 1.26 H new ATOM 0 HD13 LEU A 39 -11.423 7.045 -0.914 1.00 1.26 H new ATOM 0 HD21 LEU A 39 -13.668 8.921 0.029 1.00 1.07 H new ATOM 0 HD22 LEU A 39 -12.181 9.479 -0.774 1.00 1.07 H new ATOM 0 HD23 LEU A 39 -13.771 9.920 -1.441 1.00 1.07 H new ATOM 602 N GLY A 40 -11.502 10.334 -5.155 1.00 0.42 N ATOM 603 CA GLY A 40 -10.665 10.697 -6.285 1.00 0.47 C ATOM 604 C GLY A 40 -10.049 9.496 -6.986 1.00 0.43 C ATOM 605 O GLY A 40 -9.464 9.637 -8.061 1.00 0.69 O ATOM 0 H GLY A 40 -11.268 10.807 -4.282 1.00 0.42 H new ATOM 0 HA2 GLY A 40 -11.260 11.262 -7.002 1.00 0.47 H new ATOM 0 HA3 GLY A 40 -9.868 11.357 -5.941 1.00 0.47 H new ATOM 609 N GLN A 41 -10.173 8.316 -6.382 1.00 0.44 N ATOM 610 CA GLN A 41 -9.624 7.096 -6.966 1.00 0.40 C ATOM 611 C GLN A 41 -10.341 6.730 -8.260 1.00 0.51 C ATOM 612 O GLN A 41 -11.327 7.364 -8.639 1.00 1.45 O ATOM 613 CB GLN A 41 -9.730 5.929 -5.981 1.00 0.48 C ATOM 614 CG GLN A 41 -8.996 6.155 -4.671 1.00 0.74 C ATOM 615 CD GLN A 41 -7.553 6.576 -4.868 1.00 1.06 C ATOM 616 OE1 GLN A 41 -6.913 6.207 -5.853 1.00 1.97 O ATOM 617 NE2 GLN A 41 -7.032 7.350 -3.923 1.00 1.30 N ATOM 0 H GLN A 41 -10.648 8.180 -5.490 1.00 0.44 H new ATOM 0 HA GLN A 41 -8.574 7.287 -7.189 1.00 0.40 H new ATOM 0 HB2 GLN A 41 -10.782 5.742 -5.768 1.00 0.48 H new ATOM 0 HB3 GLN A 41 -9.336 5.030 -6.455 1.00 0.48 H new ATOM 0 HG2 GLN A 41 -9.517 6.920 -4.096 1.00 0.74 H new ATOM 0 HG3 GLN A 41 -9.025 5.239 -4.082 1.00 0.74 H new ATOM 0 HE21 GLN A 41 -7.600 7.631 -3.124 1.00 1.30 H new ATOM 0 HE22 GLN A 41 -6.064 7.663 -3.996 1.00 1.30 H new ATOM 626 N ASN A 42 -9.837 5.696 -8.929 1.00 0.74 N ATOM 627 CA ASN A 42 -10.418 5.223 -10.180 1.00 0.68 C ATOM 628 C ASN A 42 -9.740 3.926 -10.624 1.00 0.53 C ATOM 629 O ASN A 42 -9.029 3.901 -11.629 1.00 0.62 O ATOM 630 CB ASN A 42 -10.287 6.291 -11.269 1.00 0.85 C ATOM 631 CG ASN A 42 -11.044 5.931 -12.534 1.00 1.87 C ATOM 632 OD1 ASN A 42 -12.234 6.218 -12.662 1.00 2.57 O ATOM 633 ND2 ASN A 42 -10.353 5.304 -13.480 1.00 2.66 N ATOM 0 H ASN A 42 -9.021 5.167 -8.621 1.00 0.74 H new ATOM 0 HA ASN A 42 -11.477 5.024 -10.016 1.00 0.68 H new ATOM 0 HB2 ASN A 42 -10.658 7.242 -10.886 1.00 0.85 H new ATOM 0 HB3 ASN A 42 -9.233 6.433 -11.509 1.00 0.85 H new ATOM 0 HD21 ASN A 42 -10.808 5.041 -14.354 1.00 2.66 H new ATOM 0 HD22 ASN A 42 -9.368 5.085 -13.332 1.00 2.66 H new ATOM 640 N PRO A 43 -9.949 2.830 -9.872 1.00 0.41 N ATOM 641 CA PRO A 43 -9.351 1.526 -10.190 1.00 0.40 C ATOM 642 C PRO A 43 -9.921 0.924 -11.468 1.00 0.39 C ATOM 643 O PRO A 43 -11.087 1.135 -11.800 1.00 0.51 O ATOM 644 CB PRO A 43 -9.725 0.659 -8.985 1.00 0.44 C ATOM 645 CG PRO A 43 -10.950 1.295 -8.427 1.00 0.45 C ATOM 646 CD PRO A 43 -10.783 2.770 -8.656 1.00 0.44 C ATOM 0 HA PRO A 43 -8.278 1.604 -10.362 1.00 0.40 H new ATOM 0 HB2 PRO A 43 -9.915 -0.372 -9.283 1.00 0.44 H new ATOM 0 HB3 PRO A 43 -8.921 0.635 -8.249 1.00 0.44 H new ATOM 0 HG2 PRO A 43 -11.846 0.921 -8.923 1.00 0.45 H new ATOM 0 HG3 PRO A 43 -11.057 1.073 -7.365 1.00 0.45 H new ATOM 0 HD2 PRO A 43 -11.743 3.266 -8.801 1.00 0.44 H new ATOM 0 HD3 PRO A 43 -10.297 3.256 -7.810 1.00 0.44 H new ATOM 654 N THR A 44 -9.088 0.173 -12.183 1.00 0.35 N ATOM 655 CA THR A 44 -9.508 -0.464 -13.423 1.00 0.36 C ATOM 656 C THR A 44 -10.593 -1.502 -13.151 1.00 0.32 C ATOM 657 O THR A 44 -10.676 -2.044 -12.049 1.00 0.33 O ATOM 658 CB THR A 44 -8.322 -1.141 -14.137 1.00 0.43 C ATOM 659 OG1 THR A 44 -7.208 -0.243 -14.192 1.00 0.73 O ATOM 660 CG2 THR A 44 -8.706 -1.560 -15.549 1.00 0.69 C ATOM 0 H THR A 44 -8.118 -0.008 -11.923 1.00 0.35 H new ATOM 0 HA THR A 44 -9.905 0.317 -14.072 1.00 0.36 H new ATOM 0 HB THR A 44 -8.047 -2.031 -13.571 1.00 0.43 H new ATOM 0 HG1 THR A 44 -6.457 -0.680 -14.645 1.00 0.73 H new ATOM 0 HG21 THR A 44 -7.852 -2.035 -16.032 1.00 0.69 H new ATOM 0 HG22 THR A 44 -9.537 -2.264 -15.506 1.00 0.69 H new ATOM 0 HG23 THR A 44 -9.004 -0.681 -16.121 1.00 0.69 H new ATOM 668 N GLU A 45 -11.425 -1.773 -14.155 1.00 0.32 N ATOM 669 CA GLU A 45 -12.511 -2.739 -14.010 1.00 0.33 C ATOM 670 C GLU A 45 -12.007 -4.052 -13.416 1.00 0.32 C ATOM 671 O GLU A 45 -12.517 -4.517 -12.396 1.00 0.34 O ATOM 672 CB GLU A 45 -13.174 -3.004 -15.363 1.00 0.40 C ATOM 673 CG GLU A 45 -14.533 -3.677 -15.250 1.00 1.14 C ATOM 674 CD GLU A 45 -15.571 -2.783 -14.601 1.00 1.84 C ATOM 675 OE1 GLU A 45 -15.692 -2.818 -13.359 1.00 2.70 O ATOM 676 OE2 GLU A 45 -16.263 -2.047 -15.335 1.00 2.04 O ATOM 0 H GLU A 45 -11.368 -1.338 -15.076 1.00 0.32 H new ATOM 0 HA GLU A 45 -13.246 -2.312 -13.327 1.00 0.33 H new ATOM 0 HB2 GLU A 45 -13.288 -2.059 -15.894 1.00 0.40 H new ATOM 0 HB3 GLU A 45 -12.516 -3.631 -15.965 1.00 0.40 H new ATOM 0 HG2 GLU A 45 -14.876 -3.965 -16.244 1.00 1.14 H new ATOM 0 HG3 GLU A 45 -14.434 -4.594 -14.669 1.00 1.14 H new ATOM 683 N ALA A 46 -11.000 -4.639 -14.057 1.00 0.33 N ATOM 684 CA ALA A 46 -10.429 -5.901 -13.597 1.00 0.37 C ATOM 685 C ALA A 46 -10.009 -5.824 -12.132 1.00 0.33 C ATOM 686 O ALA A 46 -10.301 -6.726 -11.348 1.00 0.34 O ATOM 687 CB ALA A 46 -9.242 -6.288 -14.466 1.00 0.46 C ATOM 0 H ALA A 46 -10.562 -4.260 -14.897 1.00 0.33 H new ATOM 0 HA ALA A 46 -11.199 -6.667 -13.682 1.00 0.37 H new ATOM 0 HB1 ALA A 46 -8.825 -7.231 -14.113 1.00 0.46 H new ATOM 0 HB2 ALA A 46 -9.569 -6.400 -15.500 1.00 0.46 H new ATOM 0 HB3 ALA A 46 -8.480 -5.510 -14.409 1.00 0.46 H new ATOM 693 N GLU A 47 -9.324 -4.741 -11.770 1.00 0.32 N ATOM 694 CA GLU A 47 -8.859 -4.547 -10.398 1.00 0.32 C ATOM 695 C GLU A 47 -9.996 -4.732 -9.401 1.00 0.28 C ATOM 696 O GLU A 47 -9.892 -5.535 -8.472 1.00 0.28 O ATOM 697 CB GLU A 47 -8.242 -3.155 -10.237 1.00 0.37 C ATOM 698 CG GLU A 47 -7.644 -2.907 -8.861 1.00 0.43 C ATOM 699 CD GLU A 47 -6.508 -3.857 -8.538 1.00 1.24 C ATOM 700 OE1 GLU A 47 -5.348 -3.527 -8.862 1.00 1.27 O ATOM 701 OE2 GLU A 47 -6.777 -4.931 -7.960 1.00 2.23 O ATOM 0 H GLU A 47 -9.079 -3.984 -12.408 1.00 0.32 H new ATOM 0 HA GLU A 47 -8.098 -5.300 -10.192 1.00 0.32 H new ATOM 0 HB2 GLU A 47 -7.465 -3.022 -10.990 1.00 0.37 H new ATOM 0 HB3 GLU A 47 -9.007 -2.403 -10.432 1.00 0.37 H new ATOM 0 HG2 GLU A 47 -7.281 -1.881 -8.807 1.00 0.43 H new ATOM 0 HG3 GLU A 47 -8.424 -3.010 -8.106 1.00 0.43 H new ATOM 708 N LEU A 48 -11.083 -3.991 -9.595 1.00 0.29 N ATOM 709 CA LEU A 48 -12.234 -4.082 -8.706 1.00 0.31 C ATOM 710 C LEU A 48 -12.759 -5.511 -8.636 1.00 0.30 C ATOM 711 O LEU A 48 -13.117 -5.997 -7.565 1.00 0.35 O ATOM 712 CB LEU A 48 -13.348 -3.139 -9.169 1.00 0.35 C ATOM 713 CG LEU A 48 -13.122 -1.659 -8.850 1.00 0.65 C ATOM 714 CD1 LEU A 48 -14.212 -0.806 -9.478 1.00 1.34 C ATOM 715 CD2 LEU A 48 -13.076 -1.438 -7.345 1.00 1.36 C ATOM 0 H LEU A 48 -11.190 -3.323 -10.358 1.00 0.29 H new ATOM 0 HA LEU A 48 -11.909 -3.784 -7.709 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -13.470 -3.248 -10.247 1.00 0.35 H new ATOM 0 HB3 LEU A 48 -14.284 -3.455 -8.709 1.00 0.35 H new ATOM 0 HG LEU A 48 -12.163 -1.360 -9.272 1.00 0.65 H new ATOM 0 HD11 LEU A 48 -14.035 0.243 -9.241 1.00 1.34 H new ATOM 0 HD12 LEU A 48 -14.201 -0.940 -10.560 1.00 1.34 H new ATOM 0 HD13 LEU A 48 -15.183 -1.108 -9.085 1.00 1.34 H new ATOM 0 HD21 LEU A 48 -12.915 -0.380 -7.137 1.00 1.36 H new ATOM 0 HD22 LEU A 48 -14.020 -1.755 -6.902 1.00 1.36 H new ATOM 0 HD23 LEU A 48 -12.260 -2.020 -6.916 1.00 1.36 H new ATOM 727 N GLN A 49 -12.796 -6.184 -9.781 1.00 0.30 N ATOM 728 CA GLN A 49 -13.279 -7.558 -9.842 1.00 0.35 C ATOM 729 C GLN A 49 -12.349 -8.499 -9.081 1.00 0.35 C ATOM 730 O GLN A 49 -12.776 -9.535 -8.574 1.00 0.38 O ATOM 731 CB GLN A 49 -13.398 -8.017 -11.297 1.00 0.41 C ATOM 732 CG GLN A 49 -14.297 -7.134 -12.147 1.00 0.48 C ATOM 733 CD GLN A 49 -15.752 -7.195 -11.723 1.00 0.78 C ATOM 734 OE1 GLN A 49 -16.220 -8.211 -11.209 1.00 1.22 O ATOM 735 NE2 GLN A 49 -16.475 -6.103 -11.939 1.00 1.19 N ATOM 0 H GLN A 49 -12.498 -5.801 -10.678 1.00 0.30 H new ATOM 0 HA GLN A 49 -14.263 -7.588 -9.374 1.00 0.35 H new ATOM 0 HB2 GLN A 49 -12.404 -8.043 -11.743 1.00 0.41 H new ATOM 0 HB3 GLN A 49 -13.783 -9.037 -11.316 1.00 0.41 H new ATOM 0 HG2 GLN A 49 -13.949 -6.103 -12.086 1.00 0.48 H new ATOM 0 HG3 GLN A 49 -14.214 -7.437 -13.191 1.00 0.48 H new ATOM 0 HE21 GLN A 49 -16.045 -5.283 -12.368 1.00 1.19 H new ATOM 0 HE22 GLN A 49 -17.460 -6.083 -11.676 1.00 1.19 H new ATOM 744 N ASP A 50 -11.075 -8.124 -9.000 1.00 0.34 N ATOM 745 CA ASP A 50 -10.075 -8.937 -8.312 1.00 0.38 C ATOM 746 C ASP A 50 -10.185 -8.809 -6.793 1.00 0.35 C ATOM 747 O ASP A 50 -10.277 -9.811 -6.084 1.00 0.39 O ATOM 748 CB ASP A 50 -8.668 -8.539 -8.763 1.00 0.43 C ATOM 749 CG ASP A 50 -8.349 -9.022 -10.164 1.00 0.49 C ATOM 750 OD1 ASP A 50 -8.298 -10.253 -10.370 1.00 0.62 O ATOM 751 OD2 ASP A 50 -8.146 -8.171 -11.054 1.00 0.53 O ATOM 0 H ASP A 50 -10.710 -7.261 -9.403 1.00 0.34 H new ATOM 0 HA ASP A 50 -10.263 -9.978 -8.576 1.00 0.38 H new ATOM 0 HB2 ASP A 50 -8.571 -7.454 -8.725 1.00 0.43 H new ATOM 0 HB3 ASP A 50 -7.937 -8.948 -8.066 1.00 0.43 H new ATOM 756 N LEU A 51 -10.174 -7.575 -6.300 1.00 0.32 N ATOM 757 CA LEU A 51 -10.252 -7.325 -4.862 1.00 0.33 C ATOM 758 C LEU A 51 -11.627 -7.676 -4.297 1.00 0.32 C ATOM 759 O LEU A 51 -11.735 -8.150 -3.166 1.00 0.35 O ATOM 760 CB LEU A 51 -9.919 -5.864 -4.565 1.00 0.36 C ATOM 761 CG LEU A 51 -10.776 -4.842 -5.308 1.00 0.30 C ATOM 762 CD1 LEU A 51 -11.775 -4.194 -4.363 1.00 0.39 C ATOM 763 CD2 LEU A 51 -9.896 -3.792 -5.966 1.00 0.31 C ATOM 0 H LEU A 51 -10.112 -6.733 -6.872 1.00 0.32 H new ATOM 0 HA LEU A 51 -9.521 -7.970 -4.375 1.00 0.33 H new ATOM 0 HB2 LEU A 51 -10.025 -5.694 -3.494 1.00 0.36 H new ATOM 0 HB3 LEU A 51 -8.873 -5.688 -4.814 1.00 0.36 H new ATOM 0 HG LEU A 51 -11.334 -5.359 -6.088 1.00 0.30 H new ATOM 0 HD11 LEU A 51 -12.377 -3.469 -4.911 1.00 0.39 H new ATOM 0 HD12 LEU A 51 -12.426 -4.960 -3.940 1.00 0.39 H new ATOM 0 HD13 LEU A 51 -11.240 -3.688 -3.559 1.00 0.39 H new ATOM 0 HD21 LEU A 51 -10.522 -3.071 -6.492 1.00 0.31 H new ATOM 0 HD22 LEU A 51 -9.311 -3.278 -5.203 1.00 0.31 H new ATOM 0 HD23 LEU A 51 -9.223 -4.274 -6.675 1.00 0.31 H new ATOM 775 N ILE A 52 -12.676 -7.439 -5.080 1.00 0.31 N ATOM 776 CA ILE A 52 -14.035 -7.737 -4.638 1.00 0.34 C ATOM 777 C ILE A 52 -14.265 -9.242 -4.543 1.00 0.37 C ATOM 778 O ILE A 52 -14.772 -9.737 -3.536 1.00 0.41 O ATOM 779 CB ILE A 52 -15.091 -7.109 -5.575 1.00 0.38 C ATOM 780 CG1 ILE A 52 -15.096 -5.585 -5.417 1.00 0.42 C ATOM 781 CG2 ILE A 52 -16.474 -7.681 -5.287 1.00 0.50 C ATOM 782 CD1 ILE A 52 -16.006 -4.872 -6.396 1.00 0.50 C ATOM 0 H ILE A 52 -12.612 -7.044 -6.018 1.00 0.31 H new ATOM 0 HA ILE A 52 -14.148 -7.297 -3.647 1.00 0.34 H new ATOM 0 HB ILE A 52 -14.830 -7.353 -6.605 1.00 0.38 H new ATOM 0 HG12 ILE A 52 -15.403 -5.335 -4.402 1.00 0.42 H new ATOM 0 HG13 ILE A 52 -14.079 -5.213 -5.543 1.00 0.42 H new ATOM 0 HG21 ILE A 52 -17.203 -7.226 -5.957 1.00 0.50 H new ATOM 0 HG22 ILE A 52 -16.461 -8.760 -5.443 1.00 0.50 H new ATOM 0 HG23 ILE A 52 -16.748 -7.467 -4.254 1.00 0.50 H new ATOM 0 HD11 ILE A 52 -15.956 -3.797 -6.223 1.00 0.50 H new ATOM 0 HD12 ILE A 52 -15.687 -5.090 -7.415 1.00 0.50 H new ATOM 0 HD13 ILE A 52 -17.031 -5.215 -6.256 1.00 0.50 H new ATOM 794 N ALA A 53 -13.888 -9.967 -5.593 1.00 0.41 N ATOM 795 CA ALA A 53 -14.054 -11.416 -5.613 1.00 0.50 C ATOM 796 C ALA A 53 -13.260 -12.066 -4.487 1.00 0.49 C ATOM 797 O ALA A 53 -13.707 -13.037 -3.878 1.00 0.58 O ATOM 798 CB ALA A 53 -13.629 -11.981 -6.959 1.00 0.59 C ATOM 0 H ALA A 53 -13.468 -9.577 -6.436 1.00 0.41 H new ATOM 0 HA ALA A 53 -15.109 -11.641 -5.460 1.00 0.50 H new ATOM 0 HB1 ALA A 53 -13.759 -13.063 -6.957 1.00 0.59 H new ATOM 0 HB2 ALA A 53 -14.242 -11.543 -7.747 1.00 0.59 H new ATOM 0 HB3 ALA A 53 -12.581 -11.742 -7.139 1.00 0.59 H new ATOM 804 N GLU A 54 -12.078 -11.520 -4.214 1.00 0.45 N ATOM 805 CA GLU A 54 -11.222 -12.039 -3.156 1.00 0.51 C ATOM 806 C GLU A 54 -11.866 -11.820 -1.792 1.00 0.50 C ATOM 807 O GLU A 54 -11.995 -12.752 -0.998 1.00 0.59 O ATOM 808 CB GLU A 54 -9.851 -11.362 -3.202 1.00 0.57 C ATOM 809 CG GLU A 54 -8.883 -11.868 -2.144 1.00 1.07 C ATOM 810 CD GLU A 54 -8.591 -13.349 -2.283 1.00 1.77 C ATOM 811 OE1 GLU A 54 -7.646 -13.702 -3.020 1.00 1.99 O ATOM 812 OE2 GLU A 54 -9.306 -14.157 -1.654 1.00 2.54 O ATOM 0 H GLU A 54 -11.693 -10.718 -4.712 1.00 0.45 H new ATOM 0 HA GLU A 54 -11.093 -13.110 -3.313 1.00 0.51 H new ATOM 0 HB2 GLU A 54 -9.412 -11.517 -4.187 1.00 0.57 H new ATOM 0 HB3 GLU A 54 -9.982 -10.287 -3.077 1.00 0.57 H new ATOM 0 HG2 GLU A 54 -7.950 -11.309 -2.213 1.00 1.07 H new ATOM 0 HG3 GLU A 54 -9.298 -11.674 -1.155 1.00 1.07 H new ATOM 819 N ALA A 55 -12.271 -10.582 -1.531 1.00 0.43 N ATOM 820 CA ALA A 55 -12.905 -10.236 -0.265 1.00 0.47 C ATOM 821 C ALA A 55 -14.269 -10.904 -0.135 1.00 0.46 C ATOM 822 O ALA A 55 -14.841 -10.963 0.954 1.00 0.53 O ATOM 823 CB ALA A 55 -13.039 -8.726 -0.136 1.00 0.50 C ATOM 0 H ALA A 55 -12.171 -9.801 -2.180 1.00 0.43 H new ATOM 0 HA ALA A 55 -12.271 -10.602 0.543 1.00 0.47 H new ATOM 0 HB1 ALA A 55 -13.514 -8.483 0.814 1.00 0.50 H new ATOM 0 HB2 ALA A 55 -12.051 -8.268 -0.175 1.00 0.50 H new ATOM 0 HB3 ALA A 55 -13.648 -8.344 -0.955 1.00 0.50 H new ATOM 829 N GLU A 56 -14.788 -11.407 -1.253 1.00 0.41 N ATOM 830 CA GLU A 56 -16.086 -12.071 -1.261 1.00 0.44 C ATOM 831 C GLU A 56 -15.993 -13.458 -0.630 1.00 0.49 C ATOM 832 O GLU A 56 -16.972 -13.971 -0.091 1.00 0.63 O ATOM 833 CB GLU A 56 -16.619 -12.180 -2.692 1.00 0.47 C ATOM 834 CG GLU A 56 -18.023 -12.758 -2.777 1.00 0.52 C ATOM 835 CD GLU A 56 -18.560 -12.775 -4.194 1.00 1.26 C ATOM 836 OE1 GLU A 56 -18.317 -13.769 -4.909 1.00 1.95 O ATOM 837 OE2 GLU A 56 -19.227 -11.795 -4.588 1.00 1.66 O ATOM 0 H GLU A 56 -14.329 -11.367 -2.163 1.00 0.41 H new ATOM 0 HA GLU A 56 -16.777 -11.470 -0.670 1.00 0.44 H new ATOM 0 HB2 GLU A 56 -16.614 -11.190 -3.149 1.00 0.47 H new ATOM 0 HB3 GLU A 56 -15.942 -12.804 -3.276 1.00 0.47 H new ATOM 0 HG2 GLU A 56 -18.019 -13.774 -2.382 1.00 0.52 H new ATOM 0 HG3 GLU A 56 -18.692 -12.173 -2.146 1.00 0.52 H new ATOM 844 N ASN A 57 -14.806 -14.059 -0.704 1.00 0.53 N ATOM 845 CA ASN A 57 -14.584 -15.385 -0.137 1.00 0.68 C ATOM 846 C ASN A 57 -13.526 -15.335 0.960 1.00 0.79 C ATOM 847 O ASN A 57 -13.093 -16.370 1.466 1.00 1.19 O ATOM 848 CB ASN A 57 -14.156 -16.370 -1.228 1.00 0.87 C ATOM 849 CG ASN A 57 -12.804 -16.026 -1.822 1.00 1.67 C ATOM 850 OD1 ASN A 57 -12.711 -15.276 -2.793 1.00 2.38 O ATOM 851 ND2 ASN A 57 -11.745 -16.578 -1.241 1.00 2.48 N ATOM 0 H ASN A 57 -13.986 -13.648 -1.150 1.00 0.53 H new ATOM 0 HA ASN A 57 -15.523 -15.726 0.300 1.00 0.68 H new ATOM 0 HB2 ASN A 57 -14.121 -17.376 -0.811 1.00 0.87 H new ATOM 0 HB3 ASN A 57 -14.905 -16.379 -2.019 1.00 0.87 H new ATOM 0 HD21 ASN A 57 -10.809 -16.386 -1.598 1.00 2.48 H new ATOM 0 HD22 ASN A 57 -11.867 -17.194 -0.438 1.00 2.48 H new ATOM 858 N ASN A 58 -13.115 -14.123 1.325 1.00 0.84 N ATOM 859 CA ASN A 58 -12.107 -13.936 2.363 1.00 1.03 C ATOM 860 C ASN A 58 -12.639 -13.056 3.488 1.00 1.09 C ATOM 861 O ASN A 58 -12.035 -12.965 4.557 1.00 1.84 O ATOM 862 CB ASN A 58 -10.841 -13.316 1.766 1.00 1.12 C ATOM 863 CG ASN A 58 -9.712 -13.211 2.774 1.00 1.81 C ATOM 864 OD1 ASN A 58 -9.666 -14.149 3.714 1.00 2.48 O flip ATOM 865 ND2 ASN A 58 -8.888 -12.299 2.706 1.00 2.14 N flip ATOM 0 H ASN A 58 -13.465 -13.256 0.917 1.00 0.84 H new ATOM 0 HA ASN A 58 -11.863 -14.914 2.779 1.00 1.03 H new ATOM 0 HB2 ASN A 58 -10.512 -13.917 0.918 1.00 1.12 H new ATOM 0 HB3 ASN A 58 -11.074 -12.323 1.382 1.00 1.12 H new ATOM 0 HD21 ASN A 58 -8.961 -11.600 1.967 1.00 2.14 H new ATOM 0 HD22 ASN A 58 -8.132 -12.243 3.388 1.00 2.14 H new ATOM 872 N ASN A 59 -13.771 -12.407 3.240 1.00 1.04 N ATOM 873 CA ASN A 59 -14.382 -11.534 4.234 1.00 1.01 C ATOM 874 C ASN A 59 -15.899 -11.684 4.230 1.00 0.88 C ATOM 875 O ASN A 59 -16.625 -10.756 4.590 1.00 0.91 O ATOM 876 CB ASN A 59 -14.000 -10.079 3.966 1.00 1.08 C ATOM 877 CG ASN A 59 -12.499 -9.885 3.875 1.00 1.31 C ATOM 878 OD1 ASN A 59 -11.927 -9.882 2.784 1.00 2.05 O ATOM 879 ND2 ASN A 59 -11.853 -9.735 5.024 1.00 1.51 N ATOM 0 H ASN A 59 -14.283 -12.469 2.360 1.00 1.04 H new ATOM 0 HA ASN A 59 -14.010 -11.825 5.216 1.00 1.01 H new ATOM 0 HB2 ASN A 59 -14.464 -9.749 3.036 1.00 1.08 H new ATOM 0 HB3 ASN A 59 -14.398 -9.449 4.761 1.00 1.08 H new ATOM 0 HD21 ASN A 59 -10.841 -9.611 5.027 1.00 1.51 H new ATOM 0 HD22 ASN A 59 -12.369 -9.744 5.904 1.00 1.51 H new ATOM 886 N ASN A 60 -16.366 -12.862 3.823 1.00 0.80 N ATOM 887 CA ASN A 60 -17.797 -13.153 3.766 1.00 0.76 C ATOM 888 C ASN A 60 -18.509 -12.223 2.786 1.00 0.74 C ATOM 889 O ASN A 60 -18.707 -12.571 1.622 1.00 1.42 O ATOM 890 CB ASN A 60 -18.428 -13.040 5.158 1.00 0.86 C ATOM 891 CG ASN A 60 -18.015 -14.168 6.085 1.00 0.95 C ATOM 892 OD1 ASN A 60 -16.797 -14.669 5.913 1.00 1.47 O flip ATOM 893 ND2 ASN A 60 -18.784 -14.585 6.951 1.00 1.19 N flip ATOM 0 H ASN A 60 -15.770 -13.635 3.526 1.00 0.80 H new ATOM 0 HA ASN A 60 -17.915 -14.177 3.411 1.00 0.76 H new ATOM 0 HB2 ASN A 60 -18.144 -12.087 5.604 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -19.514 -13.035 5.060 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -19.712 -14.173 7.051 1.00 1.19 H new ATOM 0 HD22 ASN A 60 -18.493 -15.343 7.569 1.00 1.19 H new ATOM 900 N GLY A 61 -18.891 -11.041 3.262 1.00 0.43 N ATOM 901 CA GLY A 61 -19.577 -10.085 2.412 1.00 0.40 C ATOM 902 C GLY A 61 -19.334 -8.652 2.841 1.00 0.32 C ATOM 903 O GLY A 61 -19.800 -7.714 2.193 1.00 0.38 O ATOM 0 H GLY A 61 -18.738 -10.729 4.221 1.00 0.43 H new ATOM 0 HA2 GLY A 61 -19.244 -10.214 1.382 1.00 0.40 H new ATOM 0 HA3 GLY A 61 -20.647 -10.290 2.429 1.00 0.40 H new ATOM 907 N GLN A 62 -18.604 -8.484 3.937 1.00 0.36 N ATOM 908 CA GLN A 62 -18.295 -7.160 4.458 1.00 0.29 C ATOM 909 C GLN A 62 -16.798 -6.879 4.388 1.00 0.31 C ATOM 910 O GLN A 62 -15.979 -7.797 4.388 1.00 0.38 O ATOM 911 CB GLN A 62 -18.784 -7.031 5.903 1.00 0.27 C ATOM 912 CG GLN A 62 -20.231 -6.579 6.023 1.00 0.27 C ATOM 913 CD GLN A 62 -20.371 -5.068 6.001 1.00 0.23 C ATOM 914 OE1 GLN A 62 -21.294 -4.507 6.592 1.00 0.25 O ATOM 915 NE2 GLN A 62 -19.449 -4.401 5.317 1.00 0.21 N ATOM 0 H GLN A 62 -18.214 -9.252 4.483 1.00 0.36 H new ATOM 0 HA GLN A 62 -18.811 -6.426 3.839 1.00 0.29 H new ATOM 0 HB2 GLN A 62 -18.671 -7.993 6.402 1.00 0.27 H new ATOM 0 HB3 GLN A 62 -18.147 -6.321 6.431 1.00 0.27 H new ATOM 0 HG2 GLN A 62 -20.811 -7.006 5.205 1.00 0.27 H new ATOM 0 HG3 GLN A 62 -20.654 -6.966 6.950 1.00 0.27 H new ATOM 0 HE21 GLN A 62 -18.701 -4.907 4.842 1.00 0.21 H new ATOM 0 HE22 GLN A 62 -19.489 -3.383 5.266 1.00 0.21 H new ATOM 924 N LEU A 63 -16.455 -5.598 4.332 1.00 0.30 N ATOM 925 CA LEU A 63 -15.064 -5.168 4.257 1.00 0.36 C ATOM 926 C LEU A 63 -14.722 -4.298 5.463 1.00 0.31 C ATOM 927 O LEU A 63 -15.603 -3.676 6.046 1.00 0.27 O ATOM 928 CB LEU A 63 -14.827 -4.392 2.962 1.00 0.45 C ATOM 929 CG LEU A 63 -13.391 -4.411 2.450 1.00 0.79 C ATOM 930 CD1 LEU A 63 -13.222 -5.466 1.367 1.00 1.41 C ATOM 931 CD2 LEU A 63 -12.995 -3.038 1.936 1.00 1.43 C ATOM 0 H LEU A 63 -17.128 -4.832 4.337 1.00 0.30 H new ATOM 0 HA LEU A 63 -14.419 -6.047 4.263 1.00 0.36 H new ATOM 0 HB2 LEU A 63 -15.478 -4.800 2.188 1.00 0.45 H new ATOM 0 HB3 LEU A 63 -15.127 -3.356 3.118 1.00 0.45 H new ATOM 0 HG LEU A 63 -12.731 -4.669 3.278 1.00 0.79 H new ATOM 0 HD11 LEU A 63 -12.191 -5.464 1.015 1.00 1.41 H new ATOM 0 HD12 LEU A 63 -13.464 -6.448 1.774 1.00 1.41 H new ATOM 0 HD13 LEU A 63 -13.890 -5.244 0.535 1.00 1.41 H new ATOM 0 HD21 LEU A 63 -11.967 -3.068 1.574 1.00 1.43 H new ATOM 0 HD22 LEU A 63 -13.659 -2.749 1.121 1.00 1.43 H new ATOM 0 HD23 LEU A 63 -13.074 -2.310 2.744 1.00 1.43 H new ATOM 943 N ASN A 64 -13.442 -4.225 5.817 1.00 0.33 N ATOM 944 CA ASN A 64 -13.024 -3.438 6.978 1.00 0.31 C ATOM 945 C ASN A 64 -12.225 -2.215 6.569 1.00 0.31 C ATOM 946 O ASN A 64 -11.637 -2.172 5.489 1.00 0.33 O ATOM 947 CB ASN A 64 -12.159 -4.267 7.932 1.00 0.34 C ATOM 948 CG ASN A 64 -12.905 -5.403 8.587 1.00 0.53 C ATOM 949 OD1 ASN A 64 -13.539 -5.229 9.628 1.00 1.19 O ATOM 950 ND2 ASN A 64 -12.809 -6.584 7.994 1.00 0.99 N ATOM 0 H ASN A 64 -12.682 -4.695 5.324 1.00 0.33 H new ATOM 0 HA ASN A 64 -13.941 -3.128 7.479 1.00 0.31 H new ATOM 0 HB2 ASN A 64 -11.309 -4.670 7.381 1.00 0.34 H new ATOM 0 HB3 ASN A 64 -11.756 -3.613 8.706 1.00 0.34 H new ATOM 0 HD21 ASN A 64 -13.272 -7.397 8.399 1.00 0.99 H new ATOM 0 HD22 ASN A 64 -12.272 -6.680 7.132 1.00 0.99 H new ATOM 957 N PHE A 65 -12.224 -1.219 7.444 1.00 0.30 N ATOM 958 CA PHE A 65 -11.483 0.013 7.212 1.00 0.30 C ATOM 959 C PHE A 65 -10.064 -0.310 6.770 1.00 0.29 C ATOM 960 O PHE A 65 -9.520 0.322 5.865 1.00 0.31 O ATOM 961 CB PHE A 65 -11.461 0.845 8.494 1.00 0.32 C ATOM 962 CG PHE A 65 -10.608 2.079 8.413 1.00 0.33 C ATOM 963 CD1 PHE A 65 -11.089 3.232 7.817 1.00 0.37 C ATOM 964 CD2 PHE A 65 -9.326 2.085 8.942 1.00 0.35 C ATOM 965 CE1 PHE A 65 -10.308 4.369 7.746 1.00 0.40 C ATOM 966 CE2 PHE A 65 -8.540 3.220 8.874 1.00 0.38 C ATOM 967 CZ PHE A 65 -9.032 4.363 8.275 1.00 0.39 C ATOM 0 H PHE A 65 -12.732 -1.241 8.328 1.00 0.30 H new ATOM 0 HA PHE A 65 -11.972 0.586 6.424 1.00 0.30 H new ATOM 0 HB2 PHE A 65 -12.481 1.138 8.741 1.00 0.32 H new ATOM 0 HB3 PHE A 65 -11.101 0.221 9.312 1.00 0.32 H new ATOM 0 HD1 PHE A 65 -12.086 3.243 7.403 1.00 0.37 H new ATOM 0 HD2 PHE A 65 -8.938 1.194 9.412 1.00 0.35 H new ATOM 0 HE1 PHE A 65 -10.695 5.262 7.277 1.00 0.40 H new ATOM 0 HE2 PHE A 65 -7.543 3.213 9.289 1.00 0.38 H new ATOM 0 HZ PHE A 65 -8.420 5.251 8.220 1.00 0.39 H new ATOM 977 N THR A 66 -9.476 -1.305 7.421 1.00 0.31 N ATOM 978 CA THR A 66 -8.123 -1.740 7.104 1.00 0.32 C ATOM 979 C THR A 66 -8.052 -2.361 5.718 1.00 0.31 C ATOM 980 O THR A 66 -7.058 -2.206 5.010 1.00 0.30 O ATOM 981 CB THR A 66 -7.604 -2.762 8.126 1.00 0.40 C ATOM 982 OG1 THR A 66 -8.702 -3.439 8.751 1.00 0.56 O ATOM 983 CG2 THR A 66 -6.755 -2.075 9.174 1.00 0.81 C ATOM 0 H THR A 66 -9.918 -1.829 8.176 1.00 0.31 H new ATOM 0 HA THR A 66 -7.497 -0.848 7.137 1.00 0.32 H new ATOM 0 HB THR A 66 -6.989 -3.494 7.602 1.00 0.40 H new ATOM 0 HG1 THR A 66 -8.359 -4.089 9.399 1.00 0.56 H new ATOM 0 HG21 THR A 66 -6.395 -2.813 9.891 1.00 0.81 H new ATOM 0 HG22 THR A 66 -5.905 -1.591 8.693 1.00 0.81 H new ATOM 0 HG23 THR A 66 -7.353 -1.326 9.693 1.00 0.81 H new ATOM 991 N GLU A 67 -9.103 -3.077 5.343 1.00 0.34 N ATOM 992 CA GLU A 67 -9.158 -3.712 4.037 1.00 0.37 C ATOM 993 C GLU A 67 -9.172 -2.650 2.940 1.00 0.32 C ATOM 994 O GLU A 67 -8.327 -2.654 2.040 1.00 0.35 O ATOM 995 CB GLU A 67 -10.401 -4.596 3.937 1.00 0.42 C ATOM 996 CG GLU A 67 -10.504 -5.637 5.043 1.00 0.49 C ATOM 997 CD GLU A 67 -9.485 -6.749 4.894 1.00 0.88 C ATOM 998 OE1 GLU A 67 -8.369 -6.609 5.436 1.00 1.21 O ATOM 999 OE2 GLU A 67 -9.803 -7.761 4.233 1.00 1.36 O ATOM 0 H GLU A 67 -9.927 -3.232 5.924 1.00 0.34 H new ATOM 0 HA GLU A 67 -8.274 -4.336 3.908 1.00 0.37 H new ATOM 0 HB2 GLU A 67 -11.288 -3.964 3.962 1.00 0.42 H new ATOM 0 HB3 GLU A 67 -10.398 -5.103 2.972 1.00 0.42 H new ATOM 0 HG2 GLU A 67 -10.367 -5.150 6.009 1.00 0.49 H new ATOM 0 HG3 GLU A 67 -11.506 -6.065 5.042 1.00 0.49 H new ATOM 1006 N PHE A 68 -10.133 -1.734 3.032 1.00 0.29 N ATOM 1007 CA PHE A 68 -10.258 -0.654 2.062 1.00 0.27 C ATOM 1008 C PHE A 68 -8.987 0.188 2.032 1.00 0.26 C ATOM 1009 O PHE A 68 -8.390 0.388 0.976 1.00 0.32 O ATOM 1010 CB PHE A 68 -11.462 0.230 2.400 1.00 0.26 C ATOM 1011 CG PHE A 68 -11.682 1.345 1.419 1.00 0.30 C ATOM 1012 CD1 PHE A 68 -11.885 1.072 0.077 1.00 0.38 C ATOM 1013 CD2 PHE A 68 -11.687 2.666 1.838 1.00 0.35 C ATOM 1014 CE1 PHE A 68 -12.089 2.092 -0.830 1.00 0.48 C ATOM 1015 CE2 PHE A 68 -11.890 3.691 0.935 1.00 0.45 C ATOM 1016 CZ PHE A 68 -12.091 3.403 -0.401 1.00 0.51 C ATOM 0 H PHE A 68 -10.837 -1.720 3.770 1.00 0.29 H new ATOM 0 HA PHE A 68 -10.409 -1.095 1.077 1.00 0.27 H new ATOM 0 HB2 PHE A 68 -12.358 -0.390 2.440 1.00 0.26 H new ATOM 0 HB3 PHE A 68 -11.323 0.654 3.394 1.00 0.26 H new ATOM 0 HD1 PHE A 68 -11.884 0.047 -0.265 1.00 0.38 H new ATOM 0 HD2 PHE A 68 -11.531 2.896 2.882 1.00 0.35 H new ATOM 0 HE1 PHE A 68 -12.247 1.864 -1.874 1.00 0.48 H new ATOM 0 HE2 PHE A 68 -11.892 4.717 1.273 1.00 0.45 H new ATOM 0 HZ PHE A 68 -12.250 4.203 -1.109 1.00 0.51 H new ATOM 1026 N CYS A 69 -8.581 0.679 3.202 1.00 0.23 N ATOM 1027 CA CYS A 69 -7.376 1.492 3.318 1.00 0.23 C ATOM 1028 C CYS A 69 -6.195 0.774 2.692 1.00 0.27 C ATOM 1029 O CYS A 69 -5.451 1.354 1.905 1.00 0.31 O ATOM 1030 CB CYS A 69 -7.071 1.790 4.784 1.00 0.23 C ATOM 1031 SG CYS A 69 -5.750 2.993 5.039 1.00 0.75 S ATOM 0 H CYS A 69 -9.071 0.526 4.083 1.00 0.23 H new ATOM 0 HA CYS A 69 -7.547 2.431 2.792 1.00 0.23 H new ATOM 0 HB2 CYS A 69 -7.978 2.157 5.264 1.00 0.23 H new ATOM 0 HB3 CYS A 69 -6.800 0.859 5.283 1.00 0.23 H new ATOM 0 HG CYS A 69 -6.194 4.187 4.779 1.00 0.75 H new ATOM 1037 N GLY A 70 -6.025 -0.490 3.069 1.00 0.30 N ATOM 1038 CA GLY A 70 -4.942 -1.291 2.530 1.00 0.35 C ATOM 1039 C GLY A 70 -4.789 -1.115 1.033 1.00 0.37 C ATOM 1040 O GLY A 70 -3.691 -0.851 0.538 1.00 0.41 O ATOM 0 H GLY A 70 -6.621 -0.974 3.741 1.00 0.30 H new ATOM 0 HA2 GLY A 70 -4.009 -1.017 3.023 1.00 0.35 H new ATOM 0 HA3 GLY A 70 -5.124 -2.342 2.754 1.00 0.35 H new ATOM 1044 N ILE A 71 -5.894 -1.258 0.303 1.00 0.37 N ATOM 1045 CA ILE A 71 -5.861 -1.097 -1.144 1.00 0.41 C ATOM 1046 C ILE A 71 -5.555 0.342 -1.519 1.00 0.40 C ATOM 1047 O ILE A 71 -4.664 0.609 -2.319 1.00 0.44 O ATOM 1048 CB ILE A 71 -7.179 -1.518 -1.810 1.00 0.42 C ATOM 1049 CG1 ILE A 71 -7.416 -3.011 -1.599 1.00 0.47 C ATOM 1050 CG2 ILE A 71 -7.137 -1.180 -3.294 1.00 0.46 C ATOM 1051 CD1 ILE A 71 -8.876 -3.376 -1.460 1.00 0.51 C ATOM 0 H ILE A 71 -6.812 -1.482 0.687 1.00 0.37 H new ATOM 0 HA ILE A 71 -5.070 -1.753 -1.508 1.00 0.41 H new ATOM 0 HB ILE A 71 -8.006 -0.973 -1.354 1.00 0.42 H new ATOM 0 HG12 ILE A 71 -6.991 -3.561 -2.439 1.00 0.47 H new ATOM 0 HG13 ILE A 71 -6.883 -3.333 -0.705 1.00 0.47 H new ATOM 0 HG21 ILE A 71 -8.074 -1.481 -3.762 1.00 0.46 H new ATOM 0 HG22 ILE A 71 -6.997 -0.106 -3.419 1.00 0.46 H new ATOM 0 HG23 ILE A 71 -6.310 -1.711 -3.765 1.00 0.46 H new ATOM 0 HD11 ILE A 71 -8.970 -4.452 -1.313 1.00 0.51 H new ATOM 0 HD12 ILE A 71 -9.302 -2.854 -0.603 1.00 0.51 H new ATOM 0 HD13 ILE A 71 -9.411 -3.086 -2.364 1.00 0.51 H new ATOM 1063 N MET A 72 -6.309 1.263 -0.942 1.00 0.38 N ATOM 1064 CA MET A 72 -6.107 2.685 -1.203 1.00 0.41 C ATOM 1065 C MET A 72 -4.630 3.015 -1.128 1.00 0.45 C ATOM 1066 O MET A 72 -4.129 3.844 -1.874 1.00 0.52 O ATOM 1067 CB MET A 72 -6.863 3.535 -0.192 1.00 0.39 C ATOM 1068 CG MET A 72 -8.362 3.318 -0.219 1.00 0.41 C ATOM 1069 SD MET A 72 -9.148 4.076 -1.654 1.00 1.01 S ATOM 1070 CE MET A 72 -8.896 5.815 -1.304 1.00 0.58 C ATOM 0 H MET A 72 -7.066 1.056 -0.291 1.00 0.38 H new ATOM 0 HA MET A 72 -6.487 2.906 -2.201 1.00 0.41 H new ATOM 0 HB2 MET A 72 -6.490 3.313 0.808 1.00 0.39 H new ATOM 0 HB3 MET A 72 -6.653 4.587 -0.385 1.00 0.39 H new ATOM 0 HG2 MET A 72 -8.570 2.248 -0.218 1.00 0.41 H new ATOM 0 HG3 MET A 72 -8.801 3.729 0.690 1.00 0.41 H new ATOM 0 HE1 MET A 72 -9.582 6.411 -1.906 1.00 0.58 H new ATOM 0 HE2 MET A 72 -9.083 6.004 -0.247 1.00 0.58 H new ATOM 0 HE3 MET A 72 -7.869 6.090 -1.545 1.00 0.58 H new ATOM 1080 N ALA A 73 -3.950 2.354 -0.205 1.00 0.46 N ATOM 1081 CA ALA A 73 -2.522 2.546 -0.016 1.00 0.53 C ATOM 1082 C ALA A 73 -1.752 2.119 -1.264 1.00 0.59 C ATOM 1083 O ALA A 73 -0.989 2.904 -1.835 1.00 0.70 O ATOM 1084 CB ALA A 73 -2.052 1.760 1.198 1.00 0.54 C ATOM 0 H ALA A 73 -4.369 1.674 0.430 1.00 0.46 H new ATOM 0 HA ALA A 73 -2.329 3.605 0.154 1.00 0.53 H new ATOM 0 HB1 ALA A 73 -0.981 1.908 1.335 1.00 0.54 H new ATOM 0 HB2 ALA A 73 -2.582 2.108 2.084 1.00 0.54 H new ATOM 0 HB3 ALA A 73 -2.256 0.700 1.046 1.00 0.54 H new ATOM 1090 N LYS A 74 -1.969 0.874 -1.696 1.00 0.55 N ATOM 1091 CA LYS A 74 -1.288 0.351 -2.880 1.00 0.62 C ATOM 1092 C LYS A 74 -1.641 1.173 -4.117 1.00 0.63 C ATOM 1093 O LYS A 74 -0.849 1.272 -5.054 1.00 0.70 O ATOM 1094 CB LYS A 74 -1.631 -1.130 -3.104 1.00 0.63 C ATOM 1095 CG LYS A 74 -3.023 -1.386 -3.658 1.00 0.65 C ATOM 1096 CD LYS A 74 -3.203 -2.849 -4.036 1.00 0.74 C ATOM 1097 CE LYS A 74 -4.529 -3.088 -4.742 1.00 0.73 C ATOM 1098 NZ LYS A 74 -4.726 -4.523 -5.085 1.00 1.38 N ATOM 0 H LYS A 74 -2.606 0.215 -1.247 1.00 0.55 H new ATOM 0 HA LYS A 74 -0.214 0.430 -2.709 1.00 0.62 H new ATOM 0 HB2 LYS A 74 -0.899 -1.558 -3.788 1.00 0.63 H new ATOM 0 HB3 LYS A 74 -1.530 -1.659 -2.156 1.00 0.63 H new ATOM 0 HG2 LYS A 74 -3.770 -1.105 -2.916 1.00 0.65 H new ATOM 0 HG3 LYS A 74 -3.190 -0.758 -4.533 1.00 0.65 H new ATOM 0 HD2 LYS A 74 -2.384 -3.161 -4.684 1.00 0.74 H new ATOM 0 HD3 LYS A 74 -3.152 -3.466 -3.139 1.00 0.74 H new ATOM 0 HE2 LYS A 74 -5.346 -2.752 -4.103 1.00 0.73 H new ATOM 0 HE3 LYS A 74 -4.569 -2.489 -5.652 1.00 0.73 H new ATOM 0 HZ1 LYS A 74 -5.641 -4.643 -5.565 1.00 1.38 H new ATOM 0 HZ2 LYS A 74 -3.961 -4.837 -5.715 1.00 1.38 H new ATOM 0 HZ3 LYS A 74 -4.714 -5.093 -4.215 1.00 1.38 H new ATOM 1112 N GLN A 75 -2.835 1.760 -4.112 1.00 0.59 N ATOM 1113 CA GLN A 75 -3.289 2.583 -5.227 1.00 0.63 C ATOM 1114 C GLN A 75 -2.645 3.967 -5.192 1.00 0.67 C ATOM 1115 O GLN A 75 -2.231 4.495 -6.224 1.00 0.79 O ATOM 1116 CB GLN A 75 -4.808 2.721 -5.205 1.00 0.63 C ATOM 1117 CG GLN A 75 -5.544 1.397 -5.342 1.00 1.04 C ATOM 1118 CD GLN A 75 -7.049 1.569 -5.421 1.00 1.23 C ATOM 1119 OE1 GLN A 75 -7.567 2.600 -4.763 1.00 1.98 O flip ATOM 1120 NE2 GLN A 75 -7.742 0.781 -6.068 1.00 1.54 N flip ATOM 0 H GLN A 75 -3.505 1.680 -3.347 1.00 0.59 H new ATOM 0 HA GLN A 75 -2.987 2.086 -6.149 1.00 0.63 H new ATOM 0 HB2 GLN A 75 -5.107 3.198 -4.272 1.00 0.63 H new ATOM 0 HB3 GLN A 75 -5.116 3.383 -6.014 1.00 0.63 H new ATOM 0 HG2 GLN A 75 -5.194 0.882 -6.237 1.00 1.04 H new ATOM 0 HG3 GLN A 75 -5.299 0.760 -4.492 1.00 1.04 H new ATOM 0 HE21 GLN A 75 -7.304 0.002 -6.559 1.00 1.54 H new ATOM 0 HE22 GLN A 75 -8.753 0.908 -6.112 1.00 1.54 H new ATOM 1129 N MET A 76 -2.563 4.548 -3.998 1.00 0.65 N ATOM 1130 CA MET A 76 -1.979 5.859 -3.818 1.00 0.73 C ATOM 1131 C MET A 76 -0.510 5.861 -4.225 1.00 0.89 C ATOM 1132 O MET A 76 0.056 6.910 -4.535 1.00 1.06 O ATOM 1133 CB MET A 76 -2.114 6.286 -2.363 1.00 0.76 C ATOM 1134 CG MET A 76 -3.523 6.693 -1.973 1.00 0.80 C ATOM 1135 SD MET A 76 -3.568 8.216 -1.012 1.00 1.20 S ATOM 1136 CE MET A 76 -5.182 8.069 -0.253 1.00 0.75 C ATOM 0 H MET A 76 -2.900 4.119 -3.136 1.00 0.65 H new ATOM 0 HA MET A 76 -2.511 6.565 -4.456 1.00 0.73 H new ATOM 0 HB2 MET A 76 -1.792 5.465 -1.722 1.00 0.76 H new ATOM 0 HB3 MET A 76 -1.439 7.121 -2.175 1.00 0.76 H new ATOM 0 HG2 MET A 76 -4.123 6.820 -2.874 1.00 0.80 H new ATOM 0 HG3 MET A 76 -3.982 5.890 -1.395 1.00 0.80 H new ATOM 0 HE1 MET A 76 -5.131 8.411 0.781 1.00 0.75 H new ATOM 0 HE2 MET A 76 -5.899 8.679 -0.802 1.00 0.75 H new ATOM 0 HE3 MET A 76 -5.501 7.027 -0.274 1.00 0.75 H new ATOM 1146 N ARG A 77 0.104 4.678 -4.207 1.00 0.96 N ATOM 1147 CA ARG A 77 1.512 4.531 -4.576 1.00 1.19 C ATOM 1148 C ARG A 77 1.814 5.175 -5.929 1.00 1.32 C ATOM 1149 O ARG A 77 2.976 5.388 -6.275 1.00 1.53 O ATOM 1150 CB ARG A 77 1.902 3.051 -4.608 1.00 1.43 C ATOM 1151 CG ARG A 77 1.842 2.367 -3.248 1.00 1.88 C ATOM 1152 CD ARG A 77 2.698 3.091 -2.220 1.00 2.24 C ATOM 1153 NE ARG A 77 3.991 3.487 -2.769 1.00 3.04 N ATOM 1154 CZ ARG A 77 4.508 4.704 -2.634 1.00 3.73 C ATOM 1155 NH1 ARG A 77 3.854 5.634 -1.951 1.00 3.83 N ATOM 1156 NH2 ARG A 77 5.681 4.994 -3.181 1.00 4.69 N ATOM 0 H ARG A 77 -0.353 3.806 -3.940 1.00 0.96 H new ATOM 0 HA ARG A 77 2.103 5.046 -3.819 1.00 1.19 H new ATOM 0 HB2 ARG A 77 1.241 2.526 -5.297 1.00 1.43 H new ATOM 0 HB3 ARG A 77 2.913 2.960 -5.005 1.00 1.43 H new ATOM 0 HG2 ARG A 77 0.809 2.332 -2.903 1.00 1.88 H new ATOM 0 HG3 ARG A 77 2.181 1.335 -3.343 1.00 1.88 H new ATOM 0 HD2 ARG A 77 2.168 3.975 -1.865 1.00 2.24 H new ATOM 0 HD3 ARG A 77 2.853 2.444 -1.357 1.00 2.24 H new ATOM 0 HE ARG A 77 4.528 2.791 -3.285 1.00 3.04 H new ATOM 0 HH11 ARG A 77 2.952 5.416 -1.528 1.00 3.83 H new ATOM 0 HH12 ARG A 77 4.253 6.567 -1.849 1.00 3.83 H new ATOM 0 HH21 ARG A 77 6.188 4.282 -3.707 1.00 4.69 H new ATOM 0 HH22 ARG A 77 6.076 5.929 -3.076 1.00 4.69 H new ATOM 1170 N GLU A 78 0.767 5.479 -6.692 1.00 1.44 N ATOM 1171 CA GLU A 78 0.929 6.107 -7.999 1.00 1.86 C ATOM 1172 C GLU A 78 1.723 7.407 -7.882 1.00 2.54 C ATOM 1173 O GLU A 78 2.230 7.927 -8.876 1.00 3.23 O ATOM 1174 CB GLU A 78 -0.439 6.387 -8.626 1.00 2.05 C ATOM 1175 CG GLU A 78 -1.348 7.237 -7.754 1.00 2.65 C ATOM 1176 CD GLU A 78 -2.664 7.565 -8.431 1.00 3.46 C ATOM 1177 OE1 GLU A 78 -3.609 6.756 -8.317 1.00 3.90 O ATOM 1178 OE2 GLU A 78 -2.750 8.631 -9.076 1.00 4.01 O ATOM 0 H GLU A 78 -0.202 5.300 -6.427 1.00 1.44 H new ATOM 0 HA GLU A 78 1.481 5.420 -8.640 1.00 1.86 H new ATOM 0 HB2 GLU A 78 -0.294 6.889 -9.583 1.00 2.05 H new ATOM 0 HB3 GLU A 78 -0.934 5.439 -8.835 1.00 2.05 H new ATOM 0 HG2 GLU A 78 -1.545 6.711 -6.820 1.00 2.65 H new ATOM 0 HG3 GLU A 78 -0.835 8.164 -7.496 1.00 2.65 H new ATOM 1185 N THR A 79 1.825 7.921 -6.659 1.00 2.81 N ATOM 1186 CA THR A 79 2.556 9.155 -6.400 1.00 3.72 C ATOM 1187 C THR A 79 3.867 8.866 -5.665 1.00 3.90 C ATOM 1188 O THR A 79 3.857 8.421 -4.517 1.00 4.36 O ATOM 1189 CB THR A 79 1.709 10.134 -5.564 1.00 4.37 C ATOM 1190 OG1 THR A 79 0.405 10.271 -6.144 1.00 4.67 O ATOM 1191 CG2 THR A 79 2.373 11.500 -5.484 1.00 5.28 C ATOM 0 H THR A 79 1.408 7.499 -5.829 1.00 2.81 H new ATOM 0 HA THR A 79 2.778 9.612 -7.364 1.00 3.72 H new ATOM 0 HB THR A 79 1.623 9.730 -4.555 1.00 4.37 H new ATOM 0 HG1 THR A 79 -0.128 10.893 -5.607 1.00 4.67 H new ATOM 0 HG21 THR A 79 1.754 12.171 -4.888 1.00 5.28 H new ATOM 0 HG22 THR A 79 3.353 11.401 -5.018 1.00 5.28 H new ATOM 0 HG23 THR A 79 2.488 11.908 -6.488 1.00 5.28 H new ATOM 1199 N ASP A 80 4.990 9.120 -6.334 1.00 3.93 N ATOM 1200 CA ASP A 80 6.308 8.877 -5.748 1.00 4.35 C ATOM 1201 C ASP A 80 6.859 10.128 -5.064 1.00 4.98 C ATOM 1202 O ASP A 80 8.057 10.403 -5.130 1.00 5.60 O ATOM 1203 CB ASP A 80 7.281 8.412 -6.828 1.00 4.57 C ATOM 1204 CG ASP A 80 7.388 9.396 -7.976 1.00 4.84 C ATOM 1205 OD1 ASP A 80 6.579 9.295 -8.923 1.00 4.80 O ATOM 1206 OD2 ASP A 80 8.280 10.269 -7.930 1.00 5.42 O ATOM 0 H ASP A 80 5.014 9.494 -7.283 1.00 3.93 H new ATOM 0 HA ASP A 80 6.197 8.099 -4.992 1.00 4.35 H new ATOM 0 HB2 ASP A 80 8.267 8.266 -6.386 1.00 4.57 H new ATOM 0 HB3 ASP A 80 6.957 7.445 -7.212 1.00 4.57 H new ATOM 1211 N THR A 81 5.982 10.882 -4.407 1.00 5.18 N ATOM 1212 CA THR A 81 6.391 12.099 -3.708 1.00 6.15 C ATOM 1213 C THR A 81 7.354 11.765 -2.572 1.00 6.80 C ATOM 1214 O THR A 81 7.116 10.835 -1.809 1.00 7.13 O ATOM 1215 CB THR A 81 5.178 12.853 -3.134 1.00 6.60 C ATOM 1216 OG1 THR A 81 5.611 14.045 -2.468 1.00 7.29 O ATOM 1217 CG2 THR A 81 4.407 11.974 -2.163 1.00 6.89 C ATOM 0 H THR A 81 4.986 10.673 -4.343 1.00 5.18 H new ATOM 0 HA THR A 81 6.889 12.739 -4.436 1.00 6.15 H new ATOM 0 HB THR A 81 4.519 13.120 -3.960 1.00 6.60 H new ATOM 0 HG1 THR A 81 4.833 14.519 -2.107 1.00 7.29 H new ATOM 0 HG21 THR A 81 3.554 12.527 -1.770 1.00 6.89 H new ATOM 0 HG22 THR A 81 4.054 11.083 -2.681 1.00 6.89 H new ATOM 0 HG23 THR A 81 5.060 11.681 -1.341 1.00 6.89 H new ATOM 1225 N GLU A 82 8.432 12.541 -2.463 1.00 7.25 N ATOM 1226 CA GLU A 82 9.453 12.318 -1.436 1.00 8.05 C ATOM 1227 C GLU A 82 8.927 12.569 -0.021 1.00 8.92 C ATOM 1228 O GLU A 82 9.471 12.042 0.951 1.00 9.53 O ATOM 1229 CB GLU A 82 10.667 13.212 -1.699 1.00 8.64 C ATOM 1230 CG GLU A 82 11.479 12.803 -2.920 1.00 8.69 C ATOM 1231 CD GLU A 82 10.710 12.962 -4.216 1.00 9.34 C ATOM 1232 OE1 GLU A 82 10.646 14.097 -4.734 1.00 9.74 O ATOM 1233 OE2 GLU A 82 10.175 11.951 -4.717 1.00 9.63 O ATOM 0 H GLU A 82 8.623 13.334 -3.076 1.00 7.25 H new ATOM 0 HA GLU A 82 9.741 11.269 -1.496 1.00 8.05 H new ATOM 0 HB2 GLU A 82 10.328 14.240 -1.827 1.00 8.64 H new ATOM 0 HB3 GLU A 82 11.314 13.197 -0.822 1.00 8.64 H new ATOM 0 HG2 GLU A 82 12.387 13.405 -2.965 1.00 8.69 H new ATOM 0 HG3 GLU A 82 11.790 11.764 -2.812 1.00 8.69 H new ATOM 1240 N GLU A 83 7.875 13.373 0.093 1.00 9.15 N ATOM 1241 CA GLU A 83 7.299 13.699 1.397 1.00 10.17 C ATOM 1242 C GLU A 83 6.714 12.465 2.084 1.00 10.27 C ATOM 1243 O GLU A 83 7.090 12.123 3.212 1.00 11.05 O ATOM 1244 CB GLU A 83 6.210 14.760 1.228 1.00 10.55 C ATOM 1245 CG GLU A 83 6.712 16.049 0.598 1.00 10.83 C ATOM 1246 CD GLU A 83 5.628 17.102 0.479 1.00 11.60 C ATOM 1247 OE1 GLU A 83 4.935 17.126 -0.560 1.00 11.85 O ATOM 1248 OE2 GLU A 83 5.472 17.904 1.423 1.00 12.11 O ATOM 0 H GLU A 83 7.403 13.811 -0.698 1.00 9.15 H new ATOM 0 HA GLU A 83 8.100 14.084 2.029 1.00 10.17 H new ATOM 0 HB2 GLU A 83 5.409 14.352 0.612 1.00 10.55 H new ATOM 0 HB3 GLU A 83 5.779 14.985 2.203 1.00 10.55 H new ATOM 0 HG2 GLU A 83 7.533 16.445 1.195 1.00 10.83 H new ATOM 0 HG3 GLU A 83 7.113 15.833 -0.392 1.00 10.83 H new ATOM 1255 N GLU A 84 5.798 11.797 1.393 1.00 9.63 N ATOM 1256 CA GLU A 84 5.147 10.608 1.929 1.00 9.95 C ATOM 1257 C GLU A 84 6.168 9.523 2.257 1.00 9.87 C ATOM 1258 O GLU A 84 5.890 8.608 3.034 1.00 10.51 O ATOM 1259 CB GLU A 84 4.122 10.072 0.930 1.00 9.47 C ATOM 1260 CG GLU A 84 3.033 9.230 1.573 1.00 9.88 C ATOM 1261 CD GLU A 84 2.157 10.035 2.511 1.00 10.40 C ATOM 1262 OE1 GLU A 84 2.528 10.176 3.696 1.00 10.87 O ATOM 1263 OE2 GLU A 84 1.099 10.524 2.063 1.00 10.49 O ATOM 0 H GLU A 84 5.489 12.060 0.457 1.00 9.63 H new ATOM 0 HA GLU A 84 4.638 10.890 2.851 1.00 9.95 H new ATOM 0 HB2 GLU A 84 3.661 10.911 0.408 1.00 9.47 H new ATOM 0 HB3 GLU A 84 4.637 9.474 0.179 1.00 9.47 H new ATOM 0 HG2 GLU A 84 2.414 8.786 0.794 1.00 9.88 H new ATOM 0 HG3 GLU A 84 3.491 8.408 2.124 1.00 9.88 H new ATOM 1270 N MET A 85 7.352 9.637 1.668 1.00 9.31 N ATOM 1271 CA MET A 85 8.411 8.662 1.890 1.00 9.45 C ATOM 1272 C MET A 85 9.031 8.850 3.262 1.00 10.49 C ATOM 1273 O MET A 85 9.182 7.893 4.018 1.00 11.09 O ATOM 1274 CB MET A 85 9.492 8.799 0.823 1.00 8.75 C ATOM 1275 CG MET A 85 8.941 9.080 -0.557 1.00 7.71 C ATOM 1276 SD MET A 85 7.774 7.828 -1.115 1.00 7.19 S ATOM 1277 CE MET A 85 8.562 7.307 -2.633 1.00 6.73 C ATOM 0 H MET A 85 7.602 10.395 1.033 1.00 9.31 H new ATOM 0 HA MET A 85 7.971 7.667 1.831 1.00 9.45 H new ATOM 0 HB2 MET A 85 10.171 9.603 1.106 1.00 8.75 H new ATOM 0 HB3 MET A 85 10.080 7.882 0.792 1.00 8.75 H new ATOM 0 HG2 MET A 85 8.449 10.053 -0.555 1.00 7.71 H new ATOM 0 HG3 MET A 85 9.766 9.142 -1.266 1.00 7.71 H new ATOM 0 HE1 MET A 85 7.808 7.182 -3.410 1.00 6.73 H new ATOM 0 HE2 MET A 85 9.284 8.061 -2.946 1.00 6.73 H new ATOM 0 HE3 MET A 85 9.075 6.359 -2.470 1.00 6.73 H new ATOM 1287 N ARG A 86 9.398 10.088 3.571 1.00 10.82 N ATOM 1288 CA ARG A 86 10.000 10.400 4.858 1.00 11.88 C ATOM 1289 C ARG A 86 9.097 9.924 5.986 1.00 12.66 C ATOM 1290 O ARG A 86 9.567 9.347 6.969 1.00 13.43 O ATOM 1291 CB ARG A 86 10.258 11.902 4.977 1.00 12.21 C ATOM 1292 CG ARG A 86 11.407 12.244 5.911 1.00 13.16 C ATOM 1293 CD ARG A 86 11.667 13.742 5.951 1.00 13.63 C ATOM 1294 NE ARG A 86 12.827 14.073 6.775 1.00 14.25 N ATOM 1295 CZ ARG A 86 13.297 15.308 6.927 1.00 14.86 C ATOM 1296 NH1 ARG A 86 12.712 16.327 6.312 1.00 14.96 N ATOM 1297 NH2 ARG A 86 14.355 15.524 7.696 1.00 15.52 N ATOM 0 H ARG A 86 9.289 10.889 2.949 1.00 10.82 H new ATOM 0 HA ARG A 86 10.956 9.881 4.933 1.00 11.88 H new ATOM 0 HB2 ARG A 86 10.471 12.306 3.987 1.00 12.21 H new ATOM 0 HB3 ARG A 86 9.352 12.392 5.333 1.00 12.21 H new ATOM 0 HG2 ARG A 86 11.180 11.886 6.915 1.00 13.16 H new ATOM 0 HG3 ARG A 86 12.309 11.726 5.585 1.00 13.16 H new ATOM 0 HD2 ARG A 86 11.825 14.110 4.937 1.00 13.63 H new ATOM 0 HD3 ARG A 86 10.787 14.253 6.342 1.00 13.63 H new ATOM 0 HE ARG A 86 13.304 13.314 7.262 1.00 14.25 H new ATOM 0 HH11 ARG A 86 11.898 16.166 5.719 1.00 14.96 H new ATOM 0 HH12 ARG A 86 13.076 17.272 6.432 1.00 14.96 H new ATOM 0 HH21 ARG A 86 14.808 14.743 8.171 1.00 15.52 H new ATOM 0 HH22 ARG A 86 14.716 16.471 7.813 1.00 15.52 H new ATOM 1311 N GLU A 87 7.797 10.165 5.840 1.00 12.58 N ATOM 1312 CA GLU A 87 6.834 9.732 6.845 1.00 13.44 C ATOM 1313 C GLU A 87 6.882 8.214 6.993 1.00 13.54 C ATOM 1314 O GLU A 87 6.851 7.680 8.105 1.00 14.45 O ATOM 1315 CB GLU A 87 5.422 10.182 6.465 1.00 13.42 C ATOM 1316 CG GLU A 87 5.251 11.692 6.441 1.00 14.12 C ATOM 1317 CD GLU A 87 5.539 12.334 7.784 1.00 14.57 C ATOM 1318 OE1 GLU A 87 4.641 12.326 8.651 1.00 14.85 O ATOM 1319 OE2 GLU A 87 6.665 12.843 7.967 1.00 14.77 O ATOM 0 H GLU A 87 7.390 10.653 5.043 1.00 12.58 H new ATOM 0 HA GLU A 87 7.096 10.190 7.799 1.00 13.44 H new ATOM 0 HB2 GLU A 87 5.174 9.781 5.482 1.00 13.42 H new ATOM 0 HB3 GLU A 87 4.711 9.755 7.172 1.00 13.42 H new ATOM 0 HG2 GLU A 87 5.916 12.117 5.689 1.00 14.12 H new ATOM 0 HG3 GLU A 87 4.232 11.934 6.138 1.00 14.12 H new ATOM 1326 N ALA A 88 6.967 7.525 5.858 1.00 12.70 N ATOM 1327 CA ALA A 88 7.030 6.069 5.848 1.00 12.92 C ATOM 1328 C ALA A 88 8.363 5.574 6.399 1.00 13.38 C ATOM 1329 O ALA A 88 8.470 4.439 6.865 1.00 14.11 O ATOM 1330 CB ALA A 88 6.814 5.543 4.436 1.00 12.02 C ATOM 0 H ALA A 88 6.994 7.954 4.933 1.00 12.70 H new ATOM 0 HA ALA A 88 6.237 5.690 6.492 1.00 12.92 H new ATOM 0 HB1 ALA A 88 6.863 4.454 4.442 1.00 12.02 H new ATOM 0 HB2 ALA A 88 5.835 5.860 4.075 1.00 12.02 H new ATOM 0 HB3 ALA A 88 7.588 5.938 3.778 1.00 12.02 H new ATOM 1336 N PHE A 89 9.382 6.431 6.343 1.00 13.10 N ATOM 1337 CA PHE A 89 10.705 6.077 6.842 1.00 13.68 C ATOM 1338 C PHE A 89 10.685 5.954 8.360 1.00 14.81 C ATOM 1339 O PHE A 89 11.289 5.044 8.928 1.00 15.53 O ATOM 1340 CB PHE A 89 11.733 7.126 6.412 1.00 13.32 C ATOM 1341 CG PHE A 89 13.127 6.833 6.889 1.00 14.09 C ATOM 1342 CD1 PHE A 89 13.887 5.844 6.286 1.00 14.63 C ATOM 1343 CD2 PHE A 89 13.674 7.543 7.945 1.00 14.41 C ATOM 1344 CE1 PHE A 89 15.167 5.571 6.725 1.00 15.44 C ATOM 1345 CE2 PHE A 89 14.954 7.273 8.389 1.00 15.22 C ATOM 1346 CZ PHE A 89 15.701 6.286 7.778 1.00 15.73 C ATOM 0 H PHE A 89 9.314 7.373 5.957 1.00 13.10 H new ATOM 0 HA PHE A 89 10.988 5.114 6.418 1.00 13.68 H new ATOM 0 HB2 PHE A 89 11.737 7.194 5.324 1.00 13.32 H new ATOM 0 HB3 PHE A 89 11.426 8.101 6.791 1.00 13.32 H new ATOM 0 HD1 PHE A 89 13.473 5.280 5.463 1.00 14.63 H new ATOM 0 HD2 PHE A 89 13.094 8.316 8.427 1.00 14.41 H new ATOM 0 HE1 PHE A 89 15.750 4.799 6.245 1.00 15.44 H new ATOM 0 HE2 PHE A 89 15.370 7.834 9.213 1.00 15.22 H new ATOM 0 HZ PHE A 89 16.702 6.074 8.123 1.00 15.73 H new ATOM 1356 N LYS A 90 9.989 6.880 9.008 1.00 15.06 N ATOM 1357 CA LYS A 90 9.878 6.876 10.462 1.00 16.18 C ATOM 1358 C LYS A 90 9.044 5.691 10.934 1.00 16.76 C ATOM 1359 O LYS A 90 9.351 5.066 11.950 1.00 17.66 O ATOM 1360 CB LYS A 90 9.241 8.176 10.952 1.00 16.38 C ATOM 1361 CG LYS A 90 9.977 9.429 10.505 1.00 16.21 C ATOM 1362 CD LYS A 90 9.339 10.688 11.075 1.00 16.55 C ATOM 1363 CE LYS A 90 7.919 10.880 10.563 1.00 16.86 C ATOM 1364 NZ LYS A 90 7.255 12.055 11.195 1.00 17.18 N ATOM 0 H LYS A 90 9.492 7.644 8.550 1.00 15.06 H new ATOM 0 HA LYS A 90 10.882 6.790 10.877 1.00 16.18 H new ATOM 0 HB2 LYS A 90 8.213 8.223 10.593 1.00 16.38 H new ATOM 0 HB3 LYS A 90 9.198 8.160 12.041 1.00 16.38 H new ATOM 0 HG2 LYS A 90 11.018 9.373 10.822 1.00 16.21 H new ATOM 0 HG3 LYS A 90 9.978 9.482 9.416 1.00 16.21 H new ATOM 0 HD2 LYS A 90 9.329 10.630 12.163 1.00 16.55 H new ATOM 0 HD3 LYS A 90 9.943 11.555 10.808 1.00 16.55 H new ATOM 0 HE2 LYS A 90 7.938 11.012 9.481 1.00 16.86 H new ATOM 0 HE3 LYS A 90 7.336 9.981 10.764 1.00 16.86 H new ATOM 0 HZ1 LYS A 90 6.290 12.152 10.820 1.00 17.18 H new ATOM 0 HZ2 LYS A 90 7.214 11.918 12.225 1.00 17.18 H new ATOM 0 HZ3 LYS A 90 7.797 12.916 10.982 1.00 17.18 H new ATOM 1378 N ILE A 91 7.985 5.389 10.189 1.00 16.32 N ATOM 1379 CA ILE A 91 7.099 4.280 10.529 1.00 16.96 C ATOM 1380 C ILE A 91 7.799 2.933 10.357 1.00 17.21 C ATOM 1381 O ILE A 91 7.691 2.056 11.215 1.00 18.15 O ATOM 1382 CB ILE A 91 5.820 4.299 9.668 1.00 16.50 C ATOM 1383 CG1 ILE A 91 5.074 5.621 9.860 1.00 16.43 C ATOM 1384 CG2 ILE A 91 4.922 3.121 10.020 1.00 17.34 C ATOM 1385 CD1 ILE A 91 3.905 5.804 8.917 1.00 16.26 C ATOM 0 H ILE A 91 7.719 5.897 9.345 1.00 16.32 H new ATOM 0 HA ILE A 91 6.826 4.407 11.577 1.00 16.96 H new ATOM 0 HB ILE A 91 6.104 4.210 8.619 1.00 16.50 H new ATOM 0 HG12 ILE A 91 4.713 5.678 10.887 1.00 16.43 H new ATOM 0 HG13 ILE A 91 5.773 6.446 9.722 1.00 16.43 H new ATOM 0 HG21 ILE A 91 4.024 3.151 9.403 1.00 17.34 H new ATOM 0 HG22 ILE A 91 5.457 2.189 9.838 1.00 17.34 H new ATOM 0 HG23 ILE A 91 4.641 3.179 11.072 1.00 17.34 H new ATOM 0 HD11 ILE A 91 3.426 6.763 9.113 1.00 16.26 H new ATOM 0 HD12 ILE A 91 4.261 5.780 7.887 1.00 16.26 H new ATOM 0 HD13 ILE A 91 3.184 5.001 9.071 1.00 16.26 H new ATOM 1397 N PHE A 92 8.517 2.774 9.249 1.00 16.44 N ATOM 1398 CA PHE A 92 9.224 1.529 8.971 1.00 16.75 C ATOM 1399 C PHE A 92 10.373 1.312 9.950 1.00 17.52 C ATOM 1400 O PHE A 92 10.441 0.281 10.618 1.00 18.34 O ATOM 1401 CB PHE A 92 9.754 1.524 7.537 1.00 15.83 C ATOM 1402 CG PHE A 92 8.832 0.849 6.562 1.00 15.63 C ATOM 1403 CD1 PHE A 92 7.666 1.469 6.143 1.00 15.79 C ATOM 1404 CD2 PHE A 92 9.133 -0.409 6.065 1.00 15.41 C ATOM 1405 CE1 PHE A 92 6.819 0.847 5.246 1.00 15.74 C ATOM 1406 CE2 PHE A 92 8.290 -1.035 5.167 1.00 15.39 C ATOM 1407 CZ PHE A 92 7.131 -0.406 4.757 1.00 15.56 C ATOM 0 H PHE A 92 8.624 3.490 8.531 1.00 16.44 H new ATOM 0 HA PHE A 92 8.513 0.711 9.093 1.00 16.75 H new ATOM 0 HB2 PHE A 92 9.921 2.552 7.216 1.00 15.83 H new ATOM 0 HB3 PHE A 92 10.722 1.023 7.517 1.00 15.83 H new ATOM 0 HD1 PHE A 92 7.416 2.449 6.522 1.00 15.79 H new ATOM 0 HD2 PHE A 92 10.037 -0.906 6.383 1.00 15.41 H new ATOM 0 HE1 PHE A 92 5.913 1.341 4.927 1.00 15.74 H new ATOM 0 HE2 PHE A 92 8.537 -2.015 4.786 1.00 15.39 H new ATOM 0 HZ PHE A 92 6.470 -0.893 4.055 1.00 15.56 H new ATOM 1417 N ASP A 93 11.275 2.285 10.031 1.00 17.35 N ATOM 1418 CA ASP A 93 12.418 2.194 10.933 1.00 18.13 C ATOM 1419 C ASP A 93 11.949 1.944 12.362 1.00 19.15 C ATOM 1420 O ASP A 93 11.546 2.871 13.065 1.00 19.29 O ATOM 1421 CB ASP A 93 13.251 3.476 10.869 1.00 17.78 C ATOM 1422 CG ASP A 93 14.619 3.318 11.508 1.00 18.61 C ATOM 1423 OD1 ASP A 93 14.823 2.332 12.248 1.00 18.99 O ATOM 1424 OD2 ASP A 93 15.489 4.183 11.267 1.00 18.94 O ATOM 0 H ASP A 93 11.237 3.145 9.484 1.00 17.35 H new ATOM 0 HA ASP A 93 13.040 1.356 10.618 1.00 18.13 H new ATOM 0 HB2 ASP A 93 13.373 3.773 9.828 1.00 17.78 H new ATOM 0 HB3 ASP A 93 12.712 4.280 11.369 1.00 17.78 H new ATOM 1429 N ARG A 94 12.002 0.683 12.784 1.00 19.94 N ATOM 1430 CA ARG A 94 11.571 0.303 14.126 1.00 20.98 C ATOM 1431 C ARG A 94 12.320 1.104 15.187 1.00 21.56 C ATOM 1432 O ARG A 94 11.772 1.417 16.243 1.00 22.25 O ATOM 1433 CB ARG A 94 11.794 -1.195 14.361 1.00 21.74 C ATOM 1434 CG ARG A 94 11.328 -2.087 13.219 1.00 21.43 C ATOM 1435 CD ARG A 94 9.834 -1.967 12.967 1.00 21.19 C ATOM 1436 NE ARG A 94 9.059 -2.049 14.202 1.00 21.42 N ATOM 1437 CZ ARG A 94 7.782 -1.690 14.297 1.00 21.61 C ATOM 1438 NH1 ARG A 94 7.139 -1.225 13.234 1.00 21.58 N ATOM 1439 NH2 ARG A 94 7.147 -1.793 15.457 1.00 21.94 N ATOM 0 H ARG A 94 12.340 -0.093 12.215 1.00 19.94 H new ATOM 0 HA ARG A 94 10.506 0.523 14.207 1.00 20.98 H new ATOM 0 HB2 ARG A 94 12.856 -1.369 14.532 1.00 21.74 H new ATOM 0 HB3 ARG A 94 11.272 -1.489 15.272 1.00 21.74 H new ATOM 0 HG2 ARG A 94 11.870 -1.824 12.311 1.00 21.43 H new ATOM 0 HG3 ARG A 94 11.574 -3.124 13.447 1.00 21.43 H new ATOM 0 HD2 ARG A 94 9.626 -1.019 12.471 1.00 21.19 H new ATOM 0 HD3 ARG A 94 9.517 -2.758 12.288 1.00 21.19 H new ATOM 0 HE ARG A 94 9.523 -2.402 15.039 1.00 21.42 H new ATOM 0 HH11 ARG A 94 7.624 -1.142 12.341 1.00 21.58 H new ATOM 0 HH12 ARG A 94 6.160 -0.951 13.310 1.00 21.58 H new ATOM 0 HH21 ARG A 94 7.638 -2.148 16.278 1.00 21.94 H new ATOM 0 HH22 ARG A 94 6.168 -1.517 15.528 1.00 21.94 H new ATOM 1453 N ASP A 95 13.575 1.434 14.896 1.00 21.37 N ATOM 1454 CA ASP A 95 14.402 2.195 15.826 1.00 21.99 C ATOM 1455 C ASP A 95 14.484 3.660 15.409 1.00 21.37 C ATOM 1456 O ASP A 95 14.052 4.030 14.317 1.00 20.39 O ATOM 1457 CB ASP A 95 15.809 1.599 15.889 1.00 22.48 C ATOM 1458 CG ASP A 95 15.795 0.086 15.936 1.00 22.92 C ATOM 1459 OD1 ASP A 95 15.378 -0.474 16.971 1.00 22.92 O ATOM 1460 OD2 ASP A 95 16.201 -0.540 14.934 1.00 23.34 O ATOM 0 H ASP A 95 14.041 1.186 14.023 1.00 21.37 H new ATOM 0 HA ASP A 95 13.941 2.139 16.812 1.00 21.99 H new ATOM 0 HB2 ASP A 95 16.379 1.927 15.020 1.00 22.48 H new ATOM 0 HB3 ASP A 95 16.323 1.982 16.770 1.00 22.48 H new ATOM 1465 N GLY A 96 15.040 4.487 16.289 1.00 22.00 N ATOM 1466 CA GLY A 96 15.174 5.901 15.997 1.00 21.64 C ATOM 1467 C GLY A 96 16.574 6.267 15.545 1.00 21.55 C ATOM 1468 O GLY A 96 16.885 7.443 15.355 1.00 21.40 O ATOM 0 H GLY A 96 15.400 4.202 17.200 1.00 22.00 H new ATOM 0 HA2 GLY A 96 14.460 6.178 15.221 1.00 21.64 H new ATOM 0 HA3 GLY A 96 14.919 6.479 16.886 1.00 21.64 H new ATOM 1472 N ASP A 97 17.422 5.255 15.376 1.00 21.75 N ATOM 1473 CA ASP A 97 18.800 5.470 14.949 1.00 21.82 C ATOM 1474 C ASP A 97 18.858 6.185 13.602 1.00 20.80 C ATOM 1475 O ASP A 97 19.708 7.050 13.385 1.00 20.85 O ATOM 1476 CB ASP A 97 19.546 4.136 14.869 1.00 22.28 C ATOM 1477 CG ASP A 97 19.073 3.271 13.717 1.00 21.72 C ATOM 1478 OD1 ASP A 97 18.032 2.597 13.867 1.00 21.34 O ATOM 1479 OD2 ASP A 97 19.744 3.268 12.665 1.00 21.74 O ATOM 0 H ASP A 97 17.177 4.277 15.529 1.00 21.75 H new ATOM 0 HA ASP A 97 19.284 6.106 15.690 1.00 21.82 H new ATOM 0 HB2 ASP A 97 20.614 4.327 14.760 1.00 22.28 H new ATOM 0 HB3 ASP A 97 19.413 3.593 15.805 1.00 22.28 H new ATOM 1484 N GLY A 98 17.950 5.822 12.699 1.00 19.93 N ATOM 1485 CA GLY A 98 17.916 6.448 11.388 1.00 18.92 C ATOM 1486 C GLY A 98 18.257 5.486 10.265 1.00 18.54 C ATOM 1487 O GLY A 98 18.582 5.910 9.156 1.00 17.94 O ATOM 0 H GLY A 98 17.239 5.107 12.851 1.00 19.93 H new ATOM 0 HA2 GLY A 98 16.923 6.863 11.215 1.00 18.92 H new ATOM 0 HA3 GLY A 98 18.618 7.282 11.371 1.00 18.92 H new ATOM 1491 N PHE A 99 18.189 4.188 10.551 1.00 19.01 N ATOM 1492 CA PHE A 99 18.493 3.167 9.552 1.00 18.88 C ATOM 1493 C PHE A 99 17.603 1.942 9.740 1.00 18.97 C ATOM 1494 O PHE A 99 17.149 1.657 10.851 1.00 19.56 O ATOM 1495 CB PHE A 99 19.965 2.757 9.636 1.00 19.81 C ATOM 1496 CG PHE A 99 20.925 3.873 9.334 1.00 19.89 C ATOM 1497 CD1 PHE A 99 21.280 4.165 8.027 1.00 20.07 C ATOM 1498 CD2 PHE A 99 21.473 4.630 10.357 1.00 19.90 C ATOM 1499 CE1 PHE A 99 22.163 5.190 7.745 1.00 20.28 C ATOM 1500 CE2 PHE A 99 22.356 5.657 10.083 1.00 20.10 C ATOM 1501 CZ PHE A 99 22.702 5.938 8.775 1.00 20.30 C ATOM 0 H PHE A 99 17.926 3.819 11.465 1.00 19.01 H new ATOM 0 HA PHE A 99 18.298 3.592 8.567 1.00 18.88 H new ATOM 0 HB2 PHE A 99 20.169 2.375 10.636 1.00 19.81 H new ATOM 0 HB3 PHE A 99 20.144 1.938 8.940 1.00 19.81 H new ATOM 0 HD1 PHE A 99 20.861 3.584 7.218 1.00 20.07 H new ATOM 0 HD2 PHE A 99 21.207 4.415 11.381 1.00 19.90 H new ATOM 0 HE1 PHE A 99 22.432 5.406 6.722 1.00 20.28 H new ATOM 0 HE2 PHE A 99 22.775 6.239 10.890 1.00 20.10 H new ATOM 0 HZ PHE A 99 23.392 6.740 8.558 1.00 20.30 H new ATOM 1511 N ILE A 100 17.356 1.219 8.649 1.00 18.48 N ATOM 1512 CA ILE A 100 16.521 0.025 8.700 1.00 18.67 C ATOM 1513 C ILE A 100 17.335 -1.228 8.385 1.00 19.37 C ATOM 1514 O ILE A 100 18.168 -1.228 7.479 1.00 19.21 O ATOM 1515 CB ILE A 100 15.342 0.122 7.712 1.00 17.64 C ATOM 1516 CG1 ILE A 100 14.541 1.402 7.969 1.00 16.97 C ATOM 1517 CG2 ILE A 100 14.448 -1.105 7.831 1.00 18.04 C ATOM 1518 CD1 ILE A 100 13.432 1.638 6.966 1.00 15.92 C ATOM 0 H ILE A 100 17.722 1.440 7.723 1.00 18.48 H new ATOM 0 HA ILE A 100 16.129 -0.046 9.715 1.00 18.67 H new ATOM 0 HB ILE A 100 15.737 0.160 6.697 1.00 17.64 H new ATOM 0 HG12 ILE A 100 14.110 1.356 8.969 1.00 16.97 H new ATOM 0 HG13 ILE A 100 15.220 2.254 7.953 1.00 16.97 H new ATOM 0 HG21 ILE A 100 13.620 -1.022 7.127 1.00 18.04 H new ATOM 0 HG22 ILE A 100 15.027 -2.000 7.606 1.00 18.04 H new ATOM 0 HG23 ILE A 100 14.056 -1.172 8.846 1.00 18.04 H new ATOM 0 HD11 ILE A 100 12.909 2.562 7.212 1.00 15.92 H new ATOM 0 HD12 ILE A 100 13.857 1.717 5.965 1.00 15.92 H new ATOM 0 HD13 ILE A 100 12.730 0.805 6.997 1.00 15.92 H new ATOM 1530 N SER A 101 17.084 -2.292 9.143 1.00 20.25 N ATOM 1531 CA SER A 101 17.787 -3.557 8.954 1.00 21.07 C ATOM 1532 C SER A 101 16.828 -4.650 8.492 1.00 21.23 C ATOM 1533 O SER A 101 15.623 -4.553 8.725 1.00 20.98 O ATOM 1534 CB SER A 101 18.475 -3.980 10.254 1.00 22.16 C ATOM 1535 OG SER A 101 19.587 -3.150 10.538 1.00 22.49 O ATOM 0 H SER A 101 16.396 -2.303 9.896 1.00 20.25 H new ATOM 0 HA SER A 101 18.542 -3.413 8.181 1.00 21.07 H new ATOM 0 HB2 SER A 101 17.763 -3.933 11.078 1.00 22.16 H new ATOM 0 HB3 SER A 101 18.802 -5.017 10.175 1.00 22.16 H new ATOM 0 HG SER A 101 20.007 -3.441 11.374 1.00 22.49 H new ATOM 1541 N PRO A 102 17.341 -5.699 7.816 1.00 21.74 N ATOM 1542 CA PRO A 102 16.510 -6.803 7.327 1.00 22.05 C ATOM 1543 C PRO A 102 15.459 -7.231 8.346 1.00 22.55 C ATOM 1544 O PRO A 102 14.318 -7.527 7.990 1.00 22.43 O ATOM 1545 CB PRO A 102 17.527 -7.918 7.096 1.00 23.00 C ATOM 1546 CG PRO A 102 18.784 -7.205 6.730 1.00 22.78 C ATOM 1547 CD PRO A 102 18.767 -5.899 7.485 1.00 22.19 C ATOM 0 HA PRO A 102 15.941 -6.533 6.437 1.00 22.05 H new ATOM 0 HB2 PRO A 102 17.661 -8.525 7.991 1.00 23.00 H new ATOM 0 HB3 PRO A 102 17.206 -8.590 6.300 1.00 23.00 H new ATOM 0 HG2 PRO A 102 19.659 -7.797 6.998 1.00 22.78 H new ATOM 0 HG3 PRO A 102 18.834 -7.032 5.655 1.00 22.78 H new ATOM 0 HD2 PRO A 102 19.383 -5.949 8.383 1.00 22.19 H new ATOM 0 HD3 PRO A 102 19.155 -5.081 6.878 1.00 22.19 H new ATOM 1555 N ALA A 103 15.853 -7.251 9.615 1.00 23.17 N ATOM 1556 CA ALA A 103 14.946 -7.630 10.694 1.00 23.77 C ATOM 1557 C ALA A 103 13.769 -6.667 10.768 1.00 23.02 C ATOM 1558 O ALA A 103 12.610 -7.079 10.806 1.00 23.22 O ATOM 1559 CB ALA A 103 15.691 -7.646 12.020 1.00 24.56 C ATOM 0 H ALA A 103 16.795 -7.009 9.922 1.00 23.17 H new ATOM 0 HA ALA A 103 14.563 -8.629 10.489 1.00 23.77 H new ATOM 0 HB1 ALA A 103 15.006 -7.930 12.819 1.00 24.56 H new ATOM 0 HB2 ALA A 103 16.508 -8.366 11.970 1.00 24.56 H new ATOM 0 HB3 ALA A 103 16.094 -6.654 12.223 1.00 24.56 H new ATOM 1565 N GLU A 104 14.087 -5.378 10.788 1.00 22.23 N ATOM 1566 CA GLU A 104 13.082 -4.330 10.857 1.00 21.53 C ATOM 1567 C GLU A 104 12.206 -4.323 9.608 1.00 20.75 C ATOM 1568 O GLU A 104 11.042 -3.927 9.657 1.00 20.59 O ATOM 1569 CB GLU A 104 13.767 -2.973 11.008 1.00 20.94 C ATOM 1570 CG GLU A 104 14.564 -2.832 12.293 1.00 21.74 C ATOM 1571 CD GLU A 104 15.213 -1.469 12.423 1.00 21.28 C ATOM 1572 OE1 GLU A 104 14.504 -0.509 12.792 1.00 21.43 O ATOM 1573 OE2 GLU A 104 16.427 -1.359 12.155 1.00 20.84 O ATOM 0 H GLU A 104 15.046 -5.033 10.757 1.00 22.23 H new ATOM 0 HA GLU A 104 12.446 -4.524 11.720 1.00 21.53 H new ATOM 0 HB2 GLU A 104 14.432 -2.815 10.159 1.00 20.94 H new ATOM 0 HB3 GLU A 104 13.011 -2.188 10.971 1.00 20.94 H new ATOM 0 HG2 GLU A 104 13.906 -3.001 13.146 1.00 21.74 H new ATOM 0 HG3 GLU A 104 15.334 -3.603 12.326 1.00 21.74 H new ATOM 1580 N LEU A 105 12.771 -4.769 8.490 1.00 20.36 N ATOM 1581 CA LEU A 105 12.046 -4.794 7.228 1.00 19.67 C ATOM 1582 C LEU A 105 10.869 -5.761 7.281 1.00 20.33 C ATOM 1583 O LEU A 105 9.730 -5.373 7.021 1.00 19.95 O ATOM 1584 CB LEU A 105 12.988 -5.175 6.087 1.00 19.42 C ATOM 1585 CG LEU A 105 12.380 -5.098 4.685 1.00 18.62 C ATOM 1586 CD1 LEU A 105 11.864 -3.697 4.396 1.00 17.90 C ATOM 1587 CD2 LEU A 105 13.407 -5.507 3.647 1.00 18.59 C ATOM 0 H LEU A 105 13.728 -5.117 8.434 1.00 20.36 H new ATOM 0 HA LEU A 105 11.651 -3.794 7.049 1.00 19.67 H new ATOM 0 HB2 LEU A 105 13.860 -4.522 6.124 1.00 19.42 H new ATOM 0 HB3 LEU A 105 13.344 -6.191 6.256 1.00 19.42 H new ATOM 0 HG LEU A 105 11.537 -5.787 4.637 1.00 18.62 H new ATOM 0 HD11 LEU A 105 11.436 -3.666 3.394 1.00 17.90 H new ATOM 0 HD12 LEU A 105 11.098 -3.434 5.126 1.00 17.90 H new ATOM 0 HD13 LEU A 105 12.687 -2.985 4.461 1.00 17.90 H new ATOM 0 HD21 LEU A 105 12.963 -5.448 2.653 1.00 18.59 H new ATOM 0 HD22 LEU A 105 14.265 -4.838 3.701 1.00 18.59 H new ATOM 0 HD23 LEU A 105 13.732 -6.530 3.840 1.00 18.59 H new ATOM 1599 N ARG A 106 11.141 -7.018 7.619 1.00 21.40 N ATOM 1600 CA ARG A 106 10.085 -8.021 7.701 1.00 22.20 C ATOM 1601 C ARG A 106 9.099 -7.669 8.806 1.00 22.44 C ATOM 1602 O ARG A 106 7.892 -7.849 8.655 1.00 22.57 O ATOM 1603 CB ARG A 106 10.663 -9.415 7.955 1.00 23.35 C ATOM 1604 CG ARG A 106 11.537 -9.507 9.196 1.00 24.22 C ATOM 1605 CD ARG A 106 11.543 -10.917 9.763 1.00 25.21 C ATOM 1606 NE ARG A 106 12.630 -11.124 10.717 1.00 25.76 N ATOM 1607 CZ ARG A 106 12.944 -12.310 11.229 1.00 26.69 C ATOM 1608 NH1 ARG A 106 12.262 -13.391 10.877 1.00 27.16 N ATOM 1609 NH2 ARG A 106 13.945 -12.418 12.093 1.00 27.19 N ATOM 0 H ARG A 106 12.075 -7.364 7.839 1.00 21.40 H new ATOM 0 HA ARG A 106 9.565 -8.030 6.743 1.00 22.20 H new ATOM 0 HB2 ARG A 106 9.842 -10.126 8.048 1.00 23.35 H new ATOM 0 HB3 ARG A 106 11.249 -9.717 7.087 1.00 23.35 H new ATOM 0 HG2 ARG A 106 12.556 -9.208 8.949 1.00 24.22 H new ATOM 0 HG3 ARG A 106 11.174 -8.810 9.952 1.00 24.22 H new ATOM 0 HD2 ARG A 106 10.589 -11.114 10.253 1.00 25.21 H new ATOM 0 HD3 ARG A 106 11.636 -11.634 8.948 1.00 25.21 H new ATOM 0 HE ARG A 106 13.178 -10.314 11.006 1.00 25.76 H new ATOM 0 HH11 ARG A 106 11.493 -13.315 10.211 1.00 27.16 H new ATOM 0 HH12 ARG A 106 12.506 -14.299 11.272 1.00 27.16 H new ATOM 0 HH21 ARG A 106 14.475 -11.590 12.365 1.00 27.19 H new ATOM 0 HH22 ARG A 106 14.184 -13.329 12.485 1.00 27.19 H new ATOM 1623 N PHE A 107 9.625 -7.161 9.914 1.00 22.61 N ATOM 1624 CA PHE A 107 8.797 -6.790 11.052 1.00 22.97 C ATOM 1625 C PHE A 107 7.694 -5.823 10.634 1.00 22.14 C ATOM 1626 O PHE A 107 6.562 -5.924 11.104 1.00 22.53 O ATOM 1627 CB PHE A 107 9.655 -6.167 12.154 1.00 23.24 C ATOM 1628 CG PHE A 107 9.210 -6.541 13.538 1.00 23.93 C ATOM 1629 CD1 PHE A 107 8.237 -5.803 14.190 1.00 24.48 C ATOM 1630 CD2 PHE A 107 9.764 -7.634 14.184 1.00 24.11 C ATOM 1631 CE1 PHE A 107 7.823 -6.148 15.463 1.00 25.19 C ATOM 1632 CE2 PHE A 107 9.354 -7.985 15.456 1.00 24.82 C ATOM 1633 CZ PHE A 107 8.382 -7.241 16.096 1.00 25.36 C ATOM 0 H PHE A 107 10.623 -6.997 10.047 1.00 22.61 H new ATOM 0 HA PHE A 107 8.329 -7.695 11.438 1.00 22.97 H new ATOM 0 HB2 PHE A 107 10.691 -6.477 12.017 1.00 23.24 H new ATOM 0 HB3 PHE A 107 9.631 -5.082 12.053 1.00 23.24 H new ATOM 0 HD1 PHE A 107 7.796 -4.948 13.699 1.00 24.48 H new ATOM 0 HD2 PHE A 107 10.525 -8.218 13.688 1.00 24.11 H new ATOM 0 HE1 PHE A 107 7.064 -5.564 15.962 1.00 25.19 H new ATOM 0 HE2 PHE A 107 9.793 -8.840 15.949 1.00 24.82 H new ATOM 0 HZ PHE A 107 8.060 -7.514 17.090 1.00 25.36 H new ATOM 1643 N VAL A 108 8.027 -4.890 9.746 1.00 21.06 N ATOM 1644 CA VAL A 108 7.054 -3.912 9.271 1.00 20.23 C ATOM 1645 C VAL A 108 6.154 -4.503 8.190 1.00 20.08 C ATOM 1646 O VAL A 108 4.933 -4.390 8.264 1.00 20.21 O ATOM 1647 CB VAL A 108 7.739 -2.648 8.715 1.00 19.12 C ATOM 1648 CG1 VAL A 108 6.701 -1.655 8.210 1.00 18.33 C ATOM 1649 CG2 VAL A 108 8.619 -2.008 9.777 1.00 19.13 C ATOM 0 H VAL A 108 8.959 -4.791 9.343 1.00 21.06 H new ATOM 0 HA VAL A 108 6.449 -3.636 10.134 1.00 20.23 H new ATOM 0 HB VAL A 108 8.370 -2.940 7.876 1.00 19.12 H new ATOM 0 HG11 VAL A 108 7.204 -0.769 7.821 1.00 18.33 H new ATOM 0 HG12 VAL A 108 6.113 -2.116 7.417 1.00 18.33 H new ATOM 0 HG13 VAL A 108 6.043 -1.368 9.030 1.00 18.33 H new ATOM 0 HG21 VAL A 108 9.095 -1.117 9.367 1.00 19.13 H new ATOM 0 HG22 VAL A 108 8.009 -1.731 10.636 1.00 19.13 H new ATOM 0 HG23 VAL A 108 9.385 -2.717 10.090 1.00 19.13 H new ATOM 1659 N MET A 109 6.766 -5.131 7.189 1.00 19.93 N ATOM 1660 CA MET A 109 6.018 -5.737 6.090 1.00 19.90 C ATOM 1661 C MET A 109 4.896 -6.631 6.616 1.00 20.93 C ATOM 1662 O MET A 109 3.821 -6.705 6.021 1.00 20.91 O ATOM 1663 CB MET A 109 6.956 -6.546 5.190 1.00 20.00 C ATOM 1664 CG MET A 109 8.027 -5.705 4.513 1.00 18.99 C ATOM 1665 SD MET A 109 7.624 -5.292 2.803 1.00 18.30 S ATOM 1666 CE MET A 109 6.214 -4.211 3.026 1.00 17.64 C ATOM 0 H MET A 109 7.778 -5.234 7.116 1.00 19.93 H new ATOM 0 HA MET A 109 5.569 -4.934 5.505 1.00 19.90 H new ATOM 0 HB2 MET A 109 7.438 -7.322 5.785 1.00 20.00 H new ATOM 0 HB3 MET A 109 6.366 -7.051 4.426 1.00 20.00 H new ATOM 0 HG2 MET A 109 8.170 -4.785 5.079 1.00 18.99 H new ATOM 0 HG3 MET A 109 8.974 -6.244 4.537 1.00 18.99 H new ATOM 0 HE1 MET A 109 6.042 -3.644 2.111 1.00 17.64 H new ATOM 0 HE2 MET A 109 5.331 -4.808 3.254 1.00 17.64 H new ATOM 0 HE3 MET A 109 6.409 -3.523 3.849 1.00 17.64 H new ATOM 1676 N ILE A 110 5.153 -7.304 7.732 1.00 21.91 N ATOM 1677 CA ILE A 110 4.160 -8.183 8.341 1.00 22.98 C ATOM 1678 C ILE A 110 3.091 -7.366 9.062 1.00 22.97 C ATOM 1679 O ILE A 110 1.930 -7.772 9.140 1.00 23.58 O ATOM 1680 CB ILE A 110 4.814 -9.168 9.334 1.00 24.01 C ATOM 1681 CG1 ILE A 110 5.861 -10.025 8.617 1.00 24.18 C ATOM 1682 CG2 ILE A 110 3.759 -10.049 9.987 1.00 25.13 C ATOM 1683 CD1 ILE A 110 6.756 -10.806 9.556 1.00 25.10 C ATOM 0 H ILE A 110 6.040 -7.258 8.234 1.00 21.91 H new ATOM 0 HA ILE A 110 3.696 -8.757 7.539 1.00 22.98 H new ATOM 0 HB ILE A 110 5.311 -8.594 10.116 1.00 24.01 H new ATOM 0 HG12 ILE A 110 5.353 -10.722 7.951 1.00 24.18 H new ATOM 0 HG13 ILE A 110 6.479 -9.380 7.992 1.00 24.18 H new ATOM 0 HG21 ILE A 110 4.239 -10.736 10.683 1.00 25.13 H new ATOM 0 HG22 ILE A 110 3.047 -9.425 10.526 1.00 25.13 H new ATOM 0 HG23 ILE A 110 3.234 -10.618 9.219 1.00 25.13 H new ATOM 0 HD11 ILE A 110 7.471 -11.389 8.976 1.00 25.10 H new ATOM 0 HD12 ILE A 110 7.293 -10.115 10.206 1.00 25.10 H new ATOM 0 HD13 ILE A 110 6.149 -11.477 10.163 1.00 25.10 H new ATOM 1695 N ASN A 111 3.492 -6.209 9.584 1.00 22.36 N ATOM 1696 CA ASN A 111 2.572 -5.325 10.290 1.00 22.40 C ATOM 1697 C ASN A 111 1.544 -4.734 9.330 1.00 21.78 C ATOM 1698 O ASN A 111 0.355 -4.664 9.642 1.00 22.21 O ATOM 1699 CB ASN A 111 3.339 -4.195 10.981 1.00 21.96 C ATOM 1700 CG ASN A 111 4.179 -4.687 12.143 1.00 22.60 C ATOM 1701 OD1 ASN A 111 3.851 -5.687 12.781 1.00 23.32 O ATOM 1702 ND2 ASN A 111 5.268 -3.981 12.427 1.00 22.44 N ATOM 0 H ASN A 111 4.450 -5.863 9.530 1.00 22.36 H new ATOM 0 HA ASN A 111 2.051 -5.916 11.043 1.00 22.40 H new ATOM 0 HB2 ASN A 111 3.984 -3.701 10.254 1.00 21.96 H new ATOM 0 HB3 ASN A 111 2.632 -3.447 11.340 1.00 21.96 H new ATOM 0 HD21 ASN A 111 5.870 -4.262 13.201 1.00 22.44 H new ATOM 0 HD22 ASN A 111 5.502 -3.158 11.871 1.00 22.44 H new ATOM 1709 N LEU A 112 2.013 -4.309 8.161 1.00 20.83 N ATOM 1710 CA LEU A 112 1.140 -3.720 7.153 1.00 20.19 C ATOM 1711 C LEU A 112 0.159 -4.755 6.614 1.00 20.95 C ATOM 1712 O LEU A 112 -1.034 -4.484 6.477 1.00 21.07 O ATOM 1713 CB LEU A 112 1.966 -3.141 6.002 1.00 19.00 C ATOM 1714 CG LEU A 112 3.291 -2.485 6.405 1.00 18.25 C ATOM 1715 CD1 LEU A 112 3.991 -1.907 5.186 1.00 17.58 C ATOM 1716 CD2 LEU A 112 3.069 -1.402 7.453 1.00 17.84 C ATOM 0 H LEU A 112 2.995 -4.362 7.889 1.00 20.83 H new ATOM 0 HA LEU A 112 0.575 -2.916 7.625 1.00 20.19 H new ATOM 0 HB2 LEU A 112 2.178 -3.940 5.292 1.00 19.00 H new ATOM 0 HB3 LEU A 112 1.359 -2.402 5.478 1.00 19.00 H new ATOM 0 HG LEU A 112 3.928 -3.254 6.842 1.00 18.25 H new ATOM 0 HD11 LEU A 112 4.930 -1.445 5.491 1.00 17.58 H new ATOM 0 HD12 LEU A 112 4.194 -2.704 4.471 1.00 17.58 H new ATOM 0 HD13 LEU A 112 3.352 -1.157 4.721 1.00 17.58 H new ATOM 0 HD21 LEU A 112 4.026 -0.953 7.721 1.00 17.84 H new ATOM 0 HD22 LEU A 112 2.409 -0.635 7.049 1.00 17.84 H new ATOM 0 HD23 LEU A 112 2.614 -1.842 8.340 1.00 17.84 H new ATOM 1728 N GLY A 113 0.673 -5.944 6.310 1.00 21.57 N ATOM 1729 CA GLY A 113 -0.165 -7.007 5.787 1.00 22.41 C ATOM 1730 C GLY A 113 0.502 -7.759 4.652 1.00 22.40 C ATOM 1731 O GLY A 113 -0.072 -8.696 4.097 1.00 23.05 O ATOM 0 H GLY A 113 1.657 -6.190 6.417 1.00 21.57 H new ATOM 0 HA2 GLY A 113 -0.407 -7.704 6.589 1.00 22.41 H new ATOM 0 HA3 GLY A 113 -1.107 -6.585 5.436 1.00 22.41 H new ATOM 1735 N GLU A 114 1.719 -7.346 4.309 1.00 21.76 N ATOM 1736 CA GLU A 114 2.468 -7.982 3.230 1.00 21.80 C ATOM 1737 C GLU A 114 3.296 -9.153 3.749 1.00 22.59 C ATOM 1738 O GLU A 114 4.334 -8.958 4.383 1.00 22.48 O ATOM 1739 CB GLU A 114 3.386 -6.962 2.556 1.00 20.80 C ATOM 1740 CG GLU A 114 2.655 -5.748 2.008 1.00 20.26 C ATOM 1741 CD GLU A 114 1.655 -6.107 0.926 1.00 20.12 C ATOM 1742 OE1 GLU A 114 0.492 -6.407 1.267 1.00 20.27 O ATOM 1743 OE2 GLU A 114 2.037 -6.088 -0.263 1.00 19.96 O ATOM 0 H GLU A 114 2.207 -6.574 4.763 1.00 21.76 H new ATOM 0 HA GLU A 114 1.751 -8.363 2.503 1.00 21.80 H new ATOM 0 HB2 GLU A 114 4.135 -6.630 3.275 1.00 20.80 H new ATOM 0 HB3 GLU A 114 3.921 -7.451 1.742 1.00 20.80 H new ATOM 0 HG2 GLU A 114 2.137 -5.242 2.823 1.00 20.26 H new ATOM 0 HG3 GLU A 114 3.382 -5.042 1.606 1.00 20.26 H new ATOM 1750 N LYS A 115 2.832 -10.370 3.476 1.00 23.45 N ATOM 1751 CA LYS A 115 3.539 -11.570 3.909 1.00 24.32 C ATOM 1752 C LYS A 115 4.785 -11.793 3.057 1.00 23.94 C ATOM 1753 O LYS A 115 4.688 -12.067 1.861 1.00 23.86 O ATOM 1754 CB LYS A 115 2.621 -12.793 3.825 1.00 25.48 C ATOM 1755 CG LYS A 115 1.564 -12.849 4.920 1.00 26.26 C ATOM 1756 CD LYS A 115 0.491 -11.790 4.725 1.00 26.75 C ATOM 1757 CE LYS A 115 -0.616 -11.924 5.757 1.00 27.55 C ATOM 1758 NZ LYS A 115 -1.676 -10.895 5.573 1.00 27.96 N ATOM 0 H LYS A 115 1.972 -10.550 2.958 1.00 23.45 H new ATOM 0 HA LYS A 115 3.844 -11.431 4.946 1.00 24.32 H new ATOM 0 HB2 LYS A 115 2.125 -12.796 2.854 1.00 25.48 H new ATOM 0 HB3 LYS A 115 3.230 -13.696 3.875 1.00 25.48 H new ATOM 0 HG2 LYS A 115 1.102 -13.836 4.929 1.00 26.26 H new ATOM 0 HG3 LYS A 115 2.039 -12.710 5.891 1.00 26.26 H new ATOM 0 HD2 LYS A 115 0.939 -10.799 4.797 1.00 26.75 H new ATOM 0 HD3 LYS A 115 0.069 -11.878 3.724 1.00 26.75 H new ATOM 0 HE2 LYS A 115 -1.059 -12.918 5.687 1.00 27.55 H new ATOM 0 HE3 LYS A 115 -0.192 -11.834 6.757 1.00 27.55 H new ATOM 0 HZ1 LYS A 115 -2.034 -10.595 6.502 1.00 27.96 H new ATOM 0 HZ2 LYS A 115 -1.280 -10.074 5.073 1.00 27.96 H new ATOM 0 HZ3 LYS A 115 -2.456 -11.296 5.015 1.00 27.96 H new ATOM 1772 N VAL A 116 5.953 -11.676 3.681 1.00 23.78 N ATOM 1773 CA VAL A 116 7.217 -11.856 2.977 1.00 23.53 C ATOM 1774 C VAL A 116 8.217 -12.654 3.805 1.00 24.38 C ATOM 1775 O VAL A 116 8.143 -12.683 5.034 1.00 24.75 O ATOM 1776 CB VAL A 116 7.857 -10.503 2.618 1.00 22.24 C ATOM 1777 CG1 VAL A 116 7.132 -9.851 1.452 1.00 21.40 C ATOM 1778 CG2 VAL A 116 7.868 -9.584 3.830 1.00 21.91 C ATOM 0 H VAL A 116 6.050 -11.457 4.673 1.00 23.78 H new ATOM 0 HA VAL A 116 6.981 -12.406 2.066 1.00 23.53 H new ATOM 0 HB VAL A 116 8.888 -10.682 2.312 1.00 22.24 H new ATOM 0 HG11 VAL A 116 7.604 -8.897 1.218 1.00 21.40 H new ATOM 0 HG12 VAL A 116 7.183 -10.504 0.581 1.00 21.40 H new ATOM 0 HG13 VAL A 116 6.089 -9.684 1.720 1.00 21.40 H new ATOM 0 HG21 VAL A 116 8.324 -8.631 3.560 1.00 21.91 H new ATOM 0 HG22 VAL A 116 6.845 -9.415 4.167 1.00 21.91 H new ATOM 0 HG23 VAL A 116 8.443 -10.047 4.632 1.00 21.91 H new ATOM 1788 N THR A 117 9.152 -13.299 3.115 1.00 24.76 N ATOM 1789 CA THR A 117 10.185 -14.089 3.769 1.00 25.62 C ATOM 1790 C THR A 117 11.481 -13.294 3.867 1.00 25.03 C ATOM 1791 O THR A 117 11.707 -12.367 3.089 1.00 24.12 O ATOM 1792 CB THR A 117 10.457 -15.401 3.010 1.00 26.54 C ATOM 1793 OG1 THR A 117 10.941 -15.113 1.693 1.00 25.98 O ATOM 1794 CG2 THR A 117 9.194 -16.243 2.918 1.00 27.24 C ATOM 0 H THR A 117 9.214 -13.289 2.097 1.00 24.76 H new ATOM 0 HA THR A 117 9.823 -14.331 4.768 1.00 25.62 H new ATOM 0 HB THR A 117 11.212 -15.964 3.559 1.00 26.54 H new ATOM 0 HG1 THR A 117 11.113 -15.952 1.217 1.00 25.98 H new ATOM 0 HG21 THR A 117 9.410 -17.165 2.378 1.00 27.24 H new ATOM 0 HG22 THR A 117 8.843 -16.484 3.922 1.00 27.24 H new ATOM 0 HG23 THR A 117 8.422 -15.684 2.388 1.00 27.24 H new ATOM 1802 N ASP A 118 12.330 -13.663 4.820 1.00 25.62 N ATOM 1803 CA ASP A 118 13.602 -12.977 5.022 1.00 25.26 C ATOM 1804 C ASP A 118 14.469 -13.024 3.766 1.00 25.12 C ATOM 1805 O ASP A 118 15.365 -12.199 3.592 1.00 24.60 O ATOM 1806 CB ASP A 118 14.360 -13.599 6.196 1.00 26.22 C ATOM 1807 CG ASP A 118 13.615 -13.458 7.507 1.00 26.44 C ATOM 1808 OD1 ASP A 118 13.809 -12.431 8.192 1.00 26.51 O ATOM 1809 OD2 ASP A 118 12.840 -14.373 7.852 1.00 26.63 O ATOM 0 H ASP A 118 12.160 -14.434 5.466 1.00 25.62 H new ATOM 0 HA ASP A 118 13.381 -11.933 5.245 1.00 25.26 H new ATOM 0 HB2 ASP A 118 14.535 -14.656 5.993 1.00 26.22 H new ATOM 0 HB3 ASP A 118 15.338 -13.126 6.285 1.00 26.22 H new ATOM 1814 N GLU A 119 14.195 -13.986 2.891 1.00 25.66 N ATOM 1815 CA GLU A 119 14.966 -14.140 1.662 1.00 25.70 C ATOM 1816 C GLU A 119 14.584 -13.095 0.616 1.00 24.54 C ATOM 1817 O GLU A 119 15.439 -12.358 0.123 1.00 24.02 O ATOM 1818 CB GLU A 119 14.769 -15.545 1.088 1.00 26.79 C ATOM 1819 CG GLU A 119 15.250 -16.651 2.012 1.00 27.99 C ATOM 1820 CD GLU A 119 15.119 -18.028 1.390 1.00 28.61 C ATOM 1821 OE1 GLU A 119 14.030 -18.627 1.500 1.00 29.14 O ATOM 1822 OE2 GLU A 119 16.108 -18.506 0.795 1.00 28.61 O ATOM 0 H GLU A 119 13.447 -14.669 3.009 1.00 25.66 H new ATOM 0 HA GLU A 119 16.016 -13.992 1.914 1.00 25.70 H new ATOM 0 HB2 GLU A 119 13.711 -15.696 0.874 1.00 26.79 H new ATOM 0 HB3 GLU A 119 15.300 -15.619 0.139 1.00 26.79 H new ATOM 0 HG2 GLU A 119 16.293 -16.472 2.274 1.00 27.99 H new ATOM 0 HG3 GLU A 119 14.678 -16.619 2.939 1.00 27.99 H new ATOM 1829 N GLU A 120 13.298 -13.028 0.281 1.00 24.19 N ATOM 1830 CA GLU A 120 12.819 -12.079 -0.717 1.00 23.13 C ATOM 1831 C GLU A 120 13.071 -10.635 -0.289 1.00 21.97 C ATOM 1832 O GLU A 120 13.441 -9.793 -1.111 1.00 21.17 O ATOM 1833 CB GLU A 120 11.334 -12.303 -1.001 1.00 23.10 C ATOM 1834 CG GLU A 120 10.427 -12.088 0.199 1.00 22.97 C ATOM 1835 CD GLU A 120 8.968 -12.326 -0.137 1.00 23.00 C ATOM 1836 OE1 GLU A 120 8.390 -11.505 -0.879 1.00 23.55 O ATOM 1837 OE2 GLU A 120 8.404 -13.335 0.337 1.00 22.54 O ATOM 0 H GLU A 120 12.571 -13.619 0.686 1.00 24.19 H new ATOM 0 HA GLU A 120 13.382 -12.253 -1.634 1.00 23.13 H new ATOM 0 HB2 GLU A 120 11.024 -11.631 -1.801 1.00 23.10 H new ATOM 0 HB3 GLU A 120 11.196 -13.320 -1.368 1.00 23.10 H new ATOM 0 HG2 GLU A 120 10.727 -12.759 1.004 1.00 22.97 H new ATOM 0 HG3 GLU A 120 10.552 -11.070 0.569 1.00 22.97 H new ATOM 1844 N ILE A 121 12.881 -10.349 0.995 1.00 21.93 N ATOM 1845 CA ILE A 121 13.089 -8.998 1.501 1.00 20.94 C ATOM 1846 C ILE A 121 14.571 -8.640 1.528 1.00 20.97 C ATOM 1847 O ILE A 121 14.940 -7.490 1.294 1.00 20.10 O ATOM 1848 CB ILE A 121 12.487 -8.806 2.906 1.00 21.05 C ATOM 1849 CG1 ILE A 121 13.200 -9.683 3.935 1.00 22.23 C ATOM 1850 CG2 ILE A 121 11.001 -9.118 2.888 1.00 20.98 C ATOM 1851 CD1 ILE A 121 13.015 -9.204 5.358 1.00 22.33 C ATOM 0 H ILE A 121 12.586 -11.027 1.698 1.00 21.93 H new ATOM 0 HA ILE A 121 12.572 -8.329 0.814 1.00 20.94 H new ATOM 0 HB ILE A 121 12.627 -7.764 3.195 1.00 21.05 H new ATOM 0 HG12 ILE A 121 12.829 -10.704 3.851 1.00 22.23 H new ATOM 0 HG13 ILE A 121 14.265 -9.711 3.704 1.00 22.23 H new ATOM 0 HG21 ILE A 121 10.588 -8.978 3.887 1.00 20.98 H new ATOM 0 HG22 ILE A 121 10.497 -8.449 2.190 1.00 20.98 H new ATOM 0 HG23 ILE A 121 10.850 -10.151 2.574 1.00 20.98 H new ATOM 0 HD11 ILE A 121 13.546 -9.870 6.038 1.00 22.33 H new ATOM 0 HD12 ILE A 121 13.412 -8.194 5.456 1.00 22.33 H new ATOM 0 HD13 ILE A 121 11.954 -9.203 5.606 1.00 22.33 H new ATOM 1863 N ASP A 122 15.419 -9.626 1.815 1.00 22.05 N ATOM 1864 CA ASP A 122 16.859 -9.397 1.859 1.00 22.30 C ATOM 1865 C ASP A 122 17.354 -8.884 0.512 1.00 21.86 C ATOM 1866 O ASP A 122 18.153 -7.950 0.445 1.00 21.46 O ATOM 1867 CB ASP A 122 17.599 -10.683 2.234 1.00 23.63 C ATOM 1868 CG ASP A 122 19.098 -10.482 2.320 1.00 24.02 C ATOM 1869 OD1 ASP A 122 19.775 -10.608 1.277 1.00 24.14 O ATOM 1870 OD2 ASP A 122 19.597 -10.200 3.430 1.00 24.29 O ATOM 0 H ASP A 122 15.135 -10.584 2.019 1.00 22.05 H new ATOM 0 HA ASP A 122 17.063 -8.645 2.621 1.00 22.30 H new ATOM 0 HB2 ASP A 122 17.228 -11.046 3.193 1.00 23.63 H new ATOM 0 HB3 ASP A 122 17.380 -11.454 1.495 1.00 23.63 H new ATOM 1875 N GLU A 123 16.869 -9.506 -0.561 1.00 22.03 N ATOM 1876 CA GLU A 123 17.250 -9.108 -1.910 1.00 21.74 C ATOM 1877 C GLU A 123 16.777 -7.687 -2.199 1.00 20.39 C ATOM 1878 O GLU A 123 17.508 -6.888 -2.787 1.00 20.02 O ATOM 1879 CB GLU A 123 16.662 -10.075 -2.938 1.00 22.27 C ATOM 1880 CG GLU A 123 17.121 -11.513 -2.751 1.00 23.66 C ATOM 1881 CD GLU A 123 16.583 -12.441 -3.822 1.00 24.40 C ATOM 1882 OE1 GLU A 123 15.464 -12.967 -3.647 1.00 24.74 O ATOM 1883 OE2 GLU A 123 17.283 -12.645 -4.838 1.00 24.71 O ATOM 0 H GLU A 123 16.213 -10.286 -0.520 1.00 22.03 H new ATOM 0 HA GLU A 123 18.337 -9.138 -1.983 1.00 21.74 H new ATOM 0 HB2 GLU A 123 15.574 -10.039 -2.878 1.00 22.27 H new ATOM 0 HB3 GLU A 123 16.938 -9.741 -3.938 1.00 22.27 H new ATOM 0 HG2 GLU A 123 18.210 -11.547 -2.760 1.00 23.66 H new ATOM 0 HG3 GLU A 123 16.799 -11.869 -1.772 1.00 23.66 H new ATOM 1890 N MET A 124 15.551 -7.380 -1.780 1.00 19.71 N ATOM 1891 CA MET A 124 14.982 -6.053 -1.987 1.00 18.41 C ATOM 1892 C MET A 124 15.876 -4.979 -1.378 1.00 17.96 C ATOM 1893 O MET A 124 15.976 -3.870 -1.904 1.00 17.13 O ATOM 1894 CB MET A 124 13.579 -5.974 -1.381 1.00 17.97 C ATOM 1895 CG MET A 124 12.897 -4.635 -1.598 1.00 16.63 C ATOM 1896 SD MET A 124 11.222 -4.586 -0.934 1.00 16.29 S ATOM 1897 CE MET A 124 11.549 -4.704 0.822 1.00 17.07 C ATOM 0 H MET A 124 14.934 -8.032 -1.296 1.00 19.71 H new ATOM 0 HA MET A 124 14.914 -5.877 -3.061 1.00 18.41 H new ATOM 0 HB2 MET A 124 12.961 -6.761 -1.813 1.00 17.97 H new ATOM 0 HB3 MET A 124 13.643 -6.170 -0.311 1.00 17.97 H new ATOM 0 HG2 MET A 124 13.491 -3.850 -1.130 1.00 16.63 H new ATOM 0 HG3 MET A 124 12.866 -4.417 -2.666 1.00 16.63 H new ATOM 0 HE1 MET A 124 10.700 -4.306 1.378 1.00 17.07 H new ATOM 0 HE2 MET A 124 11.703 -5.748 1.094 1.00 17.07 H new ATOM 0 HE3 MET A 124 12.443 -4.130 1.065 1.00 17.07 H new ATOM 1907 N ILE A 125 16.523 -5.314 -0.265 1.00 18.60 N ATOM 1908 CA ILE A 125 17.415 -4.379 0.409 1.00 18.41 C ATOM 1909 C ILE A 125 18.659 -4.134 -0.432 1.00 18.72 C ATOM 1910 O ILE A 125 19.080 -2.994 -0.616 1.00 18.18 O ATOM 1911 CB ILE A 125 17.837 -4.901 1.798 1.00 19.25 C ATOM 1912 CG1 ILE A 125 16.607 -5.077 2.688 1.00 19.04 C ATOM 1913 CG2 ILE A 125 18.838 -3.953 2.447 1.00 19.27 C ATOM 1914 CD1 ILE A 125 16.906 -5.717 4.026 1.00 19.95 C ATOM 0 H ILE A 125 16.446 -6.225 0.188 1.00 18.60 H new ATOM 0 HA ILE A 125 16.868 -3.445 0.540 1.00 18.41 H new ATOM 0 HB ILE A 125 18.320 -5.870 1.674 1.00 19.25 H new ATOM 0 HG12 ILE A 125 16.150 -4.102 2.857 1.00 19.04 H new ATOM 0 HG13 ILE A 125 15.873 -5.686 2.161 1.00 19.04 H new ATOM 0 HG21 ILE A 125 19.123 -4.339 3.426 1.00 19.27 H new ATOM 0 HG22 ILE A 125 19.724 -3.872 1.817 1.00 19.27 H new ATOM 0 HG23 ILE A 125 18.384 -2.969 2.563 1.00 19.27 H new ATOM 0 HD11 ILE A 125 15.984 -5.808 4.600 1.00 19.95 H new ATOM 0 HD12 ILE A 125 17.334 -6.707 3.868 1.00 19.95 H new ATOM 0 HD13 ILE A 125 17.616 -5.098 4.575 1.00 19.95 H new ATOM 1926 N ARG A 126 19.239 -5.214 -0.941 1.00 19.67 N ATOM 1927 CA ARG A 126 20.436 -5.129 -1.767 1.00 20.18 C ATOM 1928 C ARG A 126 20.184 -4.281 -3.012 1.00 19.36 C ATOM 1929 O ARG A 126 21.090 -3.615 -3.514 1.00 19.42 O ATOM 1930 CB ARG A 126 20.895 -6.534 -2.169 1.00 21.37 C ATOM 1931 CG ARG A 126 22.044 -6.549 -3.167 1.00 22.05 C ATOM 1932 CD ARG A 126 23.256 -5.796 -2.644 1.00 22.88 C ATOM 1933 NE ARG A 126 24.381 -5.855 -3.575 1.00 23.53 N ATOM 1934 CZ ARG A 126 25.561 -5.287 -3.347 1.00 24.32 C ATOM 1935 NH1 ARG A 126 25.776 -4.618 -2.222 1.00 24.55 N ATOM 1936 NH2 ARG A 126 26.529 -5.389 -4.247 1.00 24.95 N ATOM 0 H ARG A 126 18.897 -6.164 -0.795 1.00 19.67 H new ATOM 0 HA ARG A 126 21.221 -4.649 -1.183 1.00 20.18 H new ATOM 0 HB2 ARG A 126 21.198 -7.076 -1.273 1.00 21.37 H new ATOM 0 HB3 ARG A 126 20.049 -7.073 -2.596 1.00 21.37 H new ATOM 0 HG2 ARG A 126 22.323 -7.580 -3.385 1.00 22.05 H new ATOM 0 HG3 ARG A 126 21.716 -6.102 -4.106 1.00 22.05 H new ATOM 0 HD2 ARG A 126 22.987 -4.755 -2.466 1.00 22.88 H new ATOM 0 HD3 ARG A 126 23.557 -6.216 -1.684 1.00 22.88 H new ATOM 0 HE ARG A 126 24.253 -6.362 -4.451 1.00 23.53 H new ATOM 0 HH11 ARG A 126 25.034 -4.537 -1.527 1.00 24.55 H new ATOM 0 HH12 ARG A 126 26.683 -4.184 -2.052 1.00 24.55 H new ATOM 0 HH21 ARG A 126 26.368 -5.903 -5.113 1.00 24.95 H new ATOM 0 HH22 ARG A 126 27.435 -4.954 -4.073 1.00 24.95 H new ATOM 1950 N GLU A 127 18.950 -4.311 -3.501 1.00 18.69 N ATOM 1951 CA GLU A 127 18.578 -3.549 -4.689 1.00 17.91 C ATOM 1952 C GLU A 127 18.633 -2.047 -4.424 1.00 16.85 C ATOM 1953 O GLU A 127 19.085 -1.276 -5.270 1.00 16.48 O ATOM 1954 CB GLU A 127 17.177 -3.946 -5.152 1.00 17.50 C ATOM 1955 CG GLU A 127 17.091 -5.374 -5.666 1.00 18.61 C ATOM 1956 CD GLU A 127 15.702 -5.737 -6.154 1.00 18.51 C ATOM 1957 OE1 GLU A 127 15.399 -5.468 -7.335 1.00 18.54 O ATOM 1958 OE2 GLU A 127 14.918 -6.290 -5.354 1.00 18.51 O ATOM 0 H GLU A 127 18.189 -4.855 -3.094 1.00 18.69 H new ATOM 0 HA GLU A 127 19.297 -3.781 -5.475 1.00 17.91 H new ATOM 0 HB2 GLU A 127 16.481 -3.824 -4.322 1.00 17.50 H new ATOM 0 HB3 GLU A 127 16.856 -3.265 -5.940 1.00 17.50 H new ATOM 0 HG2 GLU A 127 17.804 -5.507 -6.480 1.00 18.61 H new ATOM 0 HG3 GLU A 127 17.383 -6.060 -4.871 1.00 18.61 H new ATOM 1965 N ALA A 128 18.173 -1.638 -3.246 1.00 16.47 N ATOM 1966 CA ALA A 128 18.170 -0.226 -2.877 1.00 15.57 C ATOM 1967 C ALA A 128 19.457 0.155 -2.155 1.00 16.23 C ATOM 1968 O ALA A 128 19.758 1.336 -1.987 1.00 15.78 O ATOM 1969 CB ALA A 128 16.964 0.087 -2.005 1.00 14.84 C ATOM 0 H ALA A 128 17.798 -2.262 -2.532 1.00 16.47 H new ATOM 0 HA ALA A 128 18.108 0.363 -3.792 1.00 15.57 H new ATOM 0 HB1 ALA A 128 16.973 1.143 -1.737 1.00 14.84 H new ATOM 0 HB2 ALA A 128 16.050 -0.140 -2.553 1.00 14.84 H new ATOM 0 HB3 ALA A 128 17.003 -0.518 -1.099 1.00 14.84 H new ATOM 1975 N ASP A 129 20.212 -0.852 -1.735 1.00 17.37 N ATOM 1976 CA ASP A 129 21.465 -0.628 -1.025 1.00 18.16 C ATOM 1977 C ASP A 129 22.652 -0.682 -1.979 1.00 18.88 C ATOM 1978 O ASP A 129 23.039 -1.753 -2.445 1.00 19.74 O ATOM 1979 CB ASP A 129 21.632 -1.664 0.087 1.00 19.04 C ATOM 1980 CG ASP A 129 23.039 -1.697 0.648 1.00 19.91 C ATOM 1981 OD1 ASP A 129 23.471 -0.681 1.231 1.00 20.40 O ATOM 1982 OD2 ASP A 129 23.705 -2.744 0.509 1.00 20.17 O ATOM 0 H ASP A 129 19.978 -1.835 -1.874 1.00 17.37 H new ATOM 0 HA ASP A 129 21.432 0.367 -0.582 1.00 18.16 H new ATOM 0 HB2 ASP A 129 20.930 -1.445 0.891 1.00 19.04 H new ATOM 0 HB3 ASP A 129 21.376 -2.650 -0.299 1.00 19.04 H new ATOM 1987 N PHE A 130 23.223 0.483 -2.266 1.00 18.61 N ATOM 1988 CA PHE A 130 24.367 0.574 -3.168 1.00 19.35 C ATOM 1989 C PHE A 130 25.683 0.669 -2.397 1.00 20.46 C ATOM 1990 O PHE A 130 26.711 0.170 -2.852 1.00 21.43 O ATOM 1991 CB PHE A 130 24.219 1.784 -4.092 1.00 18.69 C ATOM 1992 CG PHE A 130 23.007 1.721 -4.976 1.00 17.66 C ATOM 1993 CD1 PHE A 130 22.976 0.874 -6.073 1.00 17.07 C ATOM 1994 CD2 PHE A 130 21.899 2.510 -4.712 1.00 17.35 C ATOM 1995 CE1 PHE A 130 21.862 0.815 -6.889 1.00 16.17 C ATOM 1996 CE2 PHE A 130 20.782 2.455 -5.523 1.00 16.46 C ATOM 1997 CZ PHE A 130 20.763 1.607 -6.614 1.00 15.86 C ATOM 0 H PHE A 130 22.913 1.378 -1.887 1.00 18.61 H new ATOM 0 HA PHE A 130 24.389 -0.337 -3.765 1.00 19.35 H new ATOM 0 HB2 PHE A 130 24.170 2.689 -3.487 1.00 18.69 H new ATOM 0 HB3 PHE A 130 25.109 1.865 -4.716 1.00 18.69 H new ATOM 0 HD1 PHE A 130 23.832 0.253 -6.293 1.00 17.07 H new ATOM 0 HD2 PHE A 130 21.909 3.176 -3.862 1.00 17.35 H new ATOM 0 HE1 PHE A 130 21.850 0.151 -7.741 1.00 16.17 H new ATOM 0 HE2 PHE A 130 19.924 3.074 -5.305 1.00 16.46 H new ATOM 0 HZ PHE A 130 19.891 1.563 -7.250 1.00 15.86 H new ATOM 2007 N ASP A 131 25.645 1.308 -1.231 1.00 20.37 N ATOM 2008 CA ASP A 131 26.843 1.465 -0.411 1.00 21.43 C ATOM 2009 C ASP A 131 27.286 0.126 0.171 1.00 22.32 C ATOM 2010 O ASP A 131 28.413 -0.011 0.646 1.00 23.37 O ATOM 2011 CB ASP A 131 26.595 2.474 0.713 1.00 21.16 C ATOM 2012 CG ASP A 131 25.351 2.156 1.517 1.00 20.32 C ATOM 2013 OD1 ASP A 131 25.340 1.120 2.213 1.00 19.96 O ATOM 2014 OD2 ASP A 131 24.387 2.949 1.456 1.00 20.09 O ATOM 0 H ASP A 131 24.802 1.724 -0.834 1.00 20.37 H new ATOM 0 HA ASP A 131 27.642 1.841 -1.050 1.00 21.43 H new ATOM 0 HB2 ASP A 131 27.458 2.491 1.378 1.00 21.16 H new ATOM 0 HB3 ASP A 131 26.502 3.473 0.286 1.00 21.16 H new ATOM 2019 N GLY A 132 26.392 -0.857 0.128 1.00 21.94 N ATOM 2020 CA GLY A 132 26.710 -2.175 0.646 1.00 22.81 C ATOM 2021 C GLY A 132 27.101 -2.154 2.112 1.00 23.39 C ATOM 2022 O GLY A 132 28.287 -2.096 2.443 1.00 24.32 O ATOM 0 H GLY A 132 25.452 -0.764 -0.257 1.00 21.94 H new ATOM 0 HA2 GLY A 132 25.848 -2.829 0.514 1.00 22.81 H new ATOM 0 HA3 GLY A 132 27.526 -2.602 0.063 1.00 22.81 H new ATOM 2026 N ASP A 133 26.104 -2.196 2.990 1.00 22.90 N ATOM 2027 CA ASP A 133 26.351 -2.187 4.429 1.00 23.47 C ATOM 2028 C ASP A 133 25.290 -2.994 5.171 1.00 23.33 C ATOM 2029 O ASP A 133 25.420 -3.256 6.368 1.00 23.88 O ATOM 2030 CB ASP A 133 26.376 -0.751 4.956 1.00 23.07 C ATOM 2031 CG ASP A 133 25.001 -0.112 4.959 1.00 21.88 C ATOM 2032 OD1 ASP A 133 24.216 -0.389 4.028 1.00 21.33 O ATOM 2033 OD2 ASP A 133 24.710 0.666 5.891 1.00 21.56 O ATOM 0 H ASP A 133 25.118 -2.237 2.731 1.00 22.90 H new ATOM 0 HA ASP A 133 27.322 -2.649 4.606 1.00 23.47 H new ATOM 0 HB2 ASP A 133 26.778 -0.746 5.969 1.00 23.07 H new ATOM 0 HB3 ASP A 133 27.050 -0.153 4.342 1.00 23.07 H new ATOM 2038 N GLY A 134 24.241 -3.388 4.454 1.00 22.67 N ATOM 2039 CA GLY A 134 23.173 -4.161 5.061 1.00 22.60 C ATOM 2040 C GLY A 134 22.202 -3.295 5.838 1.00 21.81 C ATOM 2041 O GLY A 134 21.448 -3.793 6.676 1.00 21.94 O ATOM 0 H GLY A 134 24.112 -3.185 3.463 1.00 22.67 H new ATOM 0 HA2 GLY A 134 22.632 -4.701 4.284 1.00 22.60 H new ATOM 0 HA3 GLY A 134 23.603 -4.908 5.728 1.00 22.60 H new ATOM 2045 N MET A 135 22.220 -1.996 5.561 1.00 21.09 N ATOM 2046 CA MET A 135 21.337 -1.050 6.237 1.00 20.37 C ATOM 2047 C MET A 135 20.760 -0.052 5.238 1.00 19.18 C ATOM 2048 O MET A 135 21.356 0.201 4.189 1.00 19.03 O ATOM 2049 CB MET A 135 22.090 -0.309 7.345 1.00 20.92 C ATOM 2050 CG MET A 135 22.931 -1.220 8.225 1.00 22.12 C ATOM 2051 SD MET A 135 23.576 -0.379 9.683 1.00 22.91 S ATOM 2052 CE MET A 135 22.063 -0.085 10.597 1.00 22.22 C ATOM 0 H MET A 135 22.839 -1.572 4.870 1.00 21.09 H new ATOM 0 HA MET A 135 20.517 -1.610 6.687 1.00 20.37 H new ATOM 0 HB2 MET A 135 22.736 0.443 6.893 1.00 20.92 H new ATOM 0 HB3 MET A 135 21.371 0.222 7.969 1.00 20.92 H new ATOM 0 HG2 MET A 135 22.328 -2.072 8.539 1.00 22.12 H new ATOM 0 HG3 MET A 135 23.762 -1.616 7.641 1.00 22.12 H new ATOM 0 HE1 MET A 135 21.903 0.988 10.699 1.00 22.22 H new ATOM 0 HE2 MET A 135 21.223 -0.528 10.062 1.00 22.22 H new ATOM 0 HE3 MET A 135 22.142 -0.536 11.586 1.00 22.22 H new ATOM 2062 N ILE A 136 19.604 0.517 5.568 1.00 18.41 N ATOM 2063 CA ILE A 136 18.953 1.474 4.680 1.00 17.25 C ATOM 2064 C ILE A 136 18.888 2.869 5.285 1.00 16.93 C ATOM 2065 O ILE A 136 18.682 3.038 6.487 1.00 17.36 O ATOM 2066 CB ILE A 136 17.517 1.034 4.326 1.00 16.55 C ATOM 2067 CG1 ILE A 136 17.528 -0.332 3.629 1.00 16.94 C ATOM 2068 CG2 ILE A 136 16.835 2.084 3.449 1.00 15.33 C ATOM 2069 CD1 ILE A 136 18.276 -0.347 2.311 1.00 16.79 C ATOM 0 H ILE A 136 19.102 0.334 6.437 1.00 18.41 H new ATOM 0 HA ILE A 136 19.565 1.503 3.778 1.00 17.25 H new ATOM 0 HB ILE A 136 16.948 0.940 5.251 1.00 16.55 H new ATOM 0 HG12 ILE A 136 17.977 -1.066 4.298 1.00 16.94 H new ATOM 0 HG13 ILE A 136 16.499 -0.647 3.455 1.00 16.94 H new ATOM 0 HG21 ILE A 136 15.823 1.757 3.209 1.00 15.33 H new ATOM 0 HG22 ILE A 136 16.792 3.033 3.984 1.00 15.33 H new ATOM 0 HG23 ILE A 136 17.403 2.213 2.527 1.00 15.33 H new ATOM 0 HD11 ILE A 136 18.237 -1.348 1.882 1.00 16.79 H new ATOM 0 HD12 ILE A 136 17.814 0.361 1.623 1.00 16.79 H new ATOM 0 HD13 ILE A 136 19.315 -0.064 2.479 1.00 16.79 H new ATOM 2081 N ASN A 137 19.062 3.863 4.423 1.00 16.28 N ATOM 2082 CA ASN A 137 18.993 5.262 4.814 1.00 16.03 C ATOM 2083 C ASN A 137 17.808 5.918 4.114 1.00 14.85 C ATOM 2084 O ASN A 137 17.336 5.406 3.099 1.00 14.21 O ATOM 2085 CB ASN A 137 20.294 5.993 4.475 1.00 16.50 C ATOM 2086 CG ASN A 137 20.851 5.600 3.122 1.00 16.54 C ATOM 2087 OD1 ASN A 137 20.500 6.185 2.099 1.00 16.44 O ATOM 2088 ND2 ASN A 137 21.730 4.604 3.111 1.00 16.82 N ATOM 0 H ASN A 137 19.255 3.720 3.432 1.00 16.28 H new ATOM 0 HA ASN A 137 18.856 5.323 5.894 1.00 16.03 H new ATOM 0 HB2 ASN A 137 20.117 7.068 4.492 1.00 16.50 H new ATOM 0 HB3 ASN A 137 21.036 5.780 5.244 1.00 16.50 H new ATOM 0 HD21 ASN A 137 22.142 4.297 2.230 1.00 16.82 H new ATOM 0 HD22 ASN A 137 21.993 4.146 3.984 1.00 16.82 H new ATOM 2095 N TYR A 138 17.310 7.022 4.664 1.00 14.65 N ATOM 2096 CA TYR A 138 16.162 7.725 4.085 1.00 13.62 C ATOM 2097 C TYR A 138 16.207 7.756 2.552 1.00 12.81 C ATOM 2098 O TYR A 138 15.167 7.836 1.901 1.00 11.86 O ATOM 2099 CB TYR A 138 16.088 9.154 4.637 1.00 13.81 C ATOM 2100 CG TYR A 138 15.198 10.082 3.836 1.00 12.91 C ATOM 2101 CD1 TYR A 138 13.819 9.901 3.797 1.00 12.92 C ATOM 2102 CD2 TYR A 138 15.739 11.139 3.114 1.00 12.17 C ATOM 2103 CE1 TYR A 138 13.009 10.747 3.063 1.00 12.20 C ATOM 2104 CE2 TYR A 138 14.935 11.989 2.379 1.00 11.46 C ATOM 2105 CZ TYR A 138 13.571 11.788 2.356 1.00 11.46 C ATOM 2106 OH TYR A 138 12.767 12.633 1.626 1.00 10.87 O ATOM 0 H TYR A 138 17.682 7.452 5.511 1.00 14.65 H new ATOM 0 HA TYR A 138 15.267 7.172 4.371 1.00 13.62 H new ATOM 0 HB2 TYR A 138 15.725 9.117 5.664 1.00 13.81 H new ATOM 0 HB3 TYR A 138 17.094 9.572 4.670 1.00 13.81 H new ATOM 0 HD1 TYR A 138 13.374 9.086 4.349 1.00 12.92 H new ATOM 0 HD2 TYR A 138 16.807 11.299 3.128 1.00 12.17 H new ATOM 0 HE1 TYR A 138 11.940 10.593 3.044 1.00 12.20 H new ATOM 0 HE2 TYR A 138 15.373 12.807 1.825 1.00 11.46 H new ATOM 0 HH TYR A 138 13.320 13.314 1.188 1.00 10.87 H new ATOM 2116 N GLU A 139 17.400 7.660 1.975 1.00 13.28 N ATOM 2117 CA GLU A 139 17.542 7.699 0.520 1.00 12.75 C ATOM 2118 C GLU A 139 17.220 6.346 -0.111 1.00 12.57 C ATOM 2119 O GLU A 139 16.356 6.249 -0.986 1.00 11.70 O ATOM 2120 CB GLU A 139 18.957 8.133 0.134 1.00 13.59 C ATOM 2121 CG GLU A 139 19.310 9.535 0.601 1.00 13.94 C ATOM 2122 CD GLU A 139 20.721 9.939 0.217 1.00 14.48 C ATOM 2123 OE1 GLU A 139 20.921 10.377 -0.936 1.00 14.82 O ATOM 2124 OE2 GLU A 139 21.626 9.818 1.069 1.00 14.68 O ATOM 0 H GLU A 139 18.277 7.555 2.485 1.00 13.28 H new ATOM 0 HA GLU A 139 16.827 8.428 0.138 1.00 12.75 H new ATOM 0 HB2 GLU A 139 19.673 7.427 0.556 1.00 13.59 H new ATOM 0 HB3 GLU A 139 19.061 8.083 -0.950 1.00 13.59 H new ATOM 0 HG2 GLU A 139 18.603 10.246 0.173 1.00 13.94 H new ATOM 0 HG3 GLU A 139 19.202 9.591 1.684 1.00 13.94 H new ATOM 2131 N GLU A 140 17.913 5.303 0.336 1.00 13.49 N ATOM 2132 CA GLU A 140 17.697 3.960 -0.193 1.00 13.65 C ATOM 2133 C GLU A 140 16.261 3.509 0.062 1.00 13.01 C ATOM 2134 O GLU A 140 15.684 2.756 -0.725 1.00 12.80 O ATOM 2135 CB GLU A 140 18.684 2.975 0.439 1.00 14.90 C ATOM 2136 CG GLU A 140 20.139 3.388 0.279 1.00 15.69 C ATOM 2137 CD GLU A 140 21.090 2.498 1.056 1.00 16.90 C ATOM 2138 OE1 GLU A 140 20.814 2.229 2.243 1.00 17.46 O ATOM 2139 OE2 GLU A 140 22.112 2.074 0.479 1.00 17.35 O ATOM 0 H GLU A 140 18.627 5.361 1.062 1.00 13.49 H new ATOM 0 HA GLU A 140 17.866 3.981 -1.270 1.00 13.65 H new ATOM 0 HB2 GLU A 140 18.457 2.876 1.501 1.00 14.90 H new ATOM 0 HB3 GLU A 140 18.542 1.992 -0.010 1.00 14.90 H new ATOM 0 HG2 GLU A 140 20.405 3.362 -0.778 1.00 15.69 H new ATOM 0 HG3 GLU A 140 20.258 4.419 0.613 1.00 15.69 H new ATOM 2146 N PHE A 141 15.691 3.986 1.164 1.00 12.87 N ATOM 2147 CA PHE A 141 14.321 3.645 1.532 1.00 12.46 C ATOM 2148 C PHE A 141 13.332 4.254 0.543 1.00 11.27 C ATOM 2149 O PHE A 141 12.520 3.548 -0.052 1.00 11.00 O ATOM 2150 CB PHE A 141 14.022 4.140 2.952 1.00 12.80 C ATOM 2151 CG PHE A 141 12.599 3.923 3.378 1.00 12.57 C ATOM 2152 CD1 PHE A 141 12.174 2.677 3.807 1.00 12.17 C ATOM 2153 CD2 PHE A 141 11.687 4.962 3.340 1.00 12.93 C ATOM 2154 CE1 PHE A 141 10.864 2.472 4.191 1.00 12.17 C ATOM 2155 CE2 PHE A 141 10.376 4.764 3.720 1.00 12.93 C ATOM 2156 CZ PHE A 141 9.962 3.516 4.147 1.00 12.56 C ATOM 0 H PHE A 141 16.158 4.612 1.820 1.00 12.87 H new ATOM 0 HA PHE A 141 14.212 2.561 1.503 1.00 12.46 H new ATOM 0 HB2 PHE A 141 14.684 3.630 3.652 1.00 12.80 H new ATOM 0 HB3 PHE A 141 14.252 5.204 3.013 1.00 12.80 H new ATOM 0 HD1 PHE A 141 12.875 1.856 3.842 1.00 12.17 H new ATOM 0 HD2 PHE A 141 12.005 5.940 3.009 1.00 12.93 H new ATOM 0 HE1 PHE A 141 10.545 1.496 4.525 1.00 12.17 H new ATOM 0 HE2 PHE A 141 9.673 5.583 3.684 1.00 12.93 H new ATOM 0 HZ PHE A 141 8.936 3.358 4.445 1.00 12.56 H new ATOM 2166 N VAL A 142 13.415 5.572 0.377 1.00 10.70 N ATOM 2167 CA VAL A 142 12.545 6.301 -0.542 1.00 9.58 C ATOM 2168 C VAL A 142 12.461 5.624 -1.906 1.00 9.23 C ATOM 2169 O VAL A 142 11.379 5.505 -2.485 1.00 8.50 O ATOM 2170 CB VAL A 142 13.046 7.749 -0.742 1.00 9.36 C ATOM 2171 CG1 VAL A 142 12.382 8.398 -1.948 1.00 8.32 C ATOM 2172 CG2 VAL A 142 12.801 8.576 0.508 1.00 9.69 C ATOM 0 H VAL A 142 14.083 6.162 0.873 1.00 10.70 H new ATOM 0 HA VAL A 142 11.553 6.308 -0.090 1.00 9.58 H new ATOM 0 HB VAL A 142 14.119 7.710 -0.928 1.00 9.36 H new ATOM 0 HG11 VAL A 142 12.754 9.416 -2.064 1.00 8.32 H new ATOM 0 HG12 VAL A 142 12.614 7.823 -2.844 1.00 8.32 H new ATOM 0 HG13 VAL A 142 11.302 8.421 -1.800 1.00 8.32 H new ATOM 0 HG21 VAL A 142 13.160 9.593 0.348 1.00 9.69 H new ATOM 0 HG22 VAL A 142 11.733 8.599 0.726 1.00 9.69 H new ATOM 0 HG23 VAL A 142 13.333 8.131 1.349 1.00 9.69 H new ATOM 2182 N TRP A 143 13.601 5.181 -2.417 1.00 9.94 N ATOM 2183 CA TRP A 143 13.647 4.548 -3.728 1.00 9.97 C ATOM 2184 C TRP A 143 12.883 3.223 -3.771 1.00 10.29 C ATOM 2185 O TRP A 143 11.994 3.047 -4.606 1.00 9.82 O ATOM 2186 CB TRP A 143 15.094 4.320 -4.170 1.00 10.95 C ATOM 2187 CG TRP A 143 15.192 3.790 -5.563 1.00 11.20 C ATOM 2188 CD1 TRP A 143 15.339 4.503 -6.717 1.00 10.93 C ATOM 2189 CD2 TRP A 143 15.125 2.421 -5.941 1.00 11.97 C ATOM 2190 NE1 TRP A 143 15.363 3.649 -7.796 1.00 11.51 N ATOM 2191 CE2 TRP A 143 15.235 2.361 -7.340 1.00 12.15 C ATOM 2192 CE3 TRP A 143 14.984 1.243 -5.220 1.00 12.67 C ATOM 2193 CZ2 TRP A 143 15.201 1.154 -8.034 1.00 13.01 C ATOM 2194 CZ3 TRP A 143 14.950 0.045 -5.901 1.00 13.49 C ATOM 2195 CH2 TRP A 143 15.058 0.006 -7.298 1.00 13.66 C ATOM 0 H TRP A 143 14.503 5.248 -1.946 1.00 9.94 H new ATOM 0 HA TRP A 143 13.156 5.235 -4.418 1.00 9.97 H new ATOM 0 HB2 TRP A 143 15.643 5.259 -4.103 1.00 10.95 H new ATOM 0 HB3 TRP A 143 15.574 3.621 -3.485 1.00 10.95 H new ATOM 0 HD1 TRP A 143 15.424 5.578 -6.775 1.00 10.93 H new ATOM 0 HE1 TRP A 143 15.460 3.927 -8.773 1.00 11.51 H new ATOM 0 HE3 TRP A 143 14.902 1.265 -4.143 1.00 12.67 H new ATOM 0 HZ2 TRP A 143 15.284 1.123 -9.110 1.00 13.01 H new ATOM 0 HZ3 TRP A 143 14.839 -0.877 -5.350 1.00 13.49 H new ATOM 0 HH2 TRP A 143 15.028 -0.947 -7.805 1.00 13.66 H new ATOM 2206 N MET A 144 13.222 2.293 -2.880 1.00 11.22 N ATOM 2207 CA MET A 144 12.573 0.981 -2.878 1.00 11.83 C ATOM 2208 C MET A 144 11.072 1.071 -2.618 1.00 11.29 C ATOM 2209 O MET A 144 10.305 0.260 -3.137 1.00 11.65 O ATOM 2210 CB MET A 144 13.236 0.036 -1.871 1.00 13.01 C ATOM 2211 CG MET A 144 13.166 0.504 -0.431 1.00 13.05 C ATOM 2212 SD MET A 144 13.595 -0.808 0.732 1.00 14.50 S ATOM 2213 CE MET A 144 13.949 0.135 2.210 1.00 14.50 C ATOM 0 H MET A 144 13.932 2.419 -2.159 1.00 11.22 H new ATOM 0 HA MET A 144 12.703 0.571 -3.879 1.00 11.83 H new ATOM 0 HB2 MET A 144 12.763 -0.943 -1.945 1.00 13.01 H new ATOM 0 HB3 MET A 144 14.282 -0.093 -2.147 1.00 13.01 H new ATOM 0 HG2 MET A 144 13.843 1.347 -0.291 1.00 13.05 H new ATOM 0 HG3 MET A 144 12.160 0.864 -0.216 1.00 13.05 H new ATOM 0 HE1 MET A 144 13.828 -0.502 3.086 1.00 14.50 H new ATOM 0 HE2 MET A 144 14.974 0.505 2.169 1.00 14.50 H new ATOM 0 HE3 MET A 144 13.262 0.978 2.277 1.00 14.50 H new ATOM 2223 N ILE A 145 10.647 2.047 -1.824 1.00 10.61 N ATOM 2224 CA ILE A 145 9.226 2.204 -1.528 1.00 10.28 C ATOM 2225 C ILE A 145 8.499 2.925 -2.656 1.00 9.33 C ATOM 2226 O ILE A 145 7.279 2.823 -2.782 1.00 9.45 O ATOM 2227 CB ILE A 145 8.990 2.962 -0.212 1.00 10.17 C ATOM 2228 CG1 ILE A 145 9.494 4.402 -0.318 1.00 9.32 C ATOM 2229 CG2 ILE A 145 9.672 2.239 0.936 1.00 11.25 C ATOM 2230 CD1 ILE A 145 8.933 5.312 0.750 1.00 9.30 C ATOM 0 H ILE A 145 11.256 2.734 -1.378 1.00 10.61 H new ATOM 0 HA ILE A 145 8.824 1.196 -1.426 1.00 10.28 H new ATOM 0 HB ILE A 145 7.918 2.994 -0.017 1.00 10.17 H new ATOM 0 HG12 ILE A 145 10.582 4.404 -0.253 1.00 9.32 H new ATOM 0 HG13 ILE A 145 9.233 4.800 -1.299 1.00 9.32 H new ATOM 0 HG21 ILE A 145 9.499 2.784 1.864 1.00 11.25 H new ATOM 0 HG22 ILE A 145 9.264 1.232 1.025 1.00 11.25 H new ATOM 0 HG23 ILE A 145 10.743 2.181 0.744 1.00 11.25 H new ATOM 0 HD11 ILE A 145 9.331 6.318 0.617 1.00 9.30 H new ATOM 0 HD12 ILE A 145 7.846 5.338 0.671 1.00 9.30 H new ATOM 0 HD13 ILE A 145 9.217 4.937 1.733 1.00 9.30 H new ATOM 2242 N SER A 146 9.252 3.654 -3.471 1.00 8.54 N ATOM 2243 CA SER A 146 8.673 4.391 -4.585 1.00 7.66 C ATOM 2244 C SER A 146 8.141 3.426 -5.632 1.00 8.22 C ATOM 2245 O SER A 146 7.147 3.703 -6.307 1.00 7.89 O ATOM 2246 CB SER A 146 9.718 5.317 -5.208 1.00 6.98 C ATOM 2247 OG SER A 146 9.205 5.963 -6.360 1.00 6.80 O ATOM 0 H SER A 146 10.263 3.750 -3.381 1.00 8.54 H new ATOM 0 HA SER A 146 7.847 4.996 -4.211 1.00 7.66 H new ATOM 0 HB2 SER A 146 10.029 6.063 -4.477 1.00 6.98 H new ATOM 0 HB3 SER A 146 10.605 4.742 -5.474 1.00 6.98 H new ATOM 0 HG SER A 146 9.358 5.399 -7.147 1.00 6.80 H new ATOM 2253 N GLN A 147 8.813 2.290 -5.758 1.00 9.26 N ATOM 2254 CA GLN A 147 8.427 1.269 -6.715 1.00 10.11 C ATOM 2255 C GLN A 147 7.347 0.359 -6.141 1.00 11.05 C ATOM 2256 O GLN A 147 6.592 -0.268 -6.885 1.00 11.87 O ATOM 2257 CB GLN A 147 9.658 0.458 -7.097 1.00 10.77 C ATOM 2258 CG GLN A 147 10.891 1.320 -7.308 1.00 10.15 C ATOM 2259 CD GLN A 147 10.683 2.388 -8.368 1.00 9.47 C ATOM 2260 OE1 GLN A 147 10.149 3.541 -7.965 1.00 10.00 O flip ATOM 2261 NE2 GLN A 147 10.990 2.178 -9.541 1.00 8.44 N flip ATOM 0 H GLN A 147 9.635 2.054 -5.203 1.00 9.26 H new ATOM 0 HA GLN A 147 8.014 1.750 -7.601 1.00 10.11 H new ATOM 0 HB2 GLN A 147 9.862 -0.274 -6.315 1.00 10.77 H new ATOM 0 HB3 GLN A 147 9.450 -0.100 -8.010 1.00 10.77 H new ATOM 0 HG2 GLN A 147 11.162 1.796 -6.366 1.00 10.15 H new ATOM 0 HG3 GLN A 147 11.729 0.685 -7.597 1.00 10.15 H new ATOM 0 HE21 GLN A 147 11.397 1.282 -9.809 1.00 8.44 H new ATOM 0 HE22 GLN A 147 10.838 2.900 -10.245 1.00 8.44 H new ATOM 2270 N LYS A 148 7.282 0.290 -4.813 1.00 11.08 N ATOM 2271 CA LYS A 148 6.287 -0.536 -4.133 1.00 12.08 C ATOM 2272 C LYS A 148 4.885 -0.240 -4.652 1.00 12.24 C ATOM 2273 O LYS A 148 4.295 0.772 -4.219 1.00 12.44 O ATOM 2274 CB LYS A 148 6.337 -0.305 -2.620 1.00 12.12 C ATOM 2275 CG LYS A 148 7.508 -0.989 -1.932 1.00 12.94 C ATOM 2276 CD LYS A 148 7.449 -0.814 -0.422 1.00 13.10 C ATOM 2277 CE LYS A 148 8.522 -1.635 0.274 1.00 13.06 C ATOM 2278 NZ LYS A 148 8.380 -3.089 -0.012 1.00 13.68 N ATOM 2279 OXT LYS A 148 4.385 -1.023 -5.488 1.00 12.34 O ATOM 0 H LYS A 148 7.907 0.797 -4.186 1.00 11.08 H new ATOM 0 HA LYS A 148 6.523 -1.579 -4.342 1.00 12.08 H new ATOM 0 HB2 LYS A 148 6.390 0.767 -2.427 1.00 12.12 H new ATOM 0 HB3 LYS A 148 5.408 -0.663 -2.177 1.00 12.12 H new ATOM 0 HG2 LYS A 148 7.505 -2.051 -2.176 1.00 12.94 H new ATOM 0 HG3 LYS A 148 8.444 -0.578 -2.310 1.00 12.94 H new ATOM 0 HD2 LYS A 148 7.575 0.239 -0.171 1.00 13.10 H new ATOM 0 HD3 LYS A 148 6.466 -1.113 -0.058 1.00 13.10 H new ATOM 0 HE2 LYS A 148 9.506 -1.296 -0.050 1.00 13.06 H new ATOM 0 HE3 LYS A 148 8.465 -1.469 1.350 1.00 13.06 H new ATOM 0 HZ1 LYS A 148 8.387 -3.621 0.882 1.00 13.68 H new ATOM 0 HZ2 LYS A 148 7.482 -3.259 -0.509 1.00 13.68 H new ATOM 0 HZ3 LYS A 148 9.171 -3.404 -0.609 1.00 13.68 H new TER 2293 LYS A 148 HETATM 2294 CA CA A 149 16.532 0.967 12.991 1.00 20.82 CA HETATM 2295 CA CA A 150 22.906 1.020 2.651 1.00 19.22 CA HETATM 2296 CA CA A 151 -21.579 -2.304 7.593 1.00 0.33 CA