USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 902 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 LYS NZ :NH3+ -155:sc= 2.09 (180deg=-0.33) USER MOD Set 1.2: B 54 THR OG1 : rot -44:sc= 0.851 USER MOD Set 2.1: B 19 LYS NZ :NH3+ -164:sc= 0.679 (180deg=-0.106) USER MOD Set 2.2: B 25 THR OG1 : rot 120:sc= 0.559 USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= 0.0482 USER MOD Set 3.2: B 46 LYS NZ :NH3+ -149:sc= 1.32 (180deg=-0.299) USER MOD Single : A 1 MET CE :methyl 168:sc= -1.94 (180deg=-2.44) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.0923 (180deg=0) USER MOD Single : A 2 TYR OH : rot -140:sc= -2.08 USER MOD Single : A 3 LYS NZ :NH3+ 177:sc= -0.449 (180deg=-0.484) USER MOD Single : A 7 TYR OH : rot 180:sc= 0.147 USER MOD Single : A 8 GLN : amide:sc= -0.63 X(o=-0.63,f=-0.28) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -130:sc= 0.944 (180deg=0.00232) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.74! C(o=-1.7!,f=-1.6!) USER MOD Single : A 25 THR OG1 : rot 70:sc= 1.12 USER MOD Single : A 26 MET CE :methyl -160:sc= -5.9! (180deg=-7.84!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -159:sc= -0.102 USER MOD Single : A 32 TYR OH : rot 53:sc= 0.61 USER MOD Single : A 33 LYS NZ :NH3+ -173:sc=-0.00317 (180deg=-0.0752) USER MOD Single : A 35 LYS NZ :NH3+ 149:sc= 0.624 (180deg=-0.158) USER MOD Single : A 37 SER OG : rot -120:sc= -0.446 USER MOD Single : A 40 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.016) USER MOD Single : A 44 SER OG : rot 109:sc= -0.399 USER MOD Single : A 48 ASN : amide:sc= -0.532 X(o=-0.53,f=-0.12) USER MOD Single : A 49 SER OG : rot 16:sc= -0.115 USER MOD Single : A 58 THR OG1 : rot -36:sc= 0.609 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0629 USER MOD Single : B 1 MET CE :methyl -164:sc= -0.0925 (180deg=-0.441) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 TYR OH : rot -120:sc= -1.59! USER MOD Single : B 3 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0083) USER MOD Single : B 7 TYR OH : rot 180:sc= -0.14 USER MOD Single : B 8 GLN : amide:sc= -0.364 X(o=-0.36,f=0) USER MOD Single : B 10 LYS NZ :NH3+ -158:sc= -1.48 (180deg=-2.88!) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 22 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : B 26 MET CE :methyl -158:sc= -5.78! (180deg=-7.96!) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 29 SER OG : rot -152:sc= -0.941 USER MOD Single : B 32 TYR OH : rot 50:sc= 0.262 USER MOD Single : B 33 LYS NZ :NH3+ -173:sc=-0.00664 (180deg=-0.0938) USER MOD Single : B 35 LYS NZ :NH3+ -176:sc= -3.55! (180deg=-3.7!) USER MOD Single : B 37 SER OG : rot -120:sc= -0.473 USER MOD Single : B 40 HIS : no HD1:sc= -0.0641 X(o=-0.064,f=-0.062) USER MOD Single : B 44 SER OG : rot -120:sc= -0.474 USER MOD Single : B 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 SER OG : rot 81:sc= -0.306 USER MOD Single : B 58 THR OG1 : rot -20:sc= 0.154 USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.233 9.028 10.665 1.00 0.00 N ATOM 2 CA MET A 1 -11.448 8.970 9.409 1.00 0.00 C ATOM 3 C MET A 1 -10.716 7.620 9.318 1.00 0.00 C ATOM 4 O MET A 1 -10.456 6.978 10.340 1.00 0.00 O ATOM 5 CB MET A 1 -10.433 10.159 9.346 1.00 0.00 C ATOM 6 CG MET A 1 -9.589 10.224 8.058 1.00 0.00 C ATOM 7 SD MET A 1 -8.391 11.576 8.033 1.00 0.00 S ATOM 8 CE MET A 1 -7.475 11.287 9.544 1.00 0.00 C ATOM 0 H1 MET A 1 -13.248 9.003 10.441 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.990 8.213 11.264 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.012 9.909 11.172 1.00 0.00 H new ATOM 0 HA MET A 1 -12.124 9.059 8.559 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.984 11.094 9.450 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.760 10.089 10.201 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.059 9.280 7.935 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.257 10.328 7.203 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.579 11.908 9.551 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.098 11.541 10.401 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.189 10.237 9.601 1.00 0.00 H new ATOM 18 N TYR A 2 -10.408 7.192 8.076 1.00 0.00 N ATOM 19 CA TYR A 2 -9.595 5.994 7.802 1.00 0.00 C ATOM 20 C TYR A 2 -8.139 6.133 8.315 1.00 0.00 C ATOM 21 O TYR A 2 -7.697 7.222 8.714 1.00 0.00 O ATOM 22 CB TYR A 2 -9.629 5.659 6.288 1.00 0.00 C ATOM 23 CG TYR A 2 -9.415 6.835 5.304 1.00 0.00 C ATOM 24 CD1 TYR A 2 -8.341 7.721 5.423 1.00 0.00 C ATOM 25 CD2 TYR A 2 -10.285 7.036 4.229 1.00 0.00 C ATOM 26 CE1 TYR A 2 -8.153 8.745 4.519 1.00 0.00 C ATOM 27 CE2 TYR A 2 -10.100 8.054 3.330 1.00 0.00 C ATOM 28 CZ TYR A 2 -9.037 8.902 3.476 1.00 0.00 C ATOM 29 OH TYR A 2 -8.859 9.910 2.572 1.00 0.00 O ATOM 0 H TYR A 2 -10.719 7.672 7.232 1.00 0.00 H new ATOM 0 HA TYR A 2 -10.036 5.165 8.356 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -8.864 4.908 6.090 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -10.592 5.200 6.064 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.644 7.601 6.239 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.126 6.371 4.103 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.317 9.420 4.629 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -10.791 8.186 2.510 1.00 0.00 H new ATOM 0 HH TYR A 2 -9.728 10.301 2.342 1.00 0.00 H new ATOM 39 N LYS A 3 -7.396 5.019 8.229 1.00 0.00 N ATOM 40 CA LYS A 3 -6.051 4.896 8.810 1.00 0.00 C ATOM 41 C LYS A 3 -5.275 3.714 8.190 1.00 0.00 C ATOM 42 O LYS A 3 -5.800 2.981 7.338 1.00 0.00 O ATOM 43 CB LYS A 3 -6.142 4.795 10.382 1.00 0.00 C ATOM 44 CG LYS A 3 -7.233 3.859 10.958 1.00 0.00 C ATOM 45 CD LYS A 3 -6.936 2.355 10.767 1.00 0.00 C ATOM 46 CE LYS A 3 -8.012 1.468 11.395 1.00 0.00 C ATOM 47 NZ LYS A 3 -8.158 1.714 12.848 1.00 0.00 N ATOM 0 H LYS A 3 -7.713 4.175 7.752 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.484 5.796 8.569 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.175 4.461 10.758 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.310 5.797 10.778 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.348 4.064 12.022 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.186 4.094 10.484 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.861 2.134 9.702 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.969 2.119 11.210 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.966 1.650 10.899 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.761 0.421 11.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.932 1.129 13.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.271 1.468 13.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.374 2.718 13.010 1.00 0.00 H new ATOM 61 N PHE A 4 -4.022 3.552 8.650 1.00 0.00 N ATOM 62 CA PHE A 4 -3.120 2.466 8.252 1.00 0.00 C ATOM 63 C PHE A 4 -3.119 1.382 9.337 1.00 0.00 C ATOM 64 O PHE A 4 -2.790 1.656 10.494 1.00 0.00 O ATOM 65 CB PHE A 4 -1.679 3.006 8.062 1.00 0.00 C ATOM 66 CG PHE A 4 -1.543 4.078 6.986 1.00 0.00 C ATOM 67 CD1 PHE A 4 -1.696 5.433 7.297 1.00 0.00 C ATOM 68 CD2 PHE A 4 -1.248 3.732 5.669 1.00 0.00 C ATOM 69 CE1 PHE A 4 -1.564 6.400 6.323 1.00 0.00 C ATOM 70 CE2 PHE A 4 -1.114 4.699 4.696 1.00 0.00 C ATOM 71 CZ PHE A 4 -1.268 6.032 5.026 1.00 0.00 C ATOM 0 H PHE A 4 -3.602 4.190 9.325 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.467 2.045 7.308 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.329 3.414 9.010 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.022 2.173 7.812 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.920 5.725 8.312 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.123 2.692 5.407 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.692 7.443 6.574 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.889 4.416 3.678 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.156 6.790 4.265 1.00 0.00 H new ATOM 81 N GLU A 5 -3.507 0.157 8.965 1.00 0.00 N ATOM 82 CA GLU A 5 -3.457 -0.999 9.869 1.00 0.00 C ATOM 83 C GLU A 5 -2.167 -1.782 9.614 1.00 0.00 C ATOM 84 O GLU A 5 -2.013 -2.395 8.549 1.00 0.00 O ATOM 85 CB GLU A 5 -4.700 -1.913 9.700 1.00 0.00 C ATOM 86 CG GLU A 5 -6.007 -1.309 10.235 1.00 0.00 C ATOM 87 CD GLU A 5 -7.188 -2.294 10.194 1.00 0.00 C ATOM 88 OE1 GLU A 5 -7.745 -2.528 9.104 1.00 0.00 O ATOM 89 OE2 GLU A 5 -7.555 -2.847 11.251 1.00 0.00 O ATOM 0 H GLU A 5 -3.863 -0.061 8.034 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.466 -0.638 10.897 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.826 -2.143 8.642 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.514 -2.857 10.211 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.853 -0.978 11.262 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.258 -0.425 9.649 1.00 0.00 H new ATOM 96 N ILE A 6 -1.247 -1.751 10.593 1.00 0.00 N ATOM 97 CA ILE A 6 0.049 -2.439 10.514 1.00 0.00 C ATOM 98 C ILE A 6 -0.033 -3.702 11.357 1.00 0.00 C ATOM 99 O ILE A 6 -0.183 -3.636 12.574 1.00 0.00 O ATOM 100 CB ILE A 6 1.214 -1.559 11.084 1.00 0.00 C ATOM 101 CG1 ILE A 6 1.214 -0.157 10.411 1.00 0.00 C ATOM 102 CG2 ILE A 6 2.585 -2.285 10.932 1.00 0.00 C ATOM 103 CD1 ILE A 6 2.059 0.868 11.128 1.00 0.00 C ATOM 0 H ILE A 6 -1.385 -1.244 11.467 1.00 0.00 H new ATOM 0 HA ILE A 6 0.257 -2.654 9.466 1.00 0.00 H new ATOM 0 HB ILE A 6 1.051 -1.409 12.151 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.573 -0.257 9.387 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.188 0.208 10.355 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.377 -1.654 11.335 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.560 -3.228 11.477 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.778 -2.481 9.877 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.007 1.818 10.597 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.687 0.999 12.144 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.094 0.527 11.161 1.00 0.00 H new ATOM 115 N TYR A 7 0.085 -4.837 10.719 1.00 0.00 N ATOM 116 CA TYR A 7 0.014 -6.124 11.388 1.00 0.00 C ATOM 117 C TYR A 7 1.061 -7.060 10.789 1.00 0.00 C ATOM 118 O TYR A 7 1.853 -6.664 9.925 1.00 0.00 O ATOM 119 CB TYR A 7 -1.421 -6.697 11.260 1.00 0.00 C ATOM 120 CG TYR A 7 -1.882 -6.890 9.804 1.00 0.00 C ATOM 121 CD1 TYR A 7 -2.367 -5.815 9.054 1.00 0.00 C ATOM 122 CD2 TYR A 7 -1.807 -8.135 9.176 1.00 0.00 C ATOM 123 CE1 TYR A 7 -2.759 -5.980 7.745 1.00 0.00 C ATOM 124 CE2 TYR A 7 -2.202 -8.298 7.865 1.00 0.00 C ATOM 125 CZ TYR A 7 -2.677 -7.220 7.156 1.00 0.00 C ATOM 126 OH TYR A 7 -3.073 -7.388 5.850 1.00 0.00 O ATOM 0 H TYR A 7 0.234 -4.902 9.712 1.00 0.00 H new ATOM 0 HA TYR A 7 0.231 -6.015 12.451 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.467 -7.656 11.777 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.117 -6.028 11.766 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.435 -4.838 9.509 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.433 -8.985 9.727 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.130 -5.137 7.181 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.138 -9.269 7.397 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.949 -8.324 5.588 1.00 0.00 H new ATOM 136 N GLN A 8 1.079 -8.292 11.278 1.00 0.00 N ATOM 137 CA GLN A 8 1.791 -9.388 10.622 1.00 0.00 C ATOM 138 C GLN A 8 0.791 -10.509 10.318 1.00 0.00 C ATOM 139 O GLN A 8 -0.258 -10.638 10.965 1.00 0.00 O ATOM 140 CB GLN A 8 2.992 -9.942 11.455 1.00 0.00 C ATOM 141 CG GLN A 8 2.616 -11.008 12.514 1.00 0.00 C ATOM 142 CD GLN A 8 3.796 -11.700 13.211 1.00 0.00 C ATOM 143 OE1 GLN A 8 3.647 -12.804 13.746 1.00 0.00 O ATOM 144 NE2 GLN A 8 4.989 -11.143 13.115 1.00 0.00 N ATOM 0 H GLN A 8 0.603 -8.563 12.138 1.00 0.00 H new ATOM 0 HA GLN A 8 2.226 -8.994 9.704 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.722 -10.373 10.770 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.481 -9.108 11.958 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.996 -10.534 13.275 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.004 -11.771 12.033 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.092 -10.231 12.670 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.808 -11.625 13.486 1.00 0.00 H new ATOM 153 N ASP A 9 1.142 -11.293 9.326 1.00 0.00 N ATOM 154 CA ASP A 9 0.425 -12.480 8.917 1.00 0.00 C ATOM 155 C ASP A 9 0.950 -13.673 9.723 1.00 0.00 C ATOM 156 O ASP A 9 2.064 -13.595 10.256 1.00 0.00 O ATOM 157 CB ASP A 9 0.648 -12.668 7.392 1.00 0.00 C ATOM 158 CG ASP A 9 0.023 -13.946 6.828 1.00 0.00 C ATOM 159 OD1 ASP A 9 -1.216 -14.054 6.839 1.00 0.00 O ATOM 160 OD2 ASP A 9 0.765 -14.853 6.390 1.00 0.00 O ATOM 0 H ASP A 9 1.970 -11.114 8.757 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.645 -12.394 9.106 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.233 -11.809 6.865 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.719 -12.679 7.190 1.00 0.00 H new ATOM 165 N LYS A 10 0.131 -14.750 9.786 1.00 0.00 N ATOM 166 CA LYS A 10 0.452 -16.048 10.441 1.00 0.00 C ATOM 167 C LYS A 10 1.880 -16.570 10.109 1.00 0.00 C ATOM 168 O LYS A 10 2.549 -17.166 10.960 1.00 0.00 O ATOM 169 CB LYS A 10 -0.666 -17.103 10.122 1.00 0.00 C ATOM 170 CG LYS A 10 -1.236 -17.088 8.671 1.00 0.00 C ATOM 171 CD LYS A 10 -0.370 -17.816 7.618 1.00 0.00 C ATOM 172 CE LYS A 10 -0.310 -19.337 7.826 1.00 0.00 C ATOM 173 NZ LYS A 10 0.462 -20.006 6.749 1.00 0.00 N ATOM 0 H LYS A 10 -0.801 -14.743 9.371 1.00 0.00 H new ATOM 0 HA LYS A 10 0.465 -15.877 11.518 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.266 -18.097 10.322 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.492 -16.947 10.816 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.226 -17.543 8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.365 -16.052 8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.767 -17.608 6.624 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.642 -17.412 7.648 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.147 -19.555 8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.322 -19.741 7.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.482 -21.031 6.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.011 -19.818 5.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.435 -19.638 6.739 1.00 0.00 H new ATOM 187 N ALA A 11 2.331 -16.294 8.869 1.00 0.00 N ATOM 188 CA ALA A 11 3.685 -16.648 8.379 1.00 0.00 C ATOM 189 C ALA A 11 4.812 -15.772 9.018 1.00 0.00 C ATOM 190 O ALA A 11 5.980 -15.921 8.656 1.00 0.00 O ATOM 191 CB ALA A 11 3.713 -16.540 6.834 1.00 0.00 C ATOM 0 H ALA A 11 1.763 -15.815 8.170 1.00 0.00 H new ATOM 0 HA ALA A 11 3.891 -17.674 8.684 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.707 -16.799 6.469 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.980 -17.225 6.408 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.472 -15.520 6.536 1.00 0.00 H new ATOM 197 N GLY A 12 4.450 -14.889 9.987 1.00 0.00 N ATOM 198 CA GLY A 12 5.366 -13.921 10.594 1.00 0.00 C ATOM 199 C GLY A 12 5.829 -12.866 9.607 1.00 0.00 C ATOM 200 O GLY A 12 6.966 -12.390 9.677 1.00 0.00 O ATOM 0 H GLY A 12 3.503 -14.839 10.363 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.872 -13.436 11.436 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.233 -14.447 10.994 1.00 0.00 H new ATOM 204 N GLU A 13 4.923 -12.484 8.695 1.00 0.00 N ATOM 205 CA GLU A 13 5.237 -11.546 7.584 1.00 0.00 C ATOM 206 C GLU A 13 4.513 -10.223 7.811 1.00 0.00 C ATOM 207 O GLU A 13 3.311 -10.219 7.978 1.00 0.00 O ATOM 208 CB GLU A 13 4.808 -12.153 6.219 1.00 0.00 C ATOM 209 CG GLU A 13 5.534 -13.454 5.831 1.00 0.00 C ATOM 210 CD GLU A 13 7.058 -13.287 5.690 1.00 0.00 C ATOM 211 OE1 GLU A 13 7.504 -12.612 4.731 1.00 0.00 O ATOM 212 OE2 GLU A 13 7.818 -13.843 6.513 1.00 0.00 O ATOM 0 H GLU A 13 3.956 -12.808 8.698 1.00 0.00 H new ATOM 0 HA GLU A 13 6.313 -11.374 7.564 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.736 -12.346 6.245 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.979 -11.412 5.438 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.328 -14.215 6.584 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.128 -13.820 4.888 1.00 0.00 H new ATOM 219 N TYR A 14 5.219 -9.097 7.721 1.00 0.00 N ATOM 220 CA TYR A 14 4.636 -7.786 8.063 1.00 0.00 C ATOM 221 C TYR A 14 3.892 -7.231 6.849 1.00 0.00 C ATOM 222 O TYR A 14 4.416 -7.229 5.745 1.00 0.00 O ATOM 223 CB TYR A 14 5.715 -6.803 8.587 1.00 0.00 C ATOM 224 CG TYR A 14 6.235 -7.224 9.967 1.00 0.00 C ATOM 225 CD1 TYR A 14 5.540 -6.868 11.129 1.00 0.00 C ATOM 226 CD2 TYR A 14 7.375 -8.019 10.110 1.00 0.00 C ATOM 227 CE1 TYR A 14 5.972 -7.281 12.371 1.00 0.00 C ATOM 228 CE2 TYR A 14 7.799 -8.437 11.352 1.00 0.00 C ATOM 229 CZ TYR A 14 7.096 -8.066 12.475 1.00 0.00 C ATOM 230 OH TYR A 14 7.514 -8.492 13.708 1.00 0.00 O ATOM 0 H TYR A 14 6.192 -9.058 7.416 1.00 0.00 H new ATOM 0 HA TYR A 14 3.922 -7.914 8.877 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.545 -6.762 7.881 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.296 -5.798 8.646 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.651 -6.260 11.051 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.933 -8.311 9.232 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.430 -6.989 13.258 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.681 -9.054 11.444 1.00 0.00 H new ATOM 0 HH TYR A 14 8.322 -9.038 13.609 1.00 0.00 H new ATOM 240 N ARG A 15 2.632 -6.861 7.065 1.00 0.00 N ATOM 241 CA ARG A 15 1.773 -6.220 6.062 1.00 0.00 C ATOM 242 C ARG A 15 1.200 -4.958 6.695 1.00 0.00 C ATOM 243 O ARG A 15 0.749 -4.994 7.840 1.00 0.00 O ATOM 244 CB ARG A 15 0.600 -7.154 5.588 1.00 0.00 C ATOM 245 CG ARG A 15 0.962 -8.233 4.529 1.00 0.00 C ATOM 246 CD ARG A 15 1.813 -9.398 5.067 1.00 0.00 C ATOM 247 NE ARG A 15 2.308 -10.265 3.977 1.00 0.00 N ATOM 248 CZ ARG A 15 3.524 -10.176 3.399 1.00 0.00 C ATOM 249 NH1 ARG A 15 4.407 -9.264 3.798 1.00 0.00 N ATOM 250 NH2 ARG A 15 3.849 -11.007 2.420 1.00 0.00 N ATOM 0 H ARG A 15 2.166 -7.000 7.961 1.00 0.00 H new ATOM 0 HA ARG A 15 2.369 -5.995 5.177 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.189 -7.658 6.463 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.193 -6.527 5.180 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.040 -8.637 4.111 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.500 -7.754 3.711 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.659 -9.001 5.628 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.219 -9.991 5.762 1.00 0.00 H new ATOM 0 HE ARG A 15 1.678 -10.990 3.633 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.169 -8.619 4.551 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.322 -9.210 3.351 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.181 -11.711 2.106 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.767 -10.943 1.980 1.00 0.00 H new ATOM 264 N PHE A 16 1.208 -3.847 5.955 1.00 0.00 N ATOM 265 CA PHE A 16 0.455 -2.651 6.334 1.00 0.00 C ATOM 266 C PHE A 16 -0.501 -2.316 5.196 1.00 0.00 C ATOM 267 O PHE A 16 -0.120 -2.326 4.015 1.00 0.00 O ATOM 268 CB PHE A 16 1.369 -1.453 6.734 1.00 0.00 C ATOM 269 CG PHE A 16 2.330 -0.895 5.672 1.00 0.00 C ATOM 270 CD1 PHE A 16 1.902 0.054 4.736 1.00 0.00 C ATOM 271 CD2 PHE A 16 3.670 -1.275 5.643 1.00 0.00 C ATOM 272 CE1 PHE A 16 2.778 0.589 3.812 1.00 0.00 C ATOM 273 CE2 PHE A 16 4.549 -0.733 4.721 1.00 0.00 C ATOM 274 CZ PHE A 16 4.102 0.195 3.807 1.00 0.00 C ATOM 0 H PHE A 16 1.731 -3.752 5.085 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.117 -2.857 7.239 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.726 -0.637 7.064 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.963 -1.759 7.595 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.870 0.373 4.736 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.030 -2.006 6.353 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.428 1.315 3.093 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.585 -1.038 4.719 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.787 0.615 3.086 1.00 0.00 H new ATOM 284 N ARG A 17 -1.758 -2.090 5.560 1.00 0.00 N ATOM 285 CA ARG A 17 -2.833 -1.779 4.627 1.00 0.00 C ATOM 286 C ARG A 17 -3.296 -0.346 4.861 1.00 0.00 C ATOM 287 O ARG A 17 -2.983 0.261 5.895 1.00 0.00 O ATOM 288 CB ARG A 17 -4.005 -2.787 4.834 1.00 0.00 C ATOM 289 CG ARG A 17 -4.752 -2.655 6.183 1.00 0.00 C ATOM 290 CD ARG A 17 -5.454 -3.950 6.639 1.00 0.00 C ATOM 291 NE ARG A 17 -6.499 -4.403 5.709 1.00 0.00 N ATOM 292 CZ ARG A 17 -6.646 -5.660 5.256 1.00 0.00 C ATOM 293 NH1 ARG A 17 -5.728 -6.588 5.491 1.00 0.00 N ATOM 294 NH2 ARG A 17 -7.704 -5.967 4.522 1.00 0.00 N ATOM 0 H ARG A 17 -2.064 -2.119 6.533 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.481 -1.868 3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.723 -2.657 4.024 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.611 -3.800 4.752 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.042 -2.348 6.951 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.494 -1.861 6.100 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.710 -4.739 6.751 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.897 -3.788 7.622 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.167 -3.706 5.381 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.891 -6.354 6.025 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.859 -7.536 5.138 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.399 -5.252 4.305 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.824 -6.918 4.174 1.00 0.00 H new ATOM 308 N PHE A 18 -4.042 0.185 3.897 1.00 0.00 N ATOM 309 CA PHE A 18 -4.718 1.478 4.032 1.00 0.00 C ATOM 310 C PHE A 18 -6.216 1.252 3.830 1.00 0.00 C ATOM 311 O PHE A 18 -6.636 0.544 2.897 1.00 0.00 O ATOM 312 CB PHE A 18 -4.161 2.515 3.035 1.00 0.00 C ATOM 313 CG PHE A 18 -4.744 3.916 3.158 1.00 0.00 C ATOM 314 CD1 PHE A 18 -4.940 4.506 4.403 1.00 0.00 C ATOM 315 CD2 PHE A 18 -5.071 4.649 2.023 1.00 0.00 C ATOM 316 CE1 PHE A 18 -5.448 5.774 4.506 1.00 0.00 C ATOM 317 CE2 PHE A 18 -5.576 5.922 2.124 1.00 0.00 C ATOM 318 CZ PHE A 18 -5.767 6.484 3.365 1.00 0.00 C ATOM 0 H PHE A 18 -4.197 -0.268 2.996 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.538 1.887 5.026 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.081 2.576 3.166 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.339 2.153 2.022 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.689 3.958 5.299 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.926 4.211 1.047 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.599 6.218 5.479 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.822 6.480 1.233 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.168 7.484 3.447 1.00 0.00 H new ATOM 328 N LYS A 19 -6.996 1.841 4.729 1.00 0.00 N ATOM 329 CA LYS A 19 -8.442 1.659 4.805 1.00 0.00 C ATOM 330 C LYS A 19 -9.170 2.824 4.121 1.00 0.00 C ATOM 331 O LYS A 19 -8.540 3.757 3.606 1.00 0.00 O ATOM 332 CB LYS A 19 -8.845 1.529 6.299 1.00 0.00 C ATOM 333 CG LYS A 19 -8.212 0.299 6.997 1.00 0.00 C ATOM 334 CD LYS A 19 -8.652 -1.024 6.316 1.00 0.00 C ATOM 335 CE LYS A 19 -10.135 -1.358 6.581 1.00 0.00 C ATOM 336 NZ LYS A 19 -10.333 -1.938 7.931 1.00 0.00 N ATOM 0 H LYS A 19 -6.633 2.473 5.442 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.734 0.751 4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.546 2.433 6.829 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.930 1.461 6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.125 0.381 6.969 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.503 0.284 8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.486 -0.949 5.241 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.028 -1.841 6.679 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.735 -0.454 6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.490 -2.061 5.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.893 -2.811 7.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.408 -2.155 8.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.837 -1.255 8.532 1.00 0.00 H new ATOM 350 N ALA A 20 -10.511 2.755 4.143 1.00 0.00 N ATOM 351 CA ALA A 20 -11.390 3.763 3.540 1.00 0.00 C ATOM 352 C ALA A 20 -12.495 4.163 4.528 1.00 0.00 C ATOM 353 O ALA A 20 -12.711 3.476 5.531 1.00 0.00 O ATOM 354 CB ALA A 20 -11.971 3.236 2.226 1.00 0.00 C ATOM 0 H ALA A 20 -11.018 1.988 4.585 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.810 4.657 3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.622 3.992 1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.160 3.010 1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.546 2.330 2.420 1.00 0.00 H new ATOM 360 N SER A 21 -13.138 5.319 4.253 1.00 0.00 N ATOM 361 CA SER A 21 -14.260 5.867 5.048 1.00 0.00 C ATOM 362 C SER A 21 -15.420 4.854 5.255 1.00 0.00 C ATOM 363 O SER A 21 -16.059 4.837 6.311 1.00 0.00 O ATOM 364 CB SER A 21 -14.789 7.149 4.363 1.00 0.00 C ATOM 365 OG SER A 21 -13.733 8.058 4.071 1.00 0.00 O ATOM 0 H SER A 21 -12.888 5.908 3.459 1.00 0.00 H new ATOM 0 HA SER A 21 -13.872 6.094 6.041 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.307 6.883 3.441 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.519 7.634 5.011 1.00 0.00 H new ATOM 0 HG SER A 21 -14.099 8.857 3.637 1.00 0.00 H new ATOM 371 N ASN A 22 -15.676 4.014 4.233 1.00 0.00 N ATOM 372 CA ASN A 22 -16.736 2.973 4.287 1.00 0.00 C ATOM 373 C ASN A 22 -16.245 1.686 4.991 1.00 0.00 C ATOM 374 O ASN A 22 -17.023 0.744 5.170 1.00 0.00 O ATOM 375 CB ASN A 22 -17.242 2.664 2.859 1.00 0.00 C ATOM 376 CG ASN A 22 -16.205 1.970 1.995 1.00 0.00 C ATOM 377 OD1 ASN A 22 -15.354 2.618 1.389 1.00 0.00 O ATOM 378 ND2 ASN A 22 -16.267 0.651 1.930 1.00 0.00 N ATOM 0 H ASN A 22 -15.162 4.032 3.352 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.563 3.363 4.881 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -18.131 2.036 2.923 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -17.543 3.595 2.378 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -15.594 0.136 1.362 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.988 0.148 2.447 1.00 0.00 H new ATOM 385 N GLY A 23 -14.961 1.670 5.378 1.00 0.00 N ATOM 386 CA GLY A 23 -14.332 0.528 6.045 1.00 0.00 C ATOM 387 C GLY A 23 -13.949 -0.582 5.084 1.00 0.00 C ATOM 388 O GLY A 23 -14.245 -1.751 5.333 1.00 0.00 O ATOM 0 H GLY A 23 -14.328 2.457 5.234 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.441 0.868 6.573 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.015 0.131 6.796 1.00 0.00 H new ATOM 392 N GLU A 24 -13.260 -0.210 3.993 1.00 0.00 N ATOM 393 CA GLU A 24 -12.712 -1.176 3.016 1.00 0.00 C ATOM 394 C GLU A 24 -11.210 -0.922 2.858 1.00 0.00 C ATOM 395 O GLU A 24 -10.738 0.185 3.100 1.00 0.00 O ATOM 396 CB GLU A 24 -13.411 -1.080 1.627 1.00 0.00 C ATOM 397 CG GLU A 24 -13.051 0.169 0.790 1.00 0.00 C ATOM 398 CD GLU A 24 -13.648 0.163 -0.627 1.00 0.00 C ATOM 399 OE1 GLU A 24 -14.828 0.547 -0.787 1.00 0.00 O ATOM 400 OE2 GLU A 24 -12.947 -0.236 -1.583 1.00 0.00 O ATOM 0 H GLU A 24 -13.066 0.764 3.760 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.896 -2.180 3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.158 -1.969 1.049 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.490 -1.096 1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.397 1.059 1.316 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.966 0.244 0.716 1.00 0.00 H new ATOM 407 N THR A 25 -10.466 -1.958 2.473 1.00 0.00 N ATOM 408 CA THR A 25 -9.033 -1.850 2.167 1.00 0.00 C ATOM 409 C THR A 25 -8.843 -1.660 0.660 1.00 0.00 C ATOM 410 O THR A 25 -9.590 -2.222 -0.150 1.00 0.00 O ATOM 411 CB THR A 25 -8.281 -3.119 2.659 1.00 0.00 C ATOM 412 OG1 THR A 25 -8.518 -3.277 4.057 1.00 0.00 O ATOM 413 CG2 THR A 25 -6.765 -3.072 2.392 1.00 0.00 C ATOM 0 H THR A 25 -10.838 -2.901 2.363 1.00 0.00 H new ATOM 0 HA THR A 25 -8.618 -0.986 2.686 1.00 0.00 H new ATOM 0 HB THR A 25 -8.667 -3.967 2.094 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.452 -3.534 4.203 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.302 -3.988 2.760 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.587 -2.981 1.321 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.331 -2.214 2.906 1.00 0.00 H new ATOM 421 N MET A 26 -7.835 -0.863 0.306 1.00 0.00 N ATOM 422 CA MET A 26 -7.545 -0.488 -1.084 1.00 0.00 C ATOM 423 C MET A 26 -6.117 -0.911 -1.502 1.00 0.00 C ATOM 424 O MET A 26 -5.888 -1.202 -2.677 1.00 0.00 O ATOM 425 CB MET A 26 -7.818 1.027 -1.277 1.00 0.00 C ATOM 426 CG MET A 26 -7.304 1.927 -0.144 1.00 0.00 C ATOM 427 SD MET A 26 -5.517 1.867 0.060 1.00 0.00 S ATOM 428 CE MET A 26 -4.988 2.469 -1.527 1.00 0.00 C ATOM 0 H MET A 26 -7.188 -0.454 0.980 1.00 0.00 H new ATOM 0 HA MET A 26 -8.212 -1.031 -1.754 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.359 1.348 -2.212 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.893 1.177 -1.381 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.606 2.956 -0.342 1.00 0.00 H new ATOM 0 HG3 MET A 26 -7.779 1.629 0.791 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.955 2.170 -1.704 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.625 2.051 -2.306 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.059 3.557 -1.546 1.00 0.00 H new ATOM 438 N PHE A 27 -5.150 -0.947 -0.553 1.00 0.00 N ATOM 439 CA PHE A 27 -3.840 -1.590 -0.807 1.00 0.00 C ATOM 440 C PHE A 27 -3.387 -2.397 0.403 1.00 0.00 C ATOM 441 O PHE A 27 -3.694 -2.066 1.553 1.00 0.00 O ATOM 442 CB PHE A 27 -2.710 -0.595 -1.274 1.00 0.00 C ATOM 443 CG PHE A 27 -1.875 0.149 -0.197 1.00 0.00 C ATOM 444 CD1 PHE A 27 -0.743 -0.429 0.391 1.00 0.00 C ATOM 445 CD2 PHE A 27 -2.199 1.439 0.188 1.00 0.00 C ATOM 446 CE1 PHE A 27 0.004 0.268 1.329 1.00 0.00 C ATOM 447 CE2 PHE A 27 -1.466 2.134 1.111 1.00 0.00 C ATOM 448 CZ PHE A 27 -0.359 1.554 1.692 1.00 0.00 C ATOM 0 H PHE A 27 -5.250 -0.546 0.379 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.003 -2.263 -1.649 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.016 -1.155 -1.901 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.176 0.159 -1.909 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.448 -1.429 0.111 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.061 1.914 -0.256 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.871 -0.194 1.778 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.755 3.138 1.384 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.220 2.098 2.424 1.00 0.00 H new ATOM 458 N SER A 28 -2.651 -3.454 0.084 1.00 0.00 N ATOM 459 CA SER A 28 -1.917 -4.276 1.035 1.00 0.00 C ATOM 460 C SER A 28 -0.457 -4.273 0.575 1.00 0.00 C ATOM 461 O SER A 28 -0.180 -4.446 -0.625 1.00 0.00 O ATOM 462 CB SER A 28 -2.510 -5.700 1.078 1.00 0.00 C ATOM 463 OG SER A 28 -3.891 -5.665 1.419 1.00 0.00 O ATOM 0 H SER A 28 -2.546 -3.773 -0.879 1.00 0.00 H new ATOM 0 HA SER A 28 -1.989 -3.886 2.050 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.383 -6.181 0.108 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.967 -6.303 1.806 1.00 0.00 H new ATOM 0 HG SER A 28 -4.246 -6.578 1.439 1.00 0.00 H new ATOM 469 N SER A 29 0.469 -4.035 1.508 1.00 0.00 N ATOM 470 CA SER A 29 1.896 -3.884 1.206 1.00 0.00 C ATOM 471 C SER A 29 2.671 -5.070 1.789 1.00 0.00 C ATOM 472 O SER A 29 2.168 -5.792 2.661 1.00 0.00 O ATOM 473 CB SER A 29 2.403 -2.544 1.789 1.00 0.00 C ATOM 474 OG SER A 29 3.806 -2.400 1.684 1.00 0.00 O ATOM 0 H SER A 29 0.249 -3.941 2.500 1.00 0.00 H new ATOM 0 HA SER A 29 2.052 -3.872 0.127 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.917 -1.719 1.268 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.112 -2.475 2.837 1.00 0.00 H new ATOM 0 HG SER A 29 4.116 -1.737 2.335 1.00 0.00 H new ATOM 480 N GLU A 30 3.915 -5.227 1.325 1.00 0.00 N ATOM 481 CA GLU A 30 4.840 -6.285 1.783 1.00 0.00 C ATOM 482 C GLU A 30 5.484 -5.935 3.142 1.00 0.00 C ATOM 483 O GLU A 30 6.327 -6.687 3.642 1.00 0.00 O ATOM 484 CB GLU A 30 5.925 -6.592 0.688 1.00 0.00 C ATOM 485 CG GLU A 30 6.276 -5.447 -0.298 1.00 0.00 C ATOM 486 CD GLU A 30 6.960 -4.224 0.335 1.00 0.00 C ATOM 487 OE1 GLU A 30 8.185 -4.281 0.557 1.00 0.00 O ATOM 488 OE2 GLU A 30 6.284 -3.198 0.588 1.00 0.00 O ATOM 0 H GLU A 30 4.319 -4.619 0.612 1.00 0.00 H new ATOM 0 HA GLU A 30 4.255 -7.192 1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.841 -6.895 1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.585 -7.448 0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.928 -5.846 -1.075 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.360 -5.118 -0.788 1.00 0.00 H new ATOM 495 N GLY A 31 5.096 -4.781 3.726 1.00 0.00 N ATOM 496 CA GLY A 31 5.559 -4.365 5.065 1.00 0.00 C ATOM 497 C GLY A 31 6.942 -3.723 5.063 1.00 0.00 C ATOM 498 O GLY A 31 7.413 -3.258 6.113 1.00 0.00 O ATOM 0 H GLY A 31 4.458 -4.117 3.286 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.842 -3.660 5.485 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.573 -5.235 5.721 1.00 0.00 H new ATOM 502 N TYR A 32 7.588 -3.767 3.876 1.00 0.00 N ATOM 503 CA TYR A 32 8.896 -3.184 3.572 1.00 0.00 C ATOM 504 C TYR A 32 10.053 -4.068 4.102 1.00 0.00 C ATOM 505 O TYR A 32 10.968 -4.416 3.339 1.00 0.00 O ATOM 506 CB TYR A 32 9.000 -1.697 4.031 1.00 0.00 C ATOM 507 CG TYR A 32 10.115 -0.895 3.354 1.00 0.00 C ATOM 508 CD1 TYR A 32 10.422 -1.095 2.006 1.00 0.00 C ATOM 509 CD2 TYR A 32 10.841 0.074 4.046 1.00 0.00 C ATOM 510 CE1 TYR A 32 11.408 -0.370 1.386 1.00 0.00 C ATOM 511 CE2 TYR A 32 11.830 0.800 3.421 1.00 0.00 C ATOM 512 CZ TYR A 32 12.107 0.571 2.096 1.00 0.00 C ATOM 513 OH TYR A 32 13.091 1.284 1.474 1.00 0.00 O ATOM 0 H TYR A 32 7.181 -4.237 3.067 1.00 0.00 H new ATOM 0 HA TYR A 32 8.999 -3.164 2.487 1.00 0.00 H new ATOM 0 HB2 TYR A 32 8.047 -1.204 3.838 1.00 0.00 H new ATOM 0 HB3 TYR A 32 9.158 -1.674 5.109 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.873 -1.834 1.441 1.00 0.00 H new ATOM 0 HD2 TYR A 32 10.624 0.258 5.088 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.632 -0.540 0.343 1.00 0.00 H new ATOM 0 HE2 TYR A 32 12.385 1.546 3.970 1.00 0.00 H new ATOM 0 HH TYR A 32 12.735 1.687 0.655 1.00 0.00 H new ATOM 523 N LYS A 33 9.999 -4.430 5.403 1.00 0.00 N ATOM 524 CA LYS A 33 10.966 -5.346 6.036 1.00 0.00 C ATOM 525 C LYS A 33 10.429 -5.837 7.397 1.00 0.00 C ATOM 526 O LYS A 33 10.270 -7.040 7.622 1.00 0.00 O ATOM 527 CB LYS A 33 12.353 -4.650 6.211 1.00 0.00 C ATOM 528 CG LYS A 33 13.464 -5.541 6.809 1.00 0.00 C ATOM 529 CD LYS A 33 13.783 -6.771 5.922 1.00 0.00 C ATOM 530 CE LYS A 33 14.830 -7.698 6.552 1.00 0.00 C ATOM 531 NZ LYS A 33 16.115 -6.995 6.795 1.00 0.00 N ATOM 0 H LYS A 33 9.280 -4.092 6.043 1.00 0.00 H new ATOM 0 HA LYS A 33 11.099 -6.210 5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.685 -4.287 5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.226 -3.777 6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.369 -4.948 6.940 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.159 -5.881 7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.866 -7.333 5.744 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.142 -6.430 4.951 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.447 -8.091 7.494 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.001 -8.552 5.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 16.831 -7.680 7.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.434 -6.540 5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 15.981 -6.272 7.530 1.00 0.00 H new ATOM 545 N ALA A 34 10.143 -4.884 8.286 1.00 0.00 N ATOM 546 CA ALA A 34 9.733 -5.150 9.682 1.00 0.00 C ATOM 547 C ALA A 34 8.741 -4.067 10.115 1.00 0.00 C ATOM 548 O ALA A 34 8.293 -3.293 9.265 1.00 0.00 O ATOM 549 CB ALA A 34 10.973 -5.184 10.588 1.00 0.00 C ATOM 0 H ALA A 34 10.188 -3.890 8.062 1.00 0.00 H new ATOM 0 HA ALA A 34 9.243 -6.120 9.762 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.667 -5.380 11.616 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.647 -5.973 10.253 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.486 -4.223 10.539 1.00 0.00 H new ATOM 555 N LYS A 35 8.391 -3.994 11.422 1.00 0.00 N ATOM 556 CA LYS A 35 7.496 -2.947 11.945 1.00 0.00 C ATOM 557 C LYS A 35 8.156 -1.560 11.830 1.00 0.00 C ATOM 558 O LYS A 35 7.525 -0.615 11.367 1.00 0.00 O ATOM 559 CB LYS A 35 7.129 -3.217 13.425 1.00 0.00 C ATOM 560 CG LYS A 35 6.283 -2.094 14.067 1.00 0.00 C ATOM 561 CD LYS A 35 6.022 -2.273 15.577 1.00 0.00 C ATOM 562 CE LYS A 35 5.485 -0.970 16.200 1.00 0.00 C ATOM 563 NZ LYS A 35 5.077 -1.137 17.616 1.00 0.00 N ATOM 0 H LYS A 35 8.718 -4.651 12.130 1.00 0.00 H new ATOM 0 HA LYS A 35 6.586 -2.965 11.346 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.580 -4.156 13.489 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.046 -3.344 14.001 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.788 -1.141 13.909 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.325 -2.037 13.550 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.304 -3.078 15.733 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.945 -2.567 16.077 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.252 -0.199 16.136 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.632 -0.620 15.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.228 -0.245 18.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.070 -1.395 17.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.646 -1.889 18.055 1.00 0.00 H new ATOM 577 N ALA A 36 9.427 -1.463 12.262 1.00 0.00 N ATOM 578 CA ALA A 36 10.211 -0.209 12.186 1.00 0.00 C ATOM 579 C ALA A 36 10.218 0.345 10.749 1.00 0.00 C ATOM 580 O ALA A 36 9.960 1.524 10.520 1.00 0.00 O ATOM 581 CB ALA A 36 11.644 -0.438 12.687 1.00 0.00 C ATOM 0 H ALA A 36 9.940 -2.244 12.671 1.00 0.00 H new ATOM 0 HA ALA A 36 9.736 0.530 12.831 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.205 0.494 12.624 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.618 -0.776 13.723 1.00 0.00 H new ATOM 0 HB3 ALA A 36 12.128 -1.195 12.071 1.00 0.00 H new ATOM 587 N SER A 37 10.434 -0.566 9.791 1.00 0.00 N ATOM 588 CA SER A 37 10.460 -0.245 8.360 1.00 0.00 C ATOM 589 C SER A 37 9.047 0.061 7.834 1.00 0.00 C ATOM 590 O SER A 37 8.899 0.820 6.877 1.00 0.00 O ATOM 591 CB SER A 37 11.070 -1.420 7.576 1.00 0.00 C ATOM 592 OG SER A 37 12.311 -1.819 8.137 1.00 0.00 O ATOM 0 H SER A 37 10.597 -1.553 9.990 1.00 0.00 H new ATOM 0 HA SER A 37 11.073 0.645 8.219 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.378 -2.262 7.580 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.214 -1.131 6.535 1.00 0.00 H new ATOM 0 HG SER A 37 13.019 -1.724 7.466 1.00 0.00 H new ATOM 598 N ALA A 38 8.021 -0.548 8.479 1.00 0.00 N ATOM 599 CA ALA A 38 6.607 -0.373 8.106 1.00 0.00 C ATOM 600 C ALA A 38 6.148 1.068 8.376 1.00 0.00 C ATOM 601 O ALA A 38 5.666 1.731 7.461 1.00 0.00 O ATOM 602 CB ALA A 38 5.701 -1.384 8.844 1.00 0.00 C ATOM 0 H ALA A 38 8.158 -1.174 9.273 1.00 0.00 H new ATOM 0 HA ALA A 38 6.519 -0.567 7.037 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.664 -1.228 8.546 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.004 -2.399 8.587 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.795 -1.239 9.920 1.00 0.00 H new ATOM 608 N ILE A 39 6.311 1.548 9.638 1.00 0.00 N ATOM 609 CA ILE A 39 5.961 2.937 10.022 1.00 0.00 C ATOM 610 C ILE A 39 6.780 3.943 9.196 1.00 0.00 C ATOM 611 O ILE A 39 6.200 4.866 8.645 1.00 0.00 O ATOM 612 CB ILE A 39 6.159 3.240 11.574 1.00 0.00 C ATOM 613 CG1 ILE A 39 5.102 2.501 12.468 1.00 0.00 C ATOM 614 CG2 ILE A 39 6.122 4.769 11.884 1.00 0.00 C ATOM 615 CD1 ILE A 39 5.281 1.005 12.613 1.00 0.00 C ATOM 0 H ILE A 39 6.684 0.990 10.406 1.00 0.00 H new ATOM 0 HA ILE A 39 4.897 3.047 9.810 1.00 0.00 H new ATOM 0 HB ILE A 39 7.149 2.856 11.822 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.122 2.947 13.462 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.111 2.689 12.054 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.261 4.927 12.954 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.920 5.271 11.336 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.159 5.179 11.579 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.494 0.605 13.252 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.226 0.535 11.631 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.253 0.797 13.061 1.00 0.00 H new ATOM 627 N HIS A 40 8.118 3.739 9.108 1.00 0.00 N ATOM 628 CA HIS A 40 9.033 4.651 8.360 1.00 0.00 C ATOM 629 C HIS A 40 8.596 4.781 6.890 1.00 0.00 C ATOM 630 O HIS A 40 8.595 5.898 6.320 1.00 0.00 O ATOM 631 CB HIS A 40 10.512 4.186 8.462 1.00 0.00 C ATOM 632 CG HIS A 40 11.199 4.530 9.766 1.00 0.00 C ATOM 633 ND1 HIS A 40 12.397 5.213 9.824 1.00 0.00 N ATOM 634 CD2 HIS A 40 10.863 4.282 11.053 1.00 0.00 C ATOM 635 CE1 HIS A 40 12.763 5.354 11.080 1.00 0.00 C ATOM 636 NE2 HIS A 40 11.847 4.802 11.847 1.00 0.00 N ATOM 0 H HIS A 40 8.593 2.950 9.546 1.00 0.00 H new ATOM 0 HA HIS A 40 8.967 5.636 8.823 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.548 3.106 8.323 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.075 4.632 7.642 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.977 3.766 11.392 1.00 0.00 H new ATOM 0 HE1 HIS A 40 13.664 5.841 11.424 1.00 0.00 H new ATOM 0 HE2 HIS A 40 11.868 4.768 12.866 1.00 0.00 H new ATOM 645 N ALA A 41 8.164 3.648 6.297 1.00 0.00 N ATOM 646 CA ALA A 41 7.584 3.631 4.958 1.00 0.00 C ATOM 647 C ALA A 41 6.357 4.546 4.945 1.00 0.00 C ATOM 648 O ALA A 41 6.326 5.522 4.214 1.00 0.00 O ATOM 649 CB ALA A 41 7.225 2.193 4.530 1.00 0.00 C ATOM 0 H ALA A 41 8.212 2.730 6.739 1.00 0.00 H new ATOM 0 HA ALA A 41 8.312 4.000 4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.795 2.208 3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.125 1.578 4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.501 1.775 5.230 1.00 0.00 H new ATOM 655 N ILE A 42 5.403 4.276 5.844 1.00 0.00 N ATOM 656 CA ILE A 42 4.162 5.065 5.978 1.00 0.00 C ATOM 657 C ILE A 42 4.454 6.565 6.259 1.00 0.00 C ATOM 658 O ILE A 42 3.663 7.428 5.892 1.00 0.00 O ATOM 659 CB ILE A 42 3.246 4.449 7.094 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.856 2.989 6.711 1.00 0.00 C ATOM 661 CG2 ILE A 42 1.983 5.308 7.352 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.211 2.203 7.823 1.00 0.00 C ATOM 0 H ILE A 42 5.466 3.501 6.504 1.00 0.00 H new ATOM 0 HA ILE A 42 3.633 5.019 5.026 1.00 0.00 H new ATOM 0 HB ILE A 42 3.814 4.437 8.024 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.174 3.019 5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.751 2.461 6.382 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.380 4.843 8.132 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.281 6.307 7.671 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.398 5.380 6.435 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.973 1.200 7.469 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.897 2.137 8.667 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.295 2.703 8.138 1.00 0.00 H new ATOM 674 N GLU A 43 5.631 6.866 6.833 1.00 0.00 N ATOM 675 CA GLU A 43 6.048 8.250 7.129 1.00 0.00 C ATOM 676 C GLU A 43 6.272 9.033 5.833 1.00 0.00 C ATOM 677 O GLU A 43 6.095 10.245 5.824 1.00 0.00 O ATOM 678 CB GLU A 43 7.295 8.302 8.043 1.00 0.00 C ATOM 679 CG GLU A 43 7.063 7.767 9.469 1.00 0.00 C ATOM 680 CD GLU A 43 6.017 8.561 10.268 1.00 0.00 C ATOM 681 OE1 GLU A 43 6.376 9.608 10.852 1.00 0.00 O ATOM 682 OE2 GLU A 43 4.834 8.152 10.307 1.00 0.00 O ATOM 0 H GLU A 43 6.318 6.162 7.104 1.00 0.00 H new ATOM 0 HA GLU A 43 5.237 8.725 7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.095 7.726 7.578 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.640 9.334 8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.747 6.726 9.409 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.009 7.782 10.011 1.00 0.00 H new ATOM 689 N SER A 44 6.657 8.322 4.745 1.00 0.00 N ATOM 690 CA SER A 44 6.612 8.892 3.370 1.00 0.00 C ATOM 691 C SER A 44 5.210 9.409 3.003 1.00 0.00 C ATOM 692 O SER A 44 5.076 10.498 2.419 1.00 0.00 O ATOM 693 CB SER A 44 7.022 7.844 2.316 1.00 0.00 C ATOM 694 OG SER A 44 8.427 7.629 2.301 1.00 0.00 O ATOM 0 H SER A 44 6.999 7.362 4.788 1.00 0.00 H new ATOM 0 HA SER A 44 7.316 9.724 3.369 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.513 6.903 2.523 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.695 8.173 1.330 1.00 0.00 H new ATOM 0 HG SER A 44 8.627 6.745 2.673 1.00 0.00 H new ATOM 700 N ILE A 45 4.172 8.612 3.349 1.00 0.00 N ATOM 701 CA ILE A 45 2.796 8.888 2.923 1.00 0.00 C ATOM 702 C ILE A 45 2.314 10.190 3.586 1.00 0.00 C ATOM 703 O ILE A 45 1.685 11.042 2.954 1.00 0.00 O ATOM 704 CB ILE A 45 1.757 7.721 3.255 1.00 0.00 C ATOM 705 CG1 ILE A 45 2.370 6.292 3.102 1.00 0.00 C ATOM 706 CG2 ILE A 45 0.543 7.844 2.321 1.00 0.00 C ATOM 707 CD1 ILE A 45 2.621 5.841 1.681 1.00 0.00 C ATOM 0 H ILE A 45 4.270 7.774 3.923 1.00 0.00 H new ATOM 0 HA ILE A 45 2.826 8.973 1.837 1.00 0.00 H new ATOM 0 HB ILE A 45 1.468 7.840 4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.313 6.260 3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.701 5.576 3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.169 7.050 2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.065 8.812 2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.871 7.758 1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.047 4.838 1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.680 5.833 1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.317 6.527 1.199 1.00 0.00 H new ATOM 719 N LYS A 46 2.676 10.334 4.877 1.00 0.00 N ATOM 720 CA LYS A 46 2.226 11.446 5.751 1.00 0.00 C ATOM 721 C LYS A 46 2.669 12.826 5.252 1.00 0.00 C ATOM 722 O LYS A 46 2.068 13.844 5.604 1.00 0.00 O ATOM 723 CB LYS A 46 2.725 11.234 7.227 1.00 0.00 C ATOM 724 CG LYS A 46 2.685 9.773 7.758 1.00 0.00 C ATOM 725 CD LYS A 46 1.389 9.028 7.388 1.00 0.00 C ATOM 726 CE LYS A 46 0.147 9.649 8.003 1.00 0.00 C ATOM 727 NZ LYS A 46 -0.018 9.223 9.409 1.00 0.00 N ATOM 0 H LYS A 46 3.295 9.677 5.351 1.00 0.00 H new ATOM 0 HA LYS A 46 1.137 11.427 5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.750 11.597 7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.120 11.856 7.887 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.538 9.225 7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.793 9.784 8.843 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.282 9.015 6.303 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.468 7.991 7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.217 10.736 7.954 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.732 9.360 7.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.021 9.285 9.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.308 8.241 9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.543 9.843 10.028 1.00 0.00 H new ATOM 741 N ARG A 47 3.716 12.838 4.443 1.00 0.00 N ATOM 742 CA ARG A 47 4.379 14.078 4.008 1.00 0.00 C ATOM 743 C ARG A 47 3.584 14.808 2.901 1.00 0.00 C ATOM 744 O ARG A 47 3.075 15.915 3.124 1.00 0.00 O ATOM 745 CB ARG A 47 5.834 13.771 3.561 1.00 0.00 C ATOM 746 CG ARG A 47 6.667 13.028 4.623 1.00 0.00 C ATOM 747 CD ARG A 47 6.634 13.697 6.012 1.00 0.00 C ATOM 748 NE ARG A 47 7.196 12.817 7.053 1.00 0.00 N ATOM 749 CZ ARG A 47 6.614 12.516 8.227 1.00 0.00 C ATOM 750 NH1 ARG A 47 5.438 13.041 8.569 1.00 0.00 N ATOM 751 NH2 ARG A 47 7.222 11.695 9.067 1.00 0.00 N ATOM 0 H ARG A 47 4.139 11.991 4.063 1.00 0.00 H new ATOM 0 HA ARG A 47 4.412 14.760 4.858 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.806 13.172 2.651 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.333 14.707 3.311 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.298 12.006 4.712 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.701 12.965 4.283 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.197 14.630 5.980 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.606 13.954 6.268 1.00 0.00 H new ATOM 0 HE ARG A 47 8.108 12.399 6.866 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.963 13.684 7.935 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.013 12.800 9.464 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.127 11.294 8.823 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.785 11.463 9.959 1.00 0.00 H new ATOM 765 N ASN A 48 3.442 14.162 1.730 1.00 0.00 N ATOM 766 CA ASN A 48 2.896 14.827 0.513 1.00 0.00 C ATOM 767 C ASN A 48 2.227 13.812 -0.441 1.00 0.00 C ATOM 768 O ASN A 48 1.946 14.137 -1.585 1.00 0.00 O ATOM 769 CB ASN A 48 4.031 15.638 -0.207 1.00 0.00 C ATOM 770 CG ASN A 48 3.521 16.683 -1.206 1.00 0.00 C ATOM 771 OD1 ASN A 48 3.278 17.832 -0.846 1.00 0.00 O ATOM 772 ND2 ASN A 48 3.378 16.295 -2.462 1.00 0.00 N ATOM 0 H ASN A 48 3.694 13.183 1.591 1.00 0.00 H new ATOM 0 HA ASN A 48 2.116 15.524 0.821 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.638 16.139 0.547 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.684 14.940 -0.730 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.057 16.958 -3.167 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.589 15.333 -2.726 1.00 0.00 H new ATOM 779 N SER A 49 1.930 12.592 0.041 1.00 0.00 N ATOM 780 CA SER A 49 1.406 11.501 -0.817 1.00 0.00 C ATOM 781 C SER A 49 -0.011 11.793 -1.354 1.00 0.00 C ATOM 782 O SER A 49 -0.351 11.384 -2.474 1.00 0.00 O ATOM 783 CB SER A 49 1.402 10.187 -0.050 1.00 0.00 C ATOM 784 OG SER A 49 1.086 9.086 -0.875 1.00 0.00 O ATOM 0 H SER A 49 2.042 12.331 1.021 1.00 0.00 H new ATOM 0 HA SER A 49 2.071 11.430 -1.678 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.381 10.030 0.402 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.680 10.247 0.765 1.00 0.00 H new ATOM 0 HG SER A 49 1.183 9.343 -1.816 1.00 0.00 H new ATOM 790 N ALA A 50 -0.830 12.489 -0.543 1.00 0.00 N ATOM 791 CA ALA A 50 -2.151 12.985 -0.974 1.00 0.00 C ATOM 792 C ALA A 50 -2.038 13.975 -2.162 1.00 0.00 C ATOM 793 O ALA A 50 -2.975 14.117 -2.956 1.00 0.00 O ATOM 794 CB ALA A 50 -2.893 13.611 0.216 1.00 0.00 C ATOM 0 H ALA A 50 -0.597 12.722 0.422 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.731 12.136 -1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.867 13.974 -0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.029 12.861 0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.310 14.443 0.611 1.00 0.00 H new ATOM 800 N GLY A 51 -0.877 14.649 -2.266 1.00 0.00 N ATOM 801 CA GLY A 51 -0.575 15.546 -3.385 1.00 0.00 C ATOM 802 C GLY A 51 0.428 14.971 -4.386 1.00 0.00 C ATOM 803 O GLY A 51 0.710 15.611 -5.403 1.00 0.00 O ATOM 0 H GLY A 51 -0.128 14.584 -1.577 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.501 15.782 -3.909 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.183 16.484 -2.991 1.00 0.00 H new ATOM 807 N ALA A 52 0.974 13.771 -4.092 1.00 0.00 N ATOM 808 CA ALA A 52 1.957 13.081 -4.959 1.00 0.00 C ATOM 809 C ALA A 52 1.319 12.689 -6.289 1.00 0.00 C ATOM 810 O ALA A 52 0.183 12.251 -6.308 1.00 0.00 O ATOM 811 CB ALA A 52 2.502 11.827 -4.252 1.00 0.00 C ATOM 0 H ALA A 52 0.745 13.251 -3.245 1.00 0.00 H new ATOM 0 HA ALA A 52 2.781 13.767 -5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.223 11.329 -4.900 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.990 12.117 -3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.679 11.146 -4.034 1.00 0.00 H new ATOM 817 N ASP A 53 2.052 12.829 -7.396 1.00 0.00 N ATOM 818 CA ASP A 53 1.521 12.521 -8.737 1.00 0.00 C ATOM 819 C ASP A 53 1.296 10.997 -8.892 1.00 0.00 C ATOM 820 O ASP A 53 1.905 10.204 -8.179 1.00 0.00 O ATOM 821 CB ASP A 53 2.477 13.075 -9.821 1.00 0.00 C ATOM 822 CG ASP A 53 1.886 12.983 -11.235 1.00 0.00 C ATOM 823 OD1 ASP A 53 1.120 13.887 -11.636 1.00 0.00 O ATOM 824 OD2 ASP A 53 2.163 12.005 -11.948 1.00 0.00 O ATOM 0 H ASP A 53 3.019 13.154 -7.396 1.00 0.00 H new ATOM 0 HA ASP A 53 0.553 13.006 -8.864 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.710 14.116 -9.596 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.416 12.523 -9.788 1.00 0.00 H new ATOM 829 N THR A 54 0.384 10.599 -9.776 1.00 0.00 N ATOM 830 CA THR A 54 0.084 9.180 -10.045 1.00 0.00 C ATOM 831 C THR A 54 0.458 8.834 -11.504 1.00 0.00 C ATOM 832 O THR A 54 -0.271 9.169 -12.446 1.00 0.00 O ATOM 833 CB THR A 54 -1.425 8.885 -9.732 1.00 0.00 C ATOM 834 OG1 THR A 54 -1.729 9.343 -8.394 1.00 0.00 O ATOM 835 CG2 THR A 54 -1.781 7.387 -9.841 1.00 0.00 C ATOM 0 H THR A 54 -0.174 11.248 -10.332 1.00 0.00 H new ATOM 0 HA THR A 54 0.682 8.543 -9.394 1.00 0.00 H new ATOM 0 HB THR A 54 -2.018 9.415 -10.477 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.671 9.163 -8.193 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.838 7.247 -9.613 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.578 7.038 -10.853 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.179 6.817 -9.133 1.00 0.00 H new ATOM 843 N VAL A 55 1.637 8.208 -11.669 1.00 0.00 N ATOM 844 CA VAL A 55 2.191 7.838 -12.988 1.00 0.00 C ATOM 845 C VAL A 55 1.919 6.354 -13.266 1.00 0.00 C ATOM 846 O VAL A 55 2.242 5.503 -12.429 1.00 0.00 O ATOM 847 CB VAL A 55 3.746 8.084 -13.063 1.00 0.00 C ATOM 848 CG1 VAL A 55 4.271 7.895 -14.509 1.00 0.00 C ATOM 849 CG2 VAL A 55 4.123 9.471 -12.507 1.00 0.00 C ATOM 0 H VAL A 55 2.237 7.942 -10.888 1.00 0.00 H new ATOM 0 HA VAL A 55 1.704 8.467 -13.733 1.00 0.00 H new ATOM 0 HB VAL A 55 4.230 7.337 -12.433 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.346 8.071 -14.531 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.062 6.878 -14.842 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.774 8.603 -15.172 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.202 9.609 -12.573 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.622 10.245 -13.089 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.812 9.542 -11.465 1.00 0.00 H new ATOM 859 N ASP A 56 1.324 6.057 -14.436 1.00 0.00 N ATOM 860 CA ASP A 56 1.128 4.680 -14.913 1.00 0.00 C ATOM 861 C ASP A 56 2.156 4.365 -16.023 1.00 0.00 C ATOM 862 O ASP A 56 2.127 4.962 -17.102 1.00 0.00 O ATOM 863 CB ASP A 56 -0.321 4.473 -15.424 1.00 0.00 C ATOM 864 CG ASP A 56 -0.592 3.006 -15.809 1.00 0.00 C ATOM 865 OD1 ASP A 56 -0.222 2.589 -16.921 1.00 0.00 O ATOM 866 OD2 ASP A 56 -1.147 2.252 -14.995 1.00 0.00 O ATOM 0 H ASP A 56 0.966 6.767 -15.076 1.00 0.00 H new ATOM 0 HA ASP A 56 1.284 3.992 -14.082 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.026 4.781 -14.652 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.496 5.113 -16.289 1.00 0.00 H new ATOM 871 N LEU A 57 3.086 3.455 -15.705 1.00 0.00 N ATOM 872 CA LEU A 57 4.144 2.970 -16.606 1.00 0.00 C ATOM 873 C LEU A 57 3.669 1.787 -17.486 1.00 0.00 C ATOM 874 O LEU A 57 4.261 1.531 -18.544 1.00 0.00 O ATOM 875 CB LEU A 57 5.376 2.513 -15.760 1.00 0.00 C ATOM 876 CG LEU A 57 6.193 3.610 -14.987 1.00 0.00 C ATOM 877 CD1 LEU A 57 5.335 4.454 -14.019 1.00 0.00 C ATOM 878 CD2 LEU A 57 7.348 2.951 -14.215 1.00 0.00 C ATOM 0 H LEU A 57 3.125 3.021 -14.783 1.00 0.00 H new ATOM 0 HA LEU A 57 4.412 3.793 -17.269 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.027 1.782 -15.031 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.064 1.994 -16.427 1.00 0.00 H new ATOM 0 HG LEU A 57 6.577 4.297 -15.741 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.966 5.190 -13.521 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.552 4.966 -14.579 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.880 3.802 -13.273 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.912 3.716 -13.681 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.945 2.232 -13.502 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.007 2.437 -14.915 1.00 0.00 H new ATOM 890 N THR A 58 2.592 1.084 -17.066 1.00 0.00 N ATOM 891 CA THR A 58 2.151 -0.176 -17.725 1.00 0.00 C ATOM 892 C THR A 58 1.088 0.098 -18.815 1.00 0.00 C ATOM 893 O THR A 58 0.423 -0.810 -19.308 1.00 0.00 O ATOM 894 CB THR A 58 1.659 -1.235 -16.667 1.00 0.00 C ATOM 895 OG1 THR A 58 1.320 -2.494 -17.285 1.00 0.00 O ATOM 896 CG2 THR A 58 0.486 -0.743 -15.807 1.00 0.00 C ATOM 0 H THR A 58 2.011 1.364 -16.276 1.00 0.00 H new ATOM 0 HA THR A 58 3.016 -0.608 -18.229 1.00 0.00 H new ATOM 0 HB THR A 58 2.508 -1.383 -16.000 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.910 -2.329 -18.160 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.200 -1.523 -15.101 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.786 0.150 -15.259 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.362 -0.506 -16.450 1.00 0.00 H new ATOM 904 N THR A 59 0.972 1.371 -19.232 1.00 0.00 N ATOM 905 CA THR A 59 0.227 1.760 -20.447 1.00 0.00 C ATOM 906 C THR A 59 1.100 1.517 -21.703 1.00 0.00 C ATOM 907 O THR A 59 0.693 1.837 -22.822 1.00 0.00 O ATOM 908 CB THR A 59 -0.258 3.259 -20.371 1.00 0.00 C ATOM 909 OG1 THR A 59 0.679 4.038 -19.602 1.00 0.00 O ATOM 910 CG2 THR A 59 -1.671 3.390 -19.763 1.00 0.00 C ATOM 0 H THR A 59 1.391 2.160 -18.739 1.00 0.00 H new ATOM 0 HA THR A 59 -0.665 1.138 -20.517 1.00 0.00 H new ATOM 0 HB THR A 59 -0.307 3.636 -21.392 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.374 4.968 -19.559 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.958 4.441 -19.733 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.383 2.837 -20.375 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.671 2.985 -18.751 1.00 0.00 H new ATOM 961 N MET B 1 9.023 16.180 -6.467 1.00 0.00 N ATOM 962 CA MET B 1 9.269 15.537 -5.159 1.00 0.00 C ATOM 963 C MET B 1 9.266 14.000 -5.329 1.00 0.00 C ATOM 964 O MET B 1 10.330 13.381 -5.419 1.00 0.00 O ATOM 965 CB MET B 1 8.207 16.021 -4.138 1.00 0.00 C ATOM 966 CG MET B 1 8.449 15.585 -2.690 1.00 0.00 C ATOM 967 SD MET B 1 7.126 16.099 -1.569 1.00 0.00 S ATOM 968 CE MET B 1 7.134 17.886 -1.752 1.00 0.00 C ATOM 0 H1 MET B 1 9.025 17.214 -6.352 1.00 0.00 H new ATOM 0 H2 MET B 1 9.771 15.905 -7.135 1.00 0.00 H new ATOM 0 H3 MET B 1 8.100 15.875 -6.836 1.00 0.00 H new ATOM 0 HA MET B 1 10.248 15.820 -4.773 1.00 0.00 H new ATOM 0 HB2 MET B 1 8.164 17.110 -4.171 1.00 0.00 H new ATOM 0 HB3 MET B 1 7.230 15.654 -4.453 1.00 0.00 H new ATOM 0 HG2 MET B 1 8.547 14.500 -2.654 1.00 0.00 H new ATOM 0 HG3 MET B 1 9.394 16.002 -2.343 1.00 0.00 H new ATOM 0 HE1 MET B 1 6.582 18.339 -0.928 1.00 0.00 H new ATOM 0 HE2 MET B 1 8.162 18.248 -1.742 1.00 0.00 H new ATOM 0 HE3 MET B 1 6.663 18.157 -2.697 1.00 0.00 H new ATOM 978 N TYR B 2 8.057 13.409 -5.419 1.00 0.00 N ATOM 979 CA TYR B 2 7.863 11.955 -5.642 1.00 0.00 C ATOM 980 C TYR B 2 6.475 11.661 -6.251 1.00 0.00 C ATOM 981 O TYR B 2 5.662 12.578 -6.435 1.00 0.00 O ATOM 982 CB TYR B 2 8.099 11.140 -4.340 1.00 0.00 C ATOM 983 CG TYR B 2 7.502 11.721 -3.044 1.00 0.00 C ATOM 984 CD1 TYR B 2 6.160 12.079 -2.943 1.00 0.00 C ATOM 985 CD2 TYR B 2 8.294 11.876 -1.908 1.00 0.00 C ATOM 986 CE1 TYR B 2 5.640 12.569 -1.764 1.00 0.00 C ATOM 987 CE2 TYR B 2 7.781 12.365 -0.738 1.00 0.00 C ATOM 988 CZ TYR B 2 6.455 12.707 -0.667 1.00 0.00 C ATOM 989 OH TYR B 2 5.945 13.190 0.505 1.00 0.00 O ATOM 0 H TYR B 2 7.182 13.926 -5.339 1.00 0.00 H new ATOM 0 HA TYR B 2 8.613 11.632 -6.364 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.690 10.140 -4.485 1.00 0.00 H new ATOM 0 HB3 TYR B 2 9.174 11.027 -4.199 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.516 11.971 -3.803 1.00 0.00 H new ATOM 0 HD2 TYR B 2 9.338 11.603 -1.952 1.00 0.00 H new ATOM 0 HE1 TYR B 2 4.597 12.843 -1.703 1.00 0.00 H new ATOM 0 HE2 TYR B 2 8.418 12.481 0.126 1.00 0.00 H new ATOM 0 HH TYR B 2 6.420 14.010 0.755 1.00 0.00 H new ATOM 999 N LYS B 3 6.205 10.360 -6.525 1.00 0.00 N ATOM 1000 CA LYS B 3 4.979 9.912 -7.210 1.00 0.00 C ATOM 1001 C LYS B 3 4.751 8.390 -7.055 1.00 0.00 C ATOM 1002 O LYS B 3 5.565 7.680 -6.449 1.00 0.00 O ATOM 1003 CB LYS B 3 4.990 10.362 -8.723 1.00 0.00 C ATOM 1004 CG LYS B 3 6.306 10.154 -9.522 1.00 0.00 C ATOM 1005 CD LYS B 3 6.657 8.671 -9.804 1.00 0.00 C ATOM 1006 CE LYS B 3 7.829 8.519 -10.783 1.00 0.00 C ATOM 1007 NZ LYS B 3 9.071 9.156 -10.287 1.00 0.00 N ATOM 0 H LYS B 3 6.834 9.597 -6.275 1.00 0.00 H new ATOM 0 HA LYS B 3 4.131 10.397 -6.727 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.194 9.825 -9.240 1.00 0.00 H new ATOM 0 HB3 LYS B 3 4.737 11.422 -8.761 1.00 0.00 H new ATOM 0 HG2 LYS B 3 6.227 10.683 -10.472 1.00 0.00 H new ATOM 0 HG3 LYS B 3 7.128 10.610 -8.970 1.00 0.00 H new ATOM 0 HD2 LYS B 3 6.905 8.175 -8.866 1.00 0.00 H new ATOM 0 HD3 LYS B 3 5.781 8.165 -10.210 1.00 0.00 H new ATOM 0 HE2 LYS B 3 8.014 7.460 -10.961 1.00 0.00 H new ATOM 0 HE3 LYS B 3 7.556 8.960 -11.742 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 9.844 8.981 -10.961 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 8.921 10.181 -10.190 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 9.321 8.754 -9.361 1.00 0.00 H new ATOM 1021 N PHE B 4 3.629 7.920 -7.625 1.00 0.00 N ATOM 1022 CA PHE B 4 3.226 6.507 -7.654 1.00 0.00 C ATOM 1023 C PHE B 4 3.567 5.912 -9.028 1.00 0.00 C ATOM 1024 O PHE B 4 3.082 6.394 -10.054 1.00 0.00 O ATOM 1025 CB PHE B 4 1.700 6.377 -7.394 1.00 0.00 C ATOM 1026 CG PHE B 4 1.245 6.866 -6.019 1.00 0.00 C ATOM 1027 CD1 PHE B 4 1.240 5.997 -4.932 1.00 0.00 C ATOM 1028 CD2 PHE B 4 0.811 8.189 -5.811 1.00 0.00 C ATOM 1029 CE1 PHE B 4 0.823 6.418 -3.687 1.00 0.00 C ATOM 1030 CE2 PHE B 4 0.399 8.605 -4.564 1.00 0.00 C ATOM 1031 CZ PHE B 4 0.403 7.719 -3.507 1.00 0.00 C ATOM 0 H PHE B 4 2.959 8.532 -8.091 1.00 0.00 H new ATOM 0 HA PHE B 4 3.762 5.966 -6.874 1.00 0.00 H new ATOM 0 HB2 PHE B 4 1.165 6.938 -8.160 1.00 0.00 H new ATOM 0 HB3 PHE B 4 1.413 5.331 -7.506 1.00 0.00 H new ATOM 0 HD1 PHE B 4 1.568 4.977 -5.066 1.00 0.00 H new ATOM 0 HD2 PHE B 4 0.801 8.885 -6.637 1.00 0.00 H new ATOM 0 HE1 PHE B 4 0.825 5.730 -2.854 1.00 0.00 H new ATOM 0 HE2 PHE B 4 0.073 9.624 -4.414 1.00 0.00 H new ATOM 0 HZ PHE B 4 0.075 8.046 -2.532 1.00 0.00 H new ATOM 1041 N GLU B 5 4.411 4.879 -9.044 1.00 0.00 N ATOM 1042 CA GLU B 5 4.759 4.151 -10.272 1.00 0.00 C ATOM 1043 C GLU B 5 3.883 2.901 -10.370 1.00 0.00 C ATOM 1044 O GLU B 5 4.049 1.966 -9.574 1.00 0.00 O ATOM 1045 CB GLU B 5 6.257 3.751 -10.301 1.00 0.00 C ATOM 1046 CG GLU B 5 7.224 4.924 -10.108 1.00 0.00 C ATOM 1047 CD GLU B 5 8.691 4.555 -10.374 1.00 0.00 C ATOM 1048 OE1 GLU B 5 9.231 3.688 -9.661 1.00 0.00 O ATOM 1049 OE2 GLU B 5 9.305 5.132 -11.298 1.00 0.00 O ATOM 0 H GLU B 5 4.874 4.521 -8.208 1.00 0.00 H new ATOM 0 HA GLU B 5 4.582 4.807 -11.124 1.00 0.00 H new ATOM 0 HB2 GLU B 5 6.439 3.012 -9.521 1.00 0.00 H new ATOM 0 HB3 GLU B 5 6.474 3.268 -11.254 1.00 0.00 H new ATOM 0 HG2 GLU B 5 6.935 5.737 -10.774 1.00 0.00 H new ATOM 0 HG3 GLU B 5 7.130 5.299 -9.089 1.00 0.00 H new ATOM 1056 N ILE B 6 2.960 2.889 -11.345 1.00 0.00 N ATOM 1057 CA ILE B 6 2.041 1.770 -11.569 1.00 0.00 C ATOM 1058 C ILE B 6 2.540 0.978 -12.768 1.00 0.00 C ATOM 1059 O ILE B 6 2.563 1.485 -13.890 1.00 0.00 O ATOM 1060 CB ILE B 6 0.587 2.253 -11.885 1.00 0.00 C ATOM 1061 CG1 ILE B 6 0.121 3.299 -10.829 1.00 0.00 C ATOM 1062 CG2 ILE B 6 -0.382 1.033 -11.968 1.00 0.00 C ATOM 1063 CD1 ILE B 6 -1.101 4.087 -11.240 1.00 0.00 C ATOM 0 H ILE B 6 2.833 3.660 -12.001 1.00 0.00 H new ATOM 0 HA ILE B 6 2.013 1.170 -10.659 1.00 0.00 H new ATOM 0 HB ILE B 6 0.576 2.746 -12.857 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -0.090 2.784 -9.892 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.939 3.993 -10.635 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -1.390 1.384 -12.188 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -0.051 0.359 -12.758 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -0.382 0.503 -11.015 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.361 4.793 -10.451 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -0.890 4.632 -12.160 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -1.935 3.405 -11.406 1.00 0.00 H new ATOM 1075 N TYR B 7 2.914 -0.255 -12.536 1.00 0.00 N ATOM 1076 CA TYR B 7 3.421 -1.129 -13.578 1.00 0.00 C ATOM 1077 C TYR B 7 2.861 -2.534 -13.374 1.00 0.00 C ATOM 1078 O TYR B 7 2.039 -2.769 -12.480 1.00 0.00 O ATOM 1079 CB TYR B 7 4.974 -1.102 -13.596 1.00 0.00 C ATOM 1080 CG TYR B 7 5.639 -1.613 -12.318 1.00 0.00 C ATOM 1081 CD1 TYR B 7 5.651 -0.841 -11.153 1.00 0.00 C ATOM 1082 CD2 TYR B 7 6.241 -2.868 -12.274 1.00 0.00 C ATOM 1083 CE1 TYR B 7 6.240 -1.310 -10.007 1.00 0.00 C ATOM 1084 CE2 TYR B 7 6.827 -3.334 -11.130 1.00 0.00 C ATOM 1085 CZ TYR B 7 6.827 -2.556 -10.002 1.00 0.00 C ATOM 1086 OH TYR B 7 7.423 -3.029 -8.861 1.00 0.00 O ATOM 0 H TYR B 7 2.877 -0.689 -11.614 1.00 0.00 H new ATOM 0 HA TYR B 7 3.091 -0.779 -14.556 1.00 0.00 H new ATOM 0 HB2 TYR B 7 5.324 -1.702 -14.436 1.00 0.00 H new ATOM 0 HB3 TYR B 7 5.304 -0.079 -13.776 1.00 0.00 H new ATOM 0 HD1 TYR B 7 5.191 0.136 -11.155 1.00 0.00 H new ATOM 0 HD2 TYR B 7 6.245 -3.485 -13.160 1.00 0.00 H new ATOM 0 HE1 TYR B 7 6.244 -0.705 -9.112 1.00 0.00 H new ATOM 0 HE2 TYR B 7 7.288 -4.311 -11.115 1.00 0.00 H new ATOM 0 HH TYR B 7 7.787 -3.923 -9.029 1.00 0.00 H new ATOM 1096 N GLN B 8 3.281 -3.448 -14.233 1.00 0.00 N ATOM 1097 CA GLN B 8 3.082 -4.881 -14.018 1.00 0.00 C ATOM 1098 C GLN B 8 4.451 -5.576 -14.038 1.00 0.00 C ATOM 1099 O GLN B 8 5.415 -5.080 -14.631 1.00 0.00 O ATOM 1100 CB GLN B 8 2.088 -5.511 -15.050 1.00 0.00 C ATOM 1101 CG GLN B 8 2.694 -5.985 -16.380 1.00 0.00 C ATOM 1102 CD GLN B 8 1.657 -6.462 -17.405 1.00 0.00 C ATOM 1103 OE1 GLN B 8 1.857 -6.325 -18.611 1.00 0.00 O ATOM 1104 NE2 GLN B 8 0.554 -7.044 -16.944 1.00 0.00 N ATOM 0 H GLN B 8 3.770 -3.223 -15.100 1.00 0.00 H new ATOM 0 HA GLN B 8 2.615 -5.029 -13.044 1.00 0.00 H new ATOM 0 HB2 GLN B 8 1.597 -6.361 -14.576 1.00 0.00 H new ATOM 0 HB3 GLN B 8 1.313 -4.777 -15.270 1.00 0.00 H new ATOM 0 HG2 GLN B 8 3.271 -5.169 -16.815 1.00 0.00 H new ATOM 0 HG3 GLN B 8 3.392 -6.798 -16.180 1.00 0.00 H new ATOM 0 HE21 GLN B 8 0.413 -7.145 -15.939 1.00 0.00 H new ATOM 0 HE22 GLN B 8 -0.151 -7.389 -17.595 1.00 0.00 H new ATOM 1113 N ASP B 9 4.506 -6.705 -13.359 1.00 0.00 N ATOM 1114 CA ASP B 9 5.655 -7.593 -13.304 1.00 0.00 C ATOM 1115 C ASP B 9 5.566 -8.566 -14.482 1.00 0.00 C ATOM 1116 O ASP B 9 4.472 -8.751 -15.035 1.00 0.00 O ATOM 1117 CB ASP B 9 5.611 -8.336 -11.938 1.00 0.00 C ATOM 1118 CG ASP B 9 6.746 -9.355 -11.723 1.00 0.00 C ATOM 1119 OD1 ASP B 9 7.859 -8.948 -11.341 1.00 0.00 O ATOM 1120 OD2 ASP B 9 6.532 -10.569 -11.943 1.00 0.00 O ATOM 0 H ASP B 9 3.719 -7.045 -12.807 1.00 0.00 H new ATOM 0 HA ASP B 9 6.599 -7.053 -13.380 1.00 0.00 H new ATOM 0 HB2 ASP B 9 5.647 -7.598 -11.137 1.00 0.00 H new ATOM 0 HB3 ASP B 9 4.655 -8.853 -11.852 1.00 0.00 H new ATOM 1125 N LYS B 10 6.719 -9.173 -14.832 1.00 0.00 N ATOM 1126 CA LYS B 10 6.873 -10.202 -15.897 1.00 0.00 C ATOM 1127 C LYS B 10 5.781 -11.302 -15.845 1.00 0.00 C ATOM 1128 O LYS B 10 5.340 -11.800 -16.875 1.00 0.00 O ATOM 1129 CB LYS B 10 8.316 -10.785 -15.848 1.00 0.00 C ATOM 1130 CG LYS B 10 8.753 -11.457 -14.509 1.00 0.00 C ATOM 1131 CD LYS B 10 8.501 -12.992 -14.439 1.00 0.00 C ATOM 1132 CE LYS B 10 9.479 -13.829 -15.298 1.00 0.00 C ATOM 1133 NZ LYS B 10 9.279 -13.665 -16.761 1.00 0.00 N ATOM 0 H LYS B 10 7.602 -8.957 -14.369 1.00 0.00 H new ATOM 0 HA LYS B 10 6.726 -9.717 -16.862 1.00 0.00 H new ATOM 0 HB2 LYS B 10 8.413 -11.521 -16.646 1.00 0.00 H new ATOM 0 HB3 LYS B 10 9.016 -9.980 -16.070 1.00 0.00 H new ATOM 0 HG2 LYS B 10 9.816 -11.270 -14.354 1.00 0.00 H new ATOM 0 HG3 LYS B 10 8.221 -10.977 -13.687 1.00 0.00 H new ATOM 0 HD2 LYS B 10 8.577 -13.316 -13.401 1.00 0.00 H new ATOM 0 HD3 LYS B 10 7.481 -13.198 -14.763 1.00 0.00 H new ATOM 0 HE2 LYS B 10 10.502 -13.548 -15.046 1.00 0.00 H new ATOM 0 HE3 LYS B 10 9.365 -14.882 -15.040 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 9.675 -14.487 -17.260 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 8.262 -13.592 -16.966 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 9.760 -12.801 -17.082 1.00 0.00 H new ATOM 1147 N ALA B 11 5.348 -11.639 -14.617 1.00 0.00 N ATOM 1148 CA ALA B 11 4.269 -12.625 -14.354 1.00 0.00 C ATOM 1149 C ALA B 11 2.856 -12.098 -14.750 1.00 0.00 C ATOM 1150 O ALA B 11 1.856 -12.787 -14.527 1.00 0.00 O ATOM 1151 CB ALA B 11 4.305 -13.017 -12.868 1.00 0.00 C ATOM 0 H ALA B 11 5.738 -11.233 -13.766 1.00 0.00 H new ATOM 0 HA ALA B 11 4.452 -13.498 -14.980 1.00 0.00 H new ATOM 0 HB1 ALA B 11 3.516 -13.741 -12.664 1.00 0.00 H new ATOM 0 HB2 ALA B 11 5.273 -13.458 -12.632 1.00 0.00 H new ATOM 0 HB3 ALA B 11 4.151 -12.130 -12.254 1.00 0.00 H new ATOM 1157 N GLY B 12 2.799 -10.892 -15.350 1.00 0.00 N ATOM 1158 CA GLY B 12 1.549 -10.202 -15.677 1.00 0.00 C ATOM 1159 C GLY B 12 0.781 -9.774 -14.440 1.00 0.00 C ATOM 1160 O GLY B 12 -0.449 -9.779 -14.432 1.00 0.00 O ATOM 0 H GLY B 12 3.632 -10.370 -15.621 1.00 0.00 H new ATOM 0 HA2 GLY B 12 1.770 -9.325 -16.285 1.00 0.00 H new ATOM 0 HA3 GLY B 12 0.922 -10.859 -16.281 1.00 0.00 H new ATOM 1164 N GLU B 13 1.525 -9.393 -13.389 1.00 0.00 N ATOM 1165 CA GLU B 13 0.945 -9.052 -12.066 1.00 0.00 C ATOM 1166 C GLU B 13 1.084 -7.557 -11.809 1.00 0.00 C ATOM 1167 O GLU B 13 2.176 -7.034 -11.898 1.00 0.00 O ATOM 1168 CB GLU B 13 1.646 -9.852 -10.934 1.00 0.00 C ATOM 1169 CG GLU B 13 1.338 -11.357 -10.938 1.00 0.00 C ATOM 1170 CD GLU B 13 1.884 -12.109 -9.714 1.00 0.00 C ATOM 1171 OE1 GLU B 13 1.509 -11.754 -8.566 1.00 0.00 O ATOM 1172 OE2 GLU B 13 2.655 -13.079 -9.882 1.00 0.00 O ATOM 0 H GLU B 13 2.541 -9.311 -13.425 1.00 0.00 H new ATOM 0 HA GLU B 13 -0.112 -9.320 -12.073 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.724 -9.714 -11.021 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.348 -9.435 -9.972 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.258 -11.496 -10.985 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.757 -11.801 -11.841 1.00 0.00 H new ATOM 1179 N TYR B 14 0.000 -6.880 -11.401 1.00 0.00 N ATOM 1180 CA TYR B 14 0.015 -5.413 -11.266 1.00 0.00 C ATOM 1181 C TYR B 14 0.582 -5.041 -9.889 1.00 0.00 C ATOM 1182 O TYR B 14 0.175 -5.589 -8.876 1.00 0.00 O ATOM 1183 CB TYR B 14 -1.386 -4.789 -11.494 1.00 0.00 C ATOM 1184 CG TYR B 14 -1.799 -4.760 -12.970 1.00 0.00 C ATOM 1185 CD1 TYR B 14 -1.465 -3.678 -13.791 1.00 0.00 C ATOM 1186 CD2 TYR B 14 -2.503 -5.818 -13.549 1.00 0.00 C ATOM 1187 CE1 TYR B 14 -1.825 -3.655 -15.121 1.00 0.00 C ATOM 1188 CE2 TYR B 14 -2.861 -5.794 -14.881 1.00 0.00 C ATOM 1189 CZ TYR B 14 -2.520 -4.715 -15.660 1.00 0.00 C ATOM 1190 OH TYR B 14 -2.886 -4.691 -16.984 1.00 0.00 O ATOM 0 H TYR B 14 -0.889 -7.318 -11.161 1.00 0.00 H new ATOM 0 HA TYR B 14 0.657 -4.999 -12.043 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -2.126 -5.355 -10.927 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -1.393 -3.772 -11.101 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -0.916 -2.846 -13.375 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -2.772 -6.670 -12.943 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -1.563 -2.809 -15.739 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -3.408 -6.621 -15.310 1.00 0.00 H new ATOM 0 HH TYR B 14 -3.368 -5.515 -17.205 1.00 0.00 H new ATOM 1200 N ARG B 15 1.581 -4.163 -9.896 1.00 0.00 N ATOM 1201 CA ARG B 15 2.199 -3.602 -8.685 1.00 0.00 C ATOM 1202 C ARG B 15 2.190 -2.084 -8.844 1.00 0.00 C ATOM 1203 O ARG B 15 2.546 -1.575 -9.909 1.00 0.00 O ATOM 1204 CB ARG B 15 3.684 -4.076 -8.478 1.00 0.00 C ATOM 1205 CG ARG B 15 3.926 -5.544 -8.023 1.00 0.00 C ATOM 1206 CD ARG B 15 3.580 -6.605 -9.082 1.00 0.00 C ATOM 1207 NE ARG B 15 4.251 -7.897 -8.828 1.00 0.00 N ATOM 1208 CZ ARG B 15 3.739 -8.950 -8.171 1.00 0.00 C ATOM 1209 NH1 ARG B 15 2.501 -8.936 -7.697 1.00 0.00 N ATOM 1210 NH2 ARG B 15 4.479 -10.034 -8.016 1.00 0.00 N ATOM 0 H ARG B 15 1.996 -3.811 -10.758 1.00 0.00 H new ATOM 0 HA ARG B 15 1.634 -3.942 -7.817 1.00 0.00 H new ATOM 0 HB2 ARG B 15 4.216 -3.926 -9.417 1.00 0.00 H new ATOM 0 HB3 ARG B 15 4.145 -3.418 -7.741 1.00 0.00 H new ATOM 0 HG2 ARG B 15 4.973 -5.656 -7.743 1.00 0.00 H new ATOM 0 HG3 ARG B 15 3.334 -5.736 -7.128 1.00 0.00 H new ATOM 0 HD2 ARG B 15 2.501 -6.757 -9.100 1.00 0.00 H new ATOM 0 HD3 ARG B 15 3.867 -6.238 -10.067 1.00 0.00 H new ATOM 0 HE ARG B 15 5.200 -7.999 -9.189 1.00 0.00 H new ATOM 0 HH11 ARG B 15 1.914 -8.112 -7.828 1.00 0.00 H new ATOM 0 HH12 ARG B 15 2.135 -9.749 -7.201 1.00 0.00 H new ATOM 0 HH21 ARG B 15 5.426 -10.063 -8.393 1.00 0.00 H new ATOM 0 HH22 ARG B 15 4.103 -10.841 -7.519 1.00 0.00 H new ATOM 1224 N PHE B 16 1.804 -1.361 -7.790 1.00 0.00 N ATOM 1225 CA PHE B 16 2.018 0.084 -7.718 1.00 0.00 C ATOM 1226 C PHE B 16 2.849 0.378 -6.475 1.00 0.00 C ATOM 1227 O PHE B 16 2.584 -0.158 -5.386 1.00 0.00 O ATOM 1228 CB PHE B 16 0.693 0.904 -7.772 1.00 0.00 C ATOM 1229 CG PHE B 16 -0.332 0.686 -6.648 1.00 0.00 C ATOM 1230 CD1 PHE B 16 -0.233 1.376 -5.433 1.00 0.00 C ATOM 1231 CD2 PHE B 16 -1.423 -0.163 -6.828 1.00 0.00 C ATOM 1232 CE1 PHE B 16 -1.182 1.209 -4.443 1.00 0.00 C ATOM 1233 CE2 PHE B 16 -2.374 -0.320 -5.838 1.00 0.00 C ATOM 1234 CZ PHE B 16 -2.253 0.365 -4.647 1.00 0.00 C ATOM 0 H PHE B 16 1.340 -1.756 -6.972 1.00 0.00 H new ATOM 0 HA PHE B 16 2.564 0.410 -8.604 1.00 0.00 H new ATOM 0 HB2 PHE B 16 0.955 1.962 -7.786 1.00 0.00 H new ATOM 0 HB3 PHE B 16 0.202 0.685 -8.720 1.00 0.00 H new ATOM 0 HD1 PHE B 16 0.596 2.048 -5.268 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -1.526 -0.706 -7.756 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -1.085 1.740 -3.508 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -3.214 -0.980 -5.997 1.00 0.00 H new ATOM 0 HZ PHE B 16 -2.997 0.240 -3.874 1.00 0.00 H new ATOM 1244 N ARG B 17 3.899 1.169 -6.667 1.00 0.00 N ATOM 1245 CA ARG B 17 4.831 1.556 -5.614 1.00 0.00 C ATOM 1246 C ARG B 17 4.687 3.051 -5.340 1.00 0.00 C ATOM 1247 O ARG B 17 4.103 3.788 -6.145 1.00 0.00 O ATOM 1248 CB ARG B 17 6.290 1.242 -6.047 1.00 0.00 C ATOM 1249 CG ARG B 17 6.564 -0.235 -6.402 1.00 0.00 C ATOM 1250 CD ARG B 17 8.035 -0.484 -6.791 1.00 0.00 C ATOM 1251 NE ARG B 17 8.472 0.375 -7.914 1.00 0.00 N ATOM 1252 CZ ARG B 17 9.283 -0.010 -8.918 1.00 0.00 C ATOM 1253 NH1 ARG B 17 9.739 -1.248 -8.989 1.00 0.00 N ATOM 1254 NH2 ARG B 17 9.607 0.847 -9.867 1.00 0.00 N ATOM 0 H ARG B 17 4.131 1.567 -7.577 1.00 0.00 H new ATOM 0 HA ARG B 17 4.604 0.992 -4.709 1.00 0.00 H new ATOM 0 HB2 ARG B 17 6.537 1.859 -6.911 1.00 0.00 H new ATOM 0 HB3 ARG B 17 6.963 1.537 -5.242 1.00 0.00 H new ATOM 0 HG2 ARG B 17 6.305 -0.864 -5.551 1.00 0.00 H new ATOM 0 HG3 ARG B 17 5.917 -0.533 -7.227 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.673 -0.301 -5.927 1.00 0.00 H new ATOM 0 HD3 ARG B 17 8.164 -1.531 -7.066 1.00 0.00 H new ATOM 0 HE ARG B 17 8.131 1.336 -7.929 1.00 0.00 H new ATOM 0 HH11 ARG B 17 9.478 -1.929 -8.276 1.00 0.00 H new ATOM 0 HH12 ARG B 17 10.352 -1.522 -9.756 1.00 0.00 H new ATOM 0 HH21 ARG B 17 9.243 1.800 -9.840 1.00 0.00 H new ATOM 0 HH22 ARG B 17 10.221 0.557 -10.628 1.00 0.00 H new ATOM 1268 N PHE B 18 5.243 3.484 -4.214 1.00 0.00 N ATOM 1269 CA PHE B 18 5.364 4.910 -3.883 1.00 0.00 C ATOM 1270 C PHE B 18 6.844 5.222 -3.665 1.00 0.00 C ATOM 1271 O PHE B 18 7.564 4.475 -2.984 1.00 0.00 O ATOM 1272 CB PHE B 18 4.521 5.262 -2.643 1.00 0.00 C ATOM 1273 CG PHE B 18 4.507 6.728 -2.246 1.00 0.00 C ATOM 1274 CD1 PHE B 18 4.352 7.725 -3.205 1.00 0.00 C ATOM 1275 CD2 PHE B 18 4.619 7.104 -0.913 1.00 0.00 C ATOM 1276 CE1 PHE B 18 4.319 9.043 -2.837 1.00 0.00 C ATOM 1277 CE2 PHE B 18 4.581 8.425 -0.546 1.00 0.00 C ATOM 1278 CZ PHE B 18 4.434 9.393 -1.509 1.00 0.00 C ATOM 0 H PHE B 18 5.624 2.861 -3.502 1.00 0.00 H new ATOM 0 HA PHE B 18 4.980 5.519 -4.701 1.00 0.00 H new ATOM 0 HB2 PHE B 18 3.494 4.944 -2.823 1.00 0.00 H new ATOM 0 HB3 PHE B 18 4.891 4.680 -1.799 1.00 0.00 H new ATOM 0 HD1 PHE B 18 4.257 7.457 -4.247 1.00 0.00 H new ATOM 0 HD2 PHE B 18 4.738 6.345 -0.154 1.00 0.00 H new ATOM 0 HE1 PHE B 18 4.203 9.810 -3.589 1.00 0.00 H new ATOM 0 HE2 PHE B 18 4.666 8.702 0.494 1.00 0.00 H new ATOM 0 HZ PHE B 18 4.408 10.434 -1.224 1.00 0.00 H new ATOM 1288 N LYS B 19 7.277 6.322 -4.285 1.00 0.00 N ATOM 1289 CA LYS B 19 8.671 6.747 -4.312 1.00 0.00 C ATOM 1290 C LYS B 19 8.936 7.816 -3.247 1.00 0.00 C ATOM 1291 O LYS B 19 8.033 8.209 -2.497 1.00 0.00 O ATOM 1292 CB LYS B 19 9.017 7.274 -5.735 1.00 0.00 C ATOM 1293 CG LYS B 19 8.886 6.217 -6.850 1.00 0.00 C ATOM 1294 CD LYS B 19 9.825 5.005 -6.634 1.00 0.00 C ATOM 1295 CE LYS B 19 11.318 5.387 -6.653 1.00 0.00 C ATOM 1296 NZ LYS B 19 12.198 4.202 -6.504 1.00 0.00 N ATOM 0 H LYS B 19 6.654 6.951 -4.791 1.00 0.00 H new ATOM 0 HA LYS B 19 9.312 5.896 -4.083 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.363 8.114 -5.968 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.038 7.656 -5.730 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.854 5.869 -6.896 1.00 0.00 H new ATOM 0 HG3 LYS B 19 9.110 6.679 -7.812 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.588 4.535 -5.679 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.636 4.263 -7.410 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.550 5.895 -7.589 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.522 6.093 -5.848 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 13.158 4.512 -6.251 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 11.825 3.585 -5.755 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 12.229 3.677 -7.401 1.00 0.00 H new ATOM 1310 N ALA B 20 10.191 8.286 -3.210 1.00 0.00 N ATOM 1311 CA ALA B 20 10.656 9.298 -2.260 1.00 0.00 C ATOM 1312 C ALA B 20 11.465 10.378 -2.995 1.00 0.00 C ATOM 1313 O ALA B 20 11.858 10.182 -4.152 1.00 0.00 O ATOM 1314 CB ALA B 20 11.473 8.632 -1.157 1.00 0.00 C ATOM 0 H ALA B 20 10.919 7.967 -3.849 1.00 0.00 H new ATOM 0 HA ALA B 20 9.800 9.787 -1.795 1.00 0.00 H new ATOM 0 HB1 ALA B 20 11.817 9.389 -0.452 1.00 0.00 H new ATOM 0 HB2 ALA B 20 10.853 7.904 -0.634 1.00 0.00 H new ATOM 0 HB3 ALA B 20 12.333 8.127 -1.596 1.00 0.00 H new ATOM 1320 N SER B 21 11.631 11.534 -2.329 1.00 0.00 N ATOM 1321 CA SER B 21 12.406 12.690 -2.829 1.00 0.00 C ATOM 1322 C SER B 21 13.854 12.328 -3.258 1.00 0.00 C ATOM 1323 O SER B 21 14.380 12.897 -4.222 1.00 0.00 O ATOM 1324 CB SER B 21 12.419 13.789 -1.748 1.00 0.00 C ATOM 1325 OG SER B 21 11.094 14.124 -1.347 1.00 0.00 O ATOM 0 H SER B 21 11.223 11.697 -1.409 1.00 0.00 H new ATOM 0 HA SER B 21 11.912 13.048 -3.733 1.00 0.00 H new ATOM 0 HB2 SER B 21 12.989 13.448 -0.884 1.00 0.00 H new ATOM 0 HB3 SER B 21 12.922 14.676 -2.132 1.00 0.00 H new ATOM 0 HG SER B 21 11.127 14.822 -0.660 1.00 0.00 H new ATOM 1331 N ASN B 22 14.478 11.365 -2.549 1.00 0.00 N ATOM 1332 CA ASN B 22 15.853 10.890 -2.848 1.00 0.00 C ATOM 1333 C ASN B 22 15.848 9.822 -3.976 1.00 0.00 C ATOM 1334 O ASN B 22 16.908 9.367 -4.407 1.00 0.00 O ATOM 1335 CB ASN B 22 16.509 10.280 -1.578 1.00 0.00 C ATOM 1336 CG ASN B 22 16.435 11.166 -0.328 1.00 0.00 C ATOM 1337 OD1 ASN B 22 16.540 12.389 -0.397 1.00 0.00 O ATOM 1338 ND2 ASN B 22 16.228 10.542 0.825 1.00 0.00 N ATOM 0 H ASN B 22 14.048 10.893 -1.754 1.00 0.00 H new ATOM 0 HA ASN B 22 16.429 11.754 -3.180 1.00 0.00 H new ATOM 0 HB2 ASN B 22 16.028 9.327 -1.360 1.00 0.00 H new ATOM 0 HB3 ASN B 22 17.556 10.067 -1.794 1.00 0.00 H new ATOM 0 HD21 ASN B 22 16.151 11.079 1.689 1.00 0.00 H new ATOM 0 HD22 ASN B 22 16.146 9.526 0.847 1.00 0.00 H new ATOM 1345 N GLY B 23 14.643 9.431 -4.424 1.00 0.00 N ATOM 1346 CA GLY B 23 14.459 8.426 -5.473 1.00 0.00 C ATOM 1347 C GLY B 23 14.585 7.000 -4.955 1.00 0.00 C ATOM 1348 O GLY B 23 15.279 6.176 -5.552 1.00 0.00 O ATOM 0 H GLY B 23 13.767 9.808 -4.063 1.00 0.00 H new ATOM 0 HA2 GLY B 23 13.477 8.557 -5.927 1.00 0.00 H new ATOM 0 HA3 GLY B 23 15.197 8.589 -6.259 1.00 0.00 H new ATOM 1352 N GLU B 24 13.902 6.717 -3.832 1.00 0.00 N ATOM 1353 CA GLU B 24 13.816 5.357 -3.251 1.00 0.00 C ATOM 1354 C GLU B 24 12.345 4.949 -3.114 1.00 0.00 C ATOM 1355 O GLU B 24 11.474 5.806 -3.012 1.00 0.00 O ATOM 1356 CB GLU B 24 14.516 5.289 -1.870 1.00 0.00 C ATOM 1357 CG GLU B 24 16.038 5.539 -1.898 1.00 0.00 C ATOM 1358 CD GLU B 24 16.816 4.516 -2.750 1.00 0.00 C ATOM 1359 OE1 GLU B 24 16.862 3.325 -2.375 1.00 0.00 O ATOM 1360 OE2 GLU B 24 17.383 4.896 -3.796 1.00 0.00 O ATOM 0 H GLU B 24 13.393 7.421 -3.298 1.00 0.00 H new ATOM 0 HA GLU B 24 14.328 4.665 -3.920 1.00 0.00 H new ATOM 0 HB2 GLU B 24 14.055 6.023 -1.209 1.00 0.00 H new ATOM 0 HB3 GLU B 24 14.332 4.307 -1.434 1.00 0.00 H new ATOM 0 HG2 GLU B 24 16.226 6.540 -2.286 1.00 0.00 H new ATOM 0 HG3 GLU B 24 16.421 5.515 -0.878 1.00 0.00 H new ATOM 1367 N THR B 25 12.080 3.643 -3.150 1.00 0.00 N ATOM 1368 CA THR B 25 10.736 3.084 -2.923 1.00 0.00 C ATOM 1369 C THR B 25 10.589 2.690 -1.445 1.00 0.00 C ATOM 1370 O THR B 25 11.543 2.235 -0.813 1.00 0.00 O ATOM 1371 CB THR B 25 10.486 1.855 -3.858 1.00 0.00 C ATOM 1372 OG1 THR B 25 10.505 2.273 -5.227 1.00 0.00 O ATOM 1373 CG2 THR B 25 9.158 1.131 -3.571 1.00 0.00 C ATOM 0 H THR B 25 12.790 2.936 -3.338 1.00 0.00 H new ATOM 0 HA THR B 25 9.987 3.839 -3.162 1.00 0.00 H new ATOM 0 HB THR B 25 11.290 1.147 -3.657 1.00 0.00 H new ATOM 0 HG1 THR B 25 11.217 1.798 -5.704 1.00 0.00 H new ATOM 0 HG21 THR B 25 9.047 0.289 -4.255 1.00 0.00 H new ATOM 0 HG22 THR B 25 9.157 0.767 -2.544 1.00 0.00 H new ATOM 0 HG23 THR B 25 8.328 1.824 -3.711 1.00 0.00 H new ATOM 1381 N MET B 26 9.377 2.883 -0.916 1.00 0.00 N ATOM 1382 CA MET B 26 9.063 2.648 0.501 1.00 0.00 C ATOM 1383 C MET B 26 7.940 1.601 0.667 1.00 0.00 C ATOM 1384 O MET B 26 7.919 0.884 1.668 1.00 0.00 O ATOM 1385 CB MET B 26 8.751 4.002 1.193 1.00 0.00 C ATOM 1386 CG MET B 26 7.854 4.951 0.386 1.00 0.00 C ATOM 1387 SD MET B 26 6.218 4.285 0.056 1.00 0.00 S ATOM 1388 CE MET B 26 5.608 4.084 1.717 1.00 0.00 C ATOM 0 H MET B 26 8.579 3.209 -1.461 1.00 0.00 H new ATOM 0 HA MET B 26 9.931 2.218 1.000 1.00 0.00 H new ATOM 0 HB2 MET B 26 8.273 3.801 2.152 1.00 0.00 H new ATOM 0 HB3 MET B 26 9.692 4.509 1.406 1.00 0.00 H new ATOM 0 HG2 MET B 26 7.752 5.891 0.929 1.00 0.00 H new ATOM 0 HG3 MET B 26 8.342 5.181 -0.561 1.00 0.00 H new ATOM 0 HE1 MET B 26 4.805 3.347 1.723 1.00 0.00 H new ATOM 0 HE2 MET B 26 6.417 3.745 2.363 1.00 0.00 H new ATOM 0 HE3 MET B 26 5.227 5.038 2.083 1.00 0.00 H new ATOM 1398 N PHE B 27 6.994 1.506 -0.299 1.00 0.00 N ATOM 1399 CA PHE B 27 6.050 0.362 -0.349 1.00 0.00 C ATOM 1400 C PHE B 27 5.860 -0.120 -1.782 1.00 0.00 C ATOM 1401 O PHE B 27 5.940 0.654 -2.739 1.00 0.00 O ATOM 1402 CB PHE B 27 4.659 0.636 0.343 1.00 0.00 C ATOM 1403 CG PHE B 27 3.532 1.306 -0.480 1.00 0.00 C ATOM 1404 CD1 PHE B 27 2.660 0.559 -1.281 1.00 0.00 C ATOM 1405 CD2 PHE B 27 3.321 2.670 -0.415 1.00 0.00 C ATOM 1406 CE1 PHE B 27 1.638 1.175 -1.983 1.00 0.00 C ATOM 1407 CE2 PHE B 27 2.313 3.288 -1.107 1.00 0.00 C ATOM 1408 CZ PHE B 27 1.465 2.547 -1.899 1.00 0.00 C ATOM 0 H PHE B 27 6.865 2.194 -1.041 1.00 0.00 H new ATOM 0 HA PHE B 27 6.516 -0.428 0.240 1.00 0.00 H new ATOM 0 HB2 PHE B 27 4.278 -0.318 0.707 1.00 0.00 H new ATOM 0 HB3 PHE B 27 4.843 1.260 1.218 1.00 0.00 H new ATOM 0 HD1 PHE B 27 2.786 -0.511 -1.352 1.00 0.00 H new ATOM 0 HD2 PHE B 27 3.973 3.270 0.203 1.00 0.00 H new ATOM 0 HE1 PHE B 27 0.974 0.585 -2.597 1.00 0.00 H new ATOM 0 HE2 PHE B 27 2.183 4.358 -1.031 1.00 0.00 H new ATOM 0 HZ PHE B 27 0.672 3.031 -2.450 1.00 0.00 H new ATOM 1418 N SER B 28 5.611 -1.419 -1.872 1.00 0.00 N ATOM 1419 CA SER B 28 5.188 -2.111 -3.077 1.00 0.00 C ATOM 1420 C SER B 28 3.866 -2.807 -2.739 1.00 0.00 C ATOM 1421 O SER B 28 3.758 -3.451 -1.682 1.00 0.00 O ATOM 1422 CB SER B 28 6.275 -3.118 -3.507 1.00 0.00 C ATOM 1423 OG SER B 28 7.512 -2.466 -3.768 1.00 0.00 O ATOM 0 H SER B 28 5.703 -2.044 -1.071 1.00 0.00 H new ATOM 0 HA SER B 28 5.044 -1.427 -3.914 1.00 0.00 H new ATOM 0 HB2 SER B 28 6.413 -3.863 -2.724 1.00 0.00 H new ATOM 0 HB3 SER B 28 5.947 -3.651 -4.400 1.00 0.00 H new ATOM 0 HG SER B 28 8.181 -3.130 -4.036 1.00 0.00 H new ATOM 1429 N SER B 29 2.858 -2.664 -3.606 1.00 0.00 N ATOM 1430 CA SER B 29 1.509 -3.183 -3.357 1.00 0.00 C ATOM 1431 C SER B 29 1.205 -4.315 -4.342 1.00 0.00 C ATOM 1432 O SER B 29 1.890 -4.466 -5.363 1.00 0.00 O ATOM 1433 CB SER B 29 0.477 -2.043 -3.498 1.00 0.00 C ATOM 1434 OG SER B 29 -0.842 -2.504 -3.253 1.00 0.00 O ATOM 0 H SER B 29 2.955 -2.185 -4.501 1.00 0.00 H new ATOM 0 HA SER B 29 1.450 -3.578 -2.343 1.00 0.00 H new ATOM 0 HB2 SER B 29 0.720 -1.242 -2.799 1.00 0.00 H new ATOM 0 HB3 SER B 29 0.535 -1.620 -4.501 1.00 0.00 H new ATOM 0 HG SER B 29 -1.479 -1.956 -3.757 1.00 0.00 H new ATOM 1440 N GLU B 30 0.154 -5.086 -4.034 1.00 0.00 N ATOM 1441 CA GLU B 30 -0.314 -6.207 -4.875 1.00 0.00 C ATOM 1442 C GLU B 30 -1.123 -5.705 -6.099 1.00 0.00 C ATOM 1443 O GLU B 30 -1.662 -6.515 -6.856 1.00 0.00 O ATOM 1444 CB GLU B 30 -1.181 -7.180 -4.023 1.00 0.00 C ATOM 1445 CG GLU B 30 -2.486 -6.547 -3.488 1.00 0.00 C ATOM 1446 CD GLU B 30 -3.418 -7.565 -2.818 1.00 0.00 C ATOM 1447 OE1 GLU B 30 -4.261 -8.174 -3.521 1.00 0.00 O ATOM 1448 OE2 GLU B 30 -3.320 -7.758 -1.590 1.00 0.00 O ATOM 0 H GLU B 30 -0.402 -4.952 -3.190 1.00 0.00 H new ATOM 0 HA GLU B 30 0.563 -6.734 -5.252 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -1.432 -8.052 -4.627 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -0.589 -7.536 -3.180 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -2.236 -5.765 -2.771 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -3.014 -6.067 -4.312 1.00 0.00 H new ATOM 1455 N GLY B 31 -1.245 -4.364 -6.256 1.00 0.00 N ATOM 1456 CA GLY B 31 -1.939 -3.755 -7.411 1.00 0.00 C ATOM 1457 C GLY B 31 -3.459 -3.738 -7.282 1.00 0.00 C ATOM 1458 O GLY B 31 -4.146 -3.177 -8.147 1.00 0.00 O ATOM 0 H GLY B 31 -0.870 -3.685 -5.594 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -1.584 -2.732 -7.537 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -1.667 -4.301 -8.314 1.00 0.00 H new ATOM 1462 N TYR B 32 -3.949 -4.405 -6.212 1.00 0.00 N ATOM 1463 CA TYR B 32 -5.359 -4.506 -5.811 1.00 0.00 C ATOM 1464 C TYR B 32 -6.124 -5.538 -6.677 1.00 0.00 C ATOM 1465 O TYR B 32 -6.791 -6.430 -6.129 1.00 0.00 O ATOM 1466 CB TYR B 32 -6.063 -3.112 -5.770 1.00 0.00 C ATOM 1467 CG TYR B 32 -7.377 -3.088 -4.979 1.00 0.00 C ATOM 1468 CD1 TYR B 32 -7.488 -3.756 -3.753 1.00 0.00 C ATOM 1469 CD2 TYR B 32 -8.495 -2.395 -5.444 1.00 0.00 C ATOM 1470 CE1 TYR B 32 -8.659 -3.733 -3.035 1.00 0.00 C ATOM 1471 CE2 TYR B 32 -9.664 -2.368 -4.722 1.00 0.00 C ATOM 1472 CZ TYR B 32 -9.740 -3.038 -3.523 1.00 0.00 C ATOM 1473 OH TYR B 32 -10.900 -2.997 -2.802 1.00 0.00 O ATOM 0 H TYR B 32 -3.334 -4.912 -5.576 1.00 0.00 H new ATOM 0 HA TYR B 32 -5.378 -4.881 -4.788 1.00 0.00 H new ATOM 0 HB2 TYR B 32 -5.378 -2.385 -5.334 1.00 0.00 H new ATOM 0 HB3 TYR B 32 -6.262 -2.789 -6.792 1.00 0.00 H new ATOM 0 HD1 TYR B 32 -6.638 -4.299 -3.365 1.00 0.00 H new ATOM 0 HD2 TYR B 32 -8.441 -1.871 -6.387 1.00 0.00 H new ATOM 0 HE1 TYR B 32 -8.730 -4.257 -2.094 1.00 0.00 H new ATOM 0 HE2 TYR B 32 -10.519 -1.823 -5.094 1.00 0.00 H new ATOM 0 HH TYR B 32 -10.702 -2.740 -1.877 1.00 0.00 H new ATOM 1483 N LYS B 33 -6.025 -5.412 -8.017 1.00 0.00 N ATOM 1484 CA LYS B 33 -6.604 -6.378 -8.979 1.00 0.00 C ATOM 1485 C LYS B 33 -6.012 -6.154 -10.386 1.00 0.00 C ATOM 1486 O LYS B 33 -5.422 -7.061 -10.974 1.00 0.00 O ATOM 1487 CB LYS B 33 -8.160 -6.259 -9.014 1.00 0.00 C ATOM 1488 CG LYS B 33 -8.868 -7.156 -10.058 1.00 0.00 C ATOM 1489 CD LYS B 33 -8.625 -8.665 -9.828 1.00 0.00 C ATOM 1490 CE LYS B 33 -9.272 -9.537 -10.912 1.00 0.00 C ATOM 1491 NZ LYS B 33 -10.740 -9.330 -10.994 1.00 0.00 N ATOM 0 H LYS B 33 -5.540 -4.635 -8.465 1.00 0.00 H new ATOM 0 HA LYS B 33 -6.348 -7.385 -8.651 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -8.549 -6.503 -8.026 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.424 -5.220 -9.213 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -9.940 -6.959 -10.030 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -8.520 -6.886 -11.055 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -7.552 -8.857 -9.804 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -9.022 -8.949 -8.853 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -8.820 -9.309 -11.877 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -9.066 -10.587 -10.703 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -11.152 -10.021 -11.653 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -11.162 -9.457 -10.052 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -10.936 -8.367 -11.334 1.00 0.00 H new ATOM 1505 N ALA B 34 -6.183 -4.933 -10.900 1.00 0.00 N ATOM 1506 CA ALA B 34 -5.799 -4.557 -12.279 1.00 0.00 C ATOM 1507 C ALA B 34 -5.323 -3.101 -12.275 1.00 0.00 C ATOM 1508 O ALA B 34 -5.146 -2.533 -11.196 1.00 0.00 O ATOM 1509 CB ALA B 34 -6.994 -4.764 -13.230 1.00 0.00 C ATOM 0 H ALA B 34 -6.595 -4.164 -10.372 1.00 0.00 H new ATOM 0 HA ALA B 34 -4.985 -5.189 -12.636 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -6.705 -4.485 -14.243 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -7.295 -5.811 -13.213 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -7.828 -4.142 -12.907 1.00 0.00 H new ATOM 1515 N LYS B 35 -5.120 -2.485 -13.464 1.00 0.00 N ATOM 1516 CA LYS B 35 -4.730 -1.064 -13.577 1.00 0.00 C ATOM 1517 C LYS B 35 -5.857 -0.154 -13.060 1.00 0.00 C ATOM 1518 O LYS B 35 -5.610 0.755 -12.274 1.00 0.00 O ATOM 1519 CB LYS B 35 -4.422 -0.714 -15.054 1.00 0.00 C ATOM 1520 CG LYS B 35 -4.033 0.762 -15.311 1.00 0.00 C ATOM 1521 CD LYS B 35 -4.195 1.203 -16.785 1.00 0.00 C ATOM 1522 CE LYS B 35 -3.397 0.337 -17.767 1.00 0.00 C ATOM 1523 NZ LYS B 35 -1.939 0.415 -17.522 1.00 0.00 N ATOM 0 H LYS B 35 -5.221 -2.956 -14.363 1.00 0.00 H new ATOM 0 HA LYS B 35 -3.838 -0.903 -12.972 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -3.610 -1.353 -15.401 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -5.297 -0.954 -15.658 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -4.646 1.405 -14.680 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -2.997 0.913 -15.008 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -5.251 1.167 -17.054 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -3.876 2.241 -16.884 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -3.723 -0.700 -17.683 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -3.610 0.656 -18.787 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -1.435 -0.131 -18.250 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -1.633 1.408 -17.561 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -1.723 0.023 -16.583 1.00 0.00 H new ATOM 1537 N ALA B 36 -7.100 -0.421 -13.510 1.00 0.00 N ATOM 1538 CA ALA B 36 -8.292 0.347 -13.085 1.00 0.00 C ATOM 1539 C ALA B 36 -8.412 0.359 -11.554 1.00 0.00 C ATOM 1540 O ALA B 36 -8.609 1.409 -10.947 1.00 0.00 O ATOM 1541 CB ALA B 36 -9.565 -0.236 -13.713 1.00 0.00 C ATOM 0 H ALA B 36 -7.307 -1.168 -14.173 1.00 0.00 H new ATOM 0 HA ALA B 36 -8.174 1.374 -13.431 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -10.429 0.343 -13.388 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -9.487 -0.193 -14.799 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -9.684 -1.273 -13.399 1.00 0.00 H new ATOM 1547 N SER B 37 -8.200 -0.818 -10.956 1.00 0.00 N ATOM 1548 CA SER B 37 -8.253 -1.015 -9.503 1.00 0.00 C ATOM 1549 C SER B 37 -7.032 -0.376 -8.814 1.00 0.00 C ATOM 1550 O SER B 37 -7.123 0.033 -7.659 1.00 0.00 O ATOM 1551 CB SER B 37 -8.300 -2.522 -9.188 1.00 0.00 C ATOM 1552 OG SER B 37 -9.251 -3.186 -10.004 1.00 0.00 O ATOM 0 H SER B 37 -7.984 -1.670 -11.473 1.00 0.00 H new ATOM 0 HA SER B 37 -9.152 -0.531 -9.122 1.00 0.00 H new ATOM 0 HB2 SER B 37 -7.314 -2.960 -9.344 1.00 0.00 H new ATOM 0 HB3 SER B 37 -8.552 -2.669 -8.138 1.00 0.00 H new ATOM 0 HG SER B 37 -9.930 -3.609 -9.437 1.00 0.00 H new ATOM 1558 N ALA B 38 -5.895 -0.309 -9.551 1.00 0.00 N ATOM 1559 CA ALA B 38 -4.635 0.268 -9.055 1.00 0.00 C ATOM 1560 C ALA B 38 -4.783 1.777 -8.819 1.00 0.00 C ATOM 1561 O ALA B 38 -4.530 2.244 -7.711 1.00 0.00 O ATOM 1562 CB ALA B 38 -3.465 -0.022 -10.024 1.00 0.00 C ATOM 0 H ALA B 38 -5.833 -0.657 -10.508 1.00 0.00 H new ATOM 0 HA ALA B 38 -4.404 -0.207 -8.102 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.549 0.417 -9.630 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -3.336 -1.099 -10.127 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -3.685 0.412 -11.000 1.00 0.00 H new ATOM 1568 N ILE B 39 -5.202 2.533 -9.865 1.00 0.00 N ATOM 1569 CA ILE B 39 -5.440 3.992 -9.759 1.00 0.00 C ATOM 1570 C ILE B 39 -6.524 4.290 -8.707 1.00 0.00 C ATOM 1571 O ILE B 39 -6.314 5.148 -7.859 1.00 0.00 O ATOM 1572 CB ILE B 39 -5.838 4.679 -11.141 1.00 0.00 C ATOM 1573 CG1 ILE B 39 -4.625 4.733 -12.140 1.00 0.00 C ATOM 1574 CG2 ILE B 39 -6.413 6.114 -10.928 1.00 0.00 C ATOM 1575 CD1 ILE B 39 -4.245 3.421 -12.797 1.00 0.00 C ATOM 0 H ILE B 39 -5.382 2.153 -10.794 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.487 4.424 -9.452 1.00 0.00 H new ATOM 0 HB ILE B 39 -6.617 4.055 -11.580 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -4.857 5.455 -12.923 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -3.755 5.113 -11.604 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -6.672 6.549 -11.893 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -7.304 6.060 -10.303 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -5.664 6.737 -10.439 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -3.397 3.580 -13.464 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -3.973 2.696 -12.030 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -5.091 3.043 -13.370 1.00 0.00 H new ATOM 1587 N HIS B 40 -7.664 3.561 -8.769 1.00 0.00 N ATOM 1588 CA HIS B 40 -8.810 3.766 -7.841 1.00 0.00 C ATOM 1589 C HIS B 40 -8.366 3.578 -6.379 1.00 0.00 C ATOM 1590 O HIS B 40 -8.756 4.364 -5.478 1.00 0.00 O ATOM 1591 CB HIS B 40 -10.001 2.824 -8.189 1.00 0.00 C ATOM 1592 CG HIS B 40 -10.669 3.106 -9.517 1.00 0.00 C ATOM 1593 ND1 HIS B 40 -11.810 2.453 -9.932 1.00 0.00 N ATOM 1594 CD2 HIS B 40 -10.343 3.947 -10.533 1.00 0.00 C ATOM 1595 CE1 HIS B 40 -12.151 2.881 -11.128 1.00 0.00 C ATOM 1596 NE2 HIS B 40 -11.280 3.791 -11.515 1.00 0.00 N ATOM 0 H HIS B 40 -7.818 2.821 -9.454 1.00 0.00 H new ATOM 0 HA HIS B 40 -9.158 4.792 -7.963 1.00 0.00 H new ATOM 0 HB2 HIS B 40 -9.643 1.795 -8.190 1.00 0.00 H new ATOM 0 HB3 HIS B 40 -10.748 2.900 -7.399 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -9.497 4.617 -10.560 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -13.003 2.543 -11.698 1.00 0.00 H new ATOM 0 HE2 HIS B 40 -11.302 4.296 -12.401 1.00 0.00 H new ATOM 1605 N ALA B 41 -7.489 2.576 -6.155 1.00 0.00 N ATOM 1606 CA ALA B 41 -6.861 2.354 -4.858 1.00 0.00 C ATOM 1607 C ALA B 41 -6.077 3.611 -4.474 1.00 0.00 C ATOM 1608 O ALA B 41 -6.375 4.235 -3.467 1.00 0.00 O ATOM 1609 CB ALA B 41 -5.950 1.110 -4.893 1.00 0.00 C ATOM 0 H ALA B 41 -7.205 1.908 -6.871 1.00 0.00 H new ATOM 0 HA ALA B 41 -7.626 2.164 -4.105 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -5.493 0.966 -3.914 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -6.543 0.232 -5.150 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -5.169 1.252 -5.640 1.00 0.00 H new ATOM 1615 N ILE B 42 -5.153 4.028 -5.347 1.00 0.00 N ATOM 1616 CA ILE B 42 -4.318 5.231 -5.142 1.00 0.00 C ATOM 1617 C ILE B 42 -5.182 6.510 -4.942 1.00 0.00 C ATOM 1618 O ILE B 42 -4.759 7.444 -4.267 1.00 0.00 O ATOM 1619 CB ILE B 42 -3.317 5.413 -6.337 1.00 0.00 C ATOM 1620 CG1 ILE B 42 -2.372 4.178 -6.424 1.00 0.00 C ATOM 1621 CG2 ILE B 42 -2.502 6.725 -6.227 1.00 0.00 C ATOM 1622 CD1 ILE B 42 -1.549 4.109 -7.684 1.00 0.00 C ATOM 0 H ILE B 42 -4.958 3.542 -6.222 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.746 5.084 -4.226 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.902 5.486 -7.254 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.700 4.190 -5.566 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.972 3.271 -6.347 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -1.824 6.805 -7.077 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.182 7.577 -6.224 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.925 6.719 -5.302 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -0.921 3.219 -7.660 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.211 4.063 -8.549 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -0.919 4.996 -7.756 1.00 0.00 H new ATOM 1634 N GLU B 43 -6.422 6.502 -5.465 1.00 0.00 N ATOM 1635 CA GLU B 43 -7.353 7.636 -5.325 1.00 0.00 C ATOM 1636 C GLU B 43 -7.779 7.813 -3.866 1.00 0.00 C ATOM 1637 O GLU B 43 -8.094 8.932 -3.453 1.00 0.00 O ATOM 1638 CB GLU B 43 -8.579 7.508 -6.265 1.00 0.00 C ATOM 1639 CG GLU B 43 -8.246 7.700 -7.756 1.00 0.00 C ATOM 1640 CD GLU B 43 -9.483 7.741 -8.660 1.00 0.00 C ATOM 1641 OE1 GLU B 43 -10.043 6.675 -8.966 1.00 0.00 O ATOM 1642 OE2 GLU B 43 -9.906 8.838 -9.076 1.00 0.00 O ATOM 0 H GLU B 43 -6.804 5.717 -5.992 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.819 8.535 -5.633 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -9.029 6.525 -6.127 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -9.327 8.245 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.686 8.627 -7.878 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.595 6.889 -8.082 1.00 0.00 H new ATOM 1649 N SER B 44 -7.783 6.705 -3.092 1.00 0.00 N ATOM 1650 CA SER B 44 -7.869 6.773 -1.608 1.00 0.00 C ATOM 1651 C SER B 44 -6.755 7.644 -1.005 1.00 0.00 C ATOM 1652 O SER B 44 -7.012 8.449 -0.096 1.00 0.00 O ATOM 1653 CB SER B 44 -7.767 5.370 -0.982 1.00 0.00 C ATOM 1654 OG SER B 44 -8.969 4.637 -1.150 1.00 0.00 O ATOM 0 H SER B 44 -7.728 5.757 -3.463 1.00 0.00 H new ATOM 0 HA SER B 44 -8.838 7.219 -1.381 1.00 0.00 H new ATOM 0 HB2 SER B 44 -6.941 4.826 -1.439 1.00 0.00 H new ATOM 0 HB3 SER B 44 -7.540 5.460 0.080 1.00 0.00 H new ATOM 0 HG SER B 44 -9.332 4.398 -0.272 1.00 0.00 H new ATOM 1660 N ILE B 45 -5.517 7.465 -1.524 1.00 0.00 N ATOM 1661 CA ILE B 45 -4.327 8.095 -0.942 1.00 0.00 C ATOM 1662 C ILE B 45 -4.423 9.617 -1.121 1.00 0.00 C ATOM 1663 O ILE B 45 -4.127 10.393 -0.206 1.00 0.00 O ATOM 1664 CB ILE B 45 -2.944 7.586 -1.556 1.00 0.00 C ATOM 1665 CG1 ILE B 45 -2.949 6.062 -1.901 1.00 0.00 C ATOM 1666 CG2 ILE B 45 -1.814 7.868 -0.554 1.00 0.00 C ATOM 1667 CD1 ILE B 45 -2.918 5.126 -0.711 1.00 0.00 C ATOM 0 H ILE B 45 -5.325 6.889 -2.344 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.318 7.810 0.110 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.791 8.127 -2.490 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -3.839 5.843 -2.491 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -2.087 5.847 -2.533 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.866 7.523 -0.967 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.757 8.939 -0.362 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -2.016 7.342 0.379 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -2.924 4.093 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -2.014 5.307 -0.129 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -3.793 5.303 -0.086 1.00 0.00 H new ATOM 1679 N LYS B 46 -4.898 10.018 -2.316 1.00 0.00 N ATOM 1680 CA LYS B 46 -4.964 11.432 -2.756 1.00 0.00 C ATOM 1681 C LYS B 46 -5.873 12.303 -1.878 1.00 0.00 C ATOM 1682 O LYS B 46 -5.732 13.526 -1.843 1.00 0.00 O ATOM 1683 CB LYS B 46 -5.429 11.533 -4.249 1.00 0.00 C ATOM 1684 CG LYS B 46 -4.855 10.472 -5.233 1.00 0.00 C ATOM 1685 CD LYS B 46 -3.359 10.145 -5.020 1.00 0.00 C ATOM 1686 CE LYS B 46 -2.440 11.343 -5.165 1.00 0.00 C ATOM 1687 NZ LYS B 46 -2.426 11.858 -6.547 1.00 0.00 N ATOM 0 H LYS B 46 -5.252 9.364 -3.014 1.00 0.00 H new ATOM 0 HA LYS B 46 -3.950 11.819 -2.655 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -6.517 11.465 -4.272 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -5.163 12.522 -4.622 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -5.433 9.553 -5.134 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -4.995 10.828 -6.254 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -3.229 9.718 -4.026 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -3.059 9.381 -5.737 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -2.762 12.133 -4.486 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -1.428 11.063 -4.871 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -1.493 12.268 -6.755 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -2.617 11.080 -7.210 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -3.157 12.590 -6.652 1.00 0.00 H new ATOM 1701 N ARG B 47 -6.788 11.649 -1.184 1.00 0.00 N ATOM 1702 CA ARG B 47 -7.846 12.324 -0.406 1.00 0.00 C ATOM 1703 C ARG B 47 -7.302 12.912 0.920 1.00 0.00 C ATOM 1704 O ARG B 47 -7.262 14.138 1.092 1.00 0.00 O ATOM 1705 CB ARG B 47 -9.016 11.334 -0.143 1.00 0.00 C ATOM 1706 CG ARG B 47 -9.697 10.782 -1.404 1.00 0.00 C ATOM 1707 CD ARG B 47 -10.429 11.861 -2.207 1.00 0.00 C ATOM 1708 NE ARG B 47 -11.507 12.486 -1.427 1.00 0.00 N ATOM 1709 CZ ARG B 47 -12.345 13.427 -1.874 1.00 0.00 C ATOM 1710 NH1 ARG B 47 -12.271 13.876 -3.120 1.00 0.00 N ATOM 1711 NH2 ARG B 47 -13.236 13.940 -1.049 1.00 0.00 N ATOM 0 H ARG B 47 -6.830 10.631 -1.135 1.00 0.00 H new ATOM 0 HA ARG B 47 -8.217 13.165 -0.992 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -8.638 10.496 0.443 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -9.767 11.837 0.466 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -8.947 10.310 -2.039 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -10.406 10.006 -1.117 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -9.718 12.625 -2.521 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -10.845 11.420 -3.113 1.00 0.00 H new ATOM 0 HE ARG B 47 -11.626 12.175 -0.463 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -11.566 13.503 -3.756 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -12.919 14.594 -3.443 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -13.280 13.618 -0.082 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -13.881 14.659 -1.378 1.00 0.00 H new ATOM 1725 N ASN B 48 -6.865 12.034 1.841 1.00 0.00 N ATOM 1726 CA ASN B 48 -6.529 12.424 3.242 1.00 0.00 C ATOM 1727 C ASN B 48 -5.454 11.503 3.852 1.00 0.00 C ATOM 1728 O ASN B 48 -5.252 11.538 5.061 1.00 0.00 O ATOM 1729 CB ASN B 48 -7.799 12.436 4.165 1.00 0.00 C ATOM 1730 CG ASN B 48 -8.767 13.596 3.928 1.00 0.00 C ATOM 1731 OD1 ASN B 48 -9.659 13.517 3.092 1.00 0.00 O ATOM 1732 ND2 ASN B 48 -8.597 14.689 4.666 1.00 0.00 N ATOM 0 H ASN B 48 -6.732 11.041 1.648 1.00 0.00 H new ATOM 0 HA ASN B 48 -6.129 13.436 3.188 1.00 0.00 H new ATOM 0 HB2 ASN B 48 -8.339 11.499 4.025 1.00 0.00 H new ATOM 0 HB3 ASN B 48 -7.472 12.463 5.205 1.00 0.00 H new ATOM 0 HD21 ASN B 48 -9.218 15.489 4.543 1.00 0.00 H new ATOM 0 HD22 ASN B 48 -7.846 14.727 5.355 1.00 0.00 H new ATOM 1739 N SER B 49 -4.747 10.712 3.026 1.00 0.00 N ATOM 1740 CA SER B 49 -3.793 9.691 3.520 1.00 0.00 C ATOM 1741 C SER B 49 -2.562 10.312 4.212 1.00 0.00 C ATOM 1742 O SER B 49 -2.015 9.732 5.163 1.00 0.00 O ATOM 1743 CB SER B 49 -3.341 8.793 2.375 1.00 0.00 C ATOM 1744 OG SER B 49 -2.587 7.684 2.820 1.00 0.00 O ATOM 0 H SER B 49 -4.815 10.757 2.009 1.00 0.00 H new ATOM 0 HA SER B 49 -4.323 9.101 4.268 1.00 0.00 H new ATOM 0 HB2 SER B 49 -4.215 8.438 1.830 1.00 0.00 H new ATOM 0 HB3 SER B 49 -2.744 9.376 1.674 1.00 0.00 H new ATOM 0 HG SER B 49 -3.193 6.983 3.138 1.00 0.00 H new ATOM 1750 N ALA B 50 -2.131 11.492 3.723 1.00 0.00 N ATOM 1751 CA ALA B 50 -1.077 12.290 4.373 1.00 0.00 C ATOM 1752 C ALA B 50 -1.478 12.726 5.807 1.00 0.00 C ATOM 1753 O ALA B 50 -0.614 12.945 6.667 1.00 0.00 O ATOM 1754 CB ALA B 50 -0.710 13.499 3.495 1.00 0.00 C ATOM 0 H ALA B 50 -2.502 11.915 2.872 1.00 0.00 H new ATOM 0 HA ALA B 50 -0.194 11.660 4.478 1.00 0.00 H new ATOM 0 HB1 ALA B 50 0.070 14.081 3.985 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -0.348 13.150 2.528 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -1.591 14.123 3.349 1.00 0.00 H new ATOM 1760 N GLY B 51 -2.797 12.837 6.046 1.00 0.00 N ATOM 1761 CA GLY B 51 -3.340 13.136 7.376 1.00 0.00 C ATOM 1762 C GLY B 51 -3.973 11.931 8.070 1.00 0.00 C ATOM 1763 O GLY B 51 -4.400 12.051 9.217 1.00 0.00 O ATOM 0 H GLY B 51 -3.510 12.722 5.325 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -2.540 13.527 8.005 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -4.087 13.924 7.284 1.00 0.00 H new ATOM 1767 N ALA B 52 -4.047 10.776 7.368 1.00 0.00 N ATOM 1768 CA ALA B 52 -4.630 9.519 7.902 1.00 0.00 C ATOM 1769 C ALA B 52 -3.804 9.002 9.080 1.00 0.00 C ATOM 1770 O ALA B 52 -2.594 9.053 9.029 1.00 0.00 O ATOM 1771 CB ALA B 52 -4.701 8.453 6.799 1.00 0.00 C ATOM 0 H ALA B 52 -3.703 10.688 6.412 1.00 0.00 H new ATOM 0 HA ALA B 52 -5.640 9.731 8.252 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -5.130 7.537 7.205 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -5.325 8.815 5.982 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -3.698 8.249 6.425 1.00 0.00 H new ATOM 1777 N ASP B 53 -4.461 8.498 10.132 1.00 0.00 N ATOM 1778 CA ASP B 53 -3.763 7.990 11.337 1.00 0.00 C ATOM 1779 C ASP B 53 -2.961 6.706 11.001 1.00 0.00 C ATOM 1780 O ASP B 53 -3.268 6.018 10.035 1.00 0.00 O ATOM 1781 CB ASP B 53 -4.781 7.749 12.483 1.00 0.00 C ATOM 1782 CG ASP B 53 -4.123 7.411 13.835 1.00 0.00 C ATOM 1783 OD1 ASP B 53 -3.791 8.338 14.601 1.00 0.00 O ATOM 1784 OD2 ASP B 53 -3.922 6.220 14.143 1.00 0.00 O ATOM 0 H ASP B 53 -5.477 8.428 10.180 1.00 0.00 H new ATOM 0 HA ASP B 53 -3.049 8.740 11.678 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -5.398 8.639 12.602 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -5.448 6.934 12.200 1.00 0.00 H new ATOM 1789 N THR B 54 -1.902 6.430 11.765 1.00 0.00 N ATOM 1790 CA THR B 54 -1.067 5.224 11.582 1.00 0.00 C ATOM 1791 C THR B 54 -1.181 4.316 12.823 1.00 0.00 C ATOM 1792 O THR B 54 -0.570 4.577 13.866 1.00 0.00 O ATOM 1793 CB THR B 54 0.421 5.629 11.292 1.00 0.00 C ATOM 1794 OG1 THR B 54 0.463 6.504 10.150 1.00 0.00 O ATOM 1795 CG2 THR B 54 1.338 4.421 11.014 1.00 0.00 C ATOM 0 H THR B 54 -1.593 7.031 12.529 1.00 0.00 H new ATOM 0 HA THR B 54 -1.426 4.662 10.720 1.00 0.00 H new ATOM 0 HB THR B 54 0.790 6.123 12.191 1.00 0.00 H new ATOM 0 HG1 THR B 54 -0.126 6.155 9.449 1.00 0.00 H new ATOM 0 HG21 THR B 54 2.352 4.771 10.821 1.00 0.00 H new ATOM 0 HG22 THR B 54 1.341 3.759 11.880 1.00 0.00 H new ATOM 0 HG23 THR B 54 0.970 3.878 10.144 1.00 0.00 H new ATOM 1803 N VAL B 55 -2.015 3.270 12.702 1.00 0.00 N ATOM 1804 CA VAL B 55 -2.296 2.308 13.789 1.00 0.00 C ATOM 1805 C VAL B 55 -1.452 1.039 13.589 1.00 0.00 C ATOM 1806 O VAL B 55 -1.484 0.449 12.503 1.00 0.00 O ATOM 1807 CB VAL B 55 -3.816 1.888 13.824 1.00 0.00 C ATOM 1808 CG1 VAL B 55 -4.129 0.970 15.033 1.00 0.00 C ATOM 1809 CG2 VAL B 55 -4.742 3.122 13.793 1.00 0.00 C ATOM 0 H VAL B 55 -2.520 3.063 11.840 1.00 0.00 H new ATOM 0 HA VAL B 55 -2.046 2.800 14.729 1.00 0.00 H new ATOM 0 HB VAL B 55 -4.014 1.309 12.922 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -5.186 0.702 15.023 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -3.525 0.065 14.969 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -3.897 1.496 15.959 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -5.782 2.797 13.818 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -4.538 3.752 14.659 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -4.561 3.690 12.880 1.00 0.00 H new ATOM 1819 N ASP B 56 -0.720 0.636 14.636 1.00 0.00 N ATOM 1820 CA ASP B 56 0.025 -0.631 14.686 1.00 0.00 C ATOM 1821 C ASP B 56 -0.736 -1.650 15.561 1.00 0.00 C ATOM 1822 O ASP B 56 -0.883 -1.465 16.775 1.00 0.00 O ATOM 1823 CB ASP B 56 1.464 -0.395 15.217 1.00 0.00 C ATOM 1824 CG ASP B 56 2.146 -1.690 15.694 1.00 0.00 C ATOM 1825 OD1 ASP B 56 2.488 -2.534 14.850 1.00 0.00 O ATOM 1826 OD2 ASP B 56 2.313 -1.874 16.921 1.00 0.00 O ATOM 0 H ASP B 56 -0.627 1.190 15.487 1.00 0.00 H new ATOM 0 HA ASP B 56 0.108 -1.038 13.678 1.00 0.00 H new ATOM 0 HB2 ASP B 56 2.067 0.058 14.430 1.00 0.00 H new ATOM 0 HB3 ASP B 56 1.429 0.317 16.042 1.00 0.00 H new ATOM 1831 N LEU B 57 -1.236 -2.696 14.906 1.00 0.00 N ATOM 1832 CA LEU B 57 -1.963 -3.811 15.532 1.00 0.00 C ATOM 1833 C LEU B 57 -1.024 -4.955 16.014 1.00 0.00 C ATOM 1834 O LEU B 57 -1.424 -5.723 16.894 1.00 0.00 O ATOM 1835 CB LEU B 57 -3.008 -4.401 14.525 1.00 0.00 C ATOM 1836 CG LEU B 57 -4.190 -3.472 14.077 1.00 0.00 C ATOM 1837 CD1 LEU B 57 -4.980 -2.925 15.280 1.00 0.00 C ATOM 1838 CD2 LEU B 57 -3.717 -2.330 13.162 1.00 0.00 C ATOM 0 H LEU B 57 -1.147 -2.799 13.895 1.00 0.00 H new ATOM 0 HA LEU B 57 -2.461 -3.402 16.411 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -2.471 -4.717 13.630 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -3.437 -5.298 14.973 1.00 0.00 H new ATOM 0 HG LEU B 57 -4.867 -4.097 13.494 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -5.789 -2.287 14.924 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -5.397 -3.756 15.850 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -4.314 -2.345 15.919 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -4.570 -1.714 12.878 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -2.988 -1.717 13.692 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -3.257 -2.748 12.266 1.00 0.00 H new ATOM 1850 N THR B 58 0.215 -5.078 15.466 1.00 0.00 N ATOM 1851 CA THR B 58 1.056 -6.294 15.692 1.00 0.00 C ATOM 1852 C THR B 58 1.992 -6.163 16.909 1.00 0.00 C ATOM 1853 O THR B 58 2.423 -7.195 17.434 1.00 0.00 O ATOM 1854 CB THR B 58 1.888 -6.698 14.421 1.00 0.00 C ATOM 1855 OG1 THR B 58 2.558 -7.959 14.609 1.00 0.00 O ATOM 1856 CG2 THR B 58 2.928 -5.644 14.005 1.00 0.00 C ATOM 0 H THR B 58 0.650 -4.368 14.876 1.00 0.00 H new ATOM 0 HA THR B 58 0.342 -7.090 15.903 1.00 0.00 H new ATOM 0 HB THR B 58 1.154 -6.778 13.619 1.00 0.00 H new ATOM 0 HG1 THR B 58 2.623 -8.155 15.567 1.00 0.00 H new ATOM 0 HG21 THR B 58 3.464 -5.991 13.121 1.00 0.00 H new ATOM 0 HG22 THR B 58 2.424 -4.705 13.778 1.00 0.00 H new ATOM 0 HG23 THR B 58 3.635 -5.489 14.820 1.00 0.00 H new ATOM 1864 N THR B 59 2.250 -4.912 17.378 1.00 0.00 N ATOM 1865 CA THR B 59 3.225 -4.575 18.469 1.00 0.00 C ATOM 1866 C THR B 59 4.486 -5.486 18.534 1.00 0.00 C ATOM 1867 O THR B 59 4.966 -5.837 19.625 1.00 0.00 O ATOM 1868 CB THR B 59 2.487 -4.523 19.859 1.00 0.00 C ATOM 1869 OG1 THR B 59 1.815 -5.766 20.110 1.00 0.00 O ATOM 1870 CG2 THR B 59 1.465 -3.371 19.923 1.00 0.00 C ATOM 0 H THR B 59 1.779 -4.088 17.005 1.00 0.00 H new ATOM 0 HA THR B 59 3.616 -3.589 18.218 1.00 0.00 H new ATOM 0 HB THR B 59 3.246 -4.349 20.622 1.00 0.00 H new ATOM 0 HG1 THR B 59 1.361 -5.723 20.977 1.00 0.00 H new ATOM 0 HG21 THR B 59 0.978 -3.370 20.898 1.00 0.00 H new ATOM 0 HG22 THR B 59 1.978 -2.421 19.773 1.00 0.00 H new ATOM 0 HG23 THR B 59 0.715 -3.506 19.143 1.00 0.00 H new