USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 703 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 24 CYS SG : rot -100:sc= -0.946 USER MOD Set 1.2: A 41 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 9 LYS NZ :NH3+ 161:sc= 0.0255 (180deg=0) USER MOD Set 2.2: A 75 TYR OH : rot 61:sc= 0.737 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 0.00233 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.048 K(o=-0.048,f=-1.9) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00817 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -4.39 K(o=-4.4,f=-7!) USER MOD Single : A 19 GLN : amide:sc= -7.47! C(o=-7.5!,f=-14!) USER MOD Single : A 26 THR OG1 : rot 130:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.341 K(o=-0.34,f=-3.5!) USER MOD Single : A 31 LYS NZ :NH3+ 168:sc= 0.0648 (180deg=0.0484) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0568 X(o=-0.057,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0592) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 87:sc= -2.11 USER MOD Single : A 51 ASN : amide:sc= -0.137 K(o=-0.14,f=-2.4!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0459 USER MOD Single : A 55 HIS : no HE2:sc= -1.64 X(o=-1.6,f=-1.9) USER MOD Single : A 56 CYS SG : rot -60:sc= -5.19! USER MOD Single : A 61 ASN :FLIP amide:sc= -0.566 F(o=-2.1!,f=-0.57) USER MOD Single : A 64 SER OG : rot 50:sc= 0.0717 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 1:sc= 0.711 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 111:sc= 0.186 USER MOD Single : A 72 HIS : no HE2:sc= -4.77! C(o=-4.8!,f=-9.1!) USER MOD Single : A 77 TYR OH : rot -39:sc= 0.00642 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 87 LYS NZ :NH3+ 154:sc= -0.608 (180deg=-1.62) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.944 12.954 -15.230 1.00 0.00 N ATOM 2 CA MET A 1 -17.993 13.390 -14.223 1.00 0.00 C ATOM 3 C MET A 1 -16.645 12.689 -14.402 1.00 0.00 C ATOM 4 O MET A 1 -16.545 11.702 -15.128 1.00 0.00 O ATOM 5 CB MET A 1 -18.547 13.083 -12.829 1.00 0.00 C ATOM 6 CG MET A 1 -18.542 14.334 -11.949 1.00 0.00 C ATOM 7 SD MET A 1 -18.343 13.874 -10.237 1.00 0.00 S ATOM 8 CE MET A 1 -18.544 15.470 -9.462 1.00 0.00 C ATOM 0 H1 MET A 1 -19.907 13.207 -14.930 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.729 13.420 -16.135 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.877 11.923 -15.347 1.00 0.00 H new ATOM 0 HA MET A 1 -17.841 14.464 -14.335 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.563 12.698 -12.914 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.949 12.302 -12.360 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.733 14.999 -12.252 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.473 14.885 -12.080 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.448 15.364 -8.381 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.777 16.152 -9.829 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.530 15.869 -9.702 1.00 0.00 H new ATOM 18 N SER A 2 -15.640 13.227 -13.727 1.00 0.00 N ATOM 19 CA SER A 2 -14.301 12.666 -13.802 1.00 0.00 C ATOM 20 C SER A 2 -13.621 12.748 -12.434 1.00 0.00 C ATOM 21 O SER A 2 -12.994 13.754 -12.108 1.00 0.00 O ATOM 22 CB SER A 2 -13.460 13.386 -14.857 1.00 0.00 C ATOM 23 OG SER A 2 -13.513 12.731 -16.122 1.00 0.00 O ATOM 0 H SER A 2 -15.726 14.046 -13.125 1.00 0.00 H new ATOM 0 HA SER A 2 -14.385 11.620 -14.096 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.814 14.411 -14.965 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.425 13.440 -14.520 1.00 0.00 H new ATOM 0 HG SER A 2 -12.965 13.223 -16.768 1.00 0.00 H new ATOM 29 N ASP A 3 -13.768 11.675 -11.670 1.00 0.00 N ATOM 30 CA ASP A 3 -13.176 11.613 -10.344 1.00 0.00 C ATOM 31 C ASP A 3 -12.041 10.588 -10.345 1.00 0.00 C ATOM 32 O ASP A 3 -12.029 9.671 -11.166 1.00 0.00 O ATOM 33 CB ASP A 3 -14.207 11.177 -9.301 1.00 0.00 C ATOM 34 CG ASP A 3 -14.560 9.691 -9.324 1.00 0.00 C ATOM 35 OD1 ASP A 3 -14.999 9.154 -10.353 1.00 0.00 O ATOM 36 OD2 ASP A 3 -14.369 9.066 -8.211 1.00 0.00 O ATOM 0 H ASP A 3 -14.288 10.842 -11.944 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.807 12.607 -10.092 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.829 11.430 -8.310 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -15.119 11.754 -9.451 1.00 0.00 H new ATOM 42 N ARG A 4 -11.115 10.776 -9.417 1.00 0.00 N ATOM 43 CA ARG A 4 -9.978 9.879 -9.301 1.00 0.00 C ATOM 44 C ARG A 4 -9.601 9.688 -7.830 1.00 0.00 C ATOM 45 O ARG A 4 -8.423 9.566 -7.498 1.00 0.00 O ATOM 46 CB ARG A 4 -8.768 10.421 -10.064 1.00 0.00 C ATOM 47 CG ARG A 4 -8.892 10.136 -11.562 1.00 0.00 C ATOM 48 CD ARG A 4 -8.394 11.325 -12.389 1.00 0.00 C ATOM 49 NE ARG A 4 -6.945 11.188 -12.650 1.00 0.00 N ATOM 50 CZ ARG A 4 -6.426 10.511 -13.697 1.00 0.00 C ATOM 51 NH1 ARG A 4 -7.236 9.904 -14.589 1.00 0.00 N ATOM 52 NH2 ARG A 4 -5.115 10.452 -13.834 1.00 0.00 N ATOM 0 H ARG A 4 -11.129 11.537 -8.738 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.266 8.921 -9.734 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.682 11.495 -9.900 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.856 9.966 -9.678 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.317 9.246 -11.815 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -9.932 9.925 -11.811 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.938 11.376 -13.332 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -8.590 12.256 -11.857 1.00 0.00 H new ATOM 0 HE ARG A 4 -6.297 11.632 -11.999 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -8.248 9.954 -14.475 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.836 9.395 -15.377 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.510 10.914 -13.155 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.707 9.945 -14.619 1.00 0.00 H new ATOM 65 N LYS A 5 -10.625 9.669 -6.988 1.00 0.00 N ATOM 66 CA LYS A 5 -10.415 9.495 -5.561 1.00 0.00 C ATOM 67 C LYS A 5 -9.449 8.331 -5.329 1.00 0.00 C ATOM 68 O LYS A 5 -9.681 7.223 -5.808 1.00 0.00 O ATOM 69 CB LYS A 5 -11.755 9.336 -4.838 1.00 0.00 C ATOM 70 CG LYS A 5 -12.015 10.514 -3.899 1.00 0.00 C ATOM 71 CD LYS A 5 -13.407 10.419 -3.272 1.00 0.00 C ATOM 72 CE LYS A 5 -13.641 11.559 -2.279 1.00 0.00 C ATOM 73 NZ LYS A 5 -15.037 12.043 -2.364 1.00 0.00 N ATOM 0 H LYS A 5 -11.601 9.771 -7.267 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.951 10.384 -5.133 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.560 9.265 -5.569 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.757 8.406 -4.270 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.259 10.531 -3.114 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.924 11.450 -4.450 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -14.165 10.452 -4.055 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.516 9.461 -2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.430 11.216 -1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.953 12.378 -2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.178 12.817 -1.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.226 12.389 -3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.689 11.263 -2.142 1.00 0.00 H new ATOM 85 N ALA A 6 -8.385 8.624 -4.594 1.00 0.00 N ATOM 86 CA ALA A 6 -7.383 7.616 -4.293 1.00 0.00 C ATOM 87 C ALA A 6 -6.808 7.069 -5.600 1.00 0.00 C ATOM 88 O ALA A 6 -7.432 6.238 -6.259 1.00 0.00 O ATOM 89 CB ALA A 6 -8.007 6.519 -3.427 1.00 0.00 C ATOM 0 H ALA A 6 -8.196 9.545 -4.199 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.559 8.051 -3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.256 5.762 -3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.375 6.954 -2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.836 6.058 -3.965 1.00 0.00 H new ATOM 95 N VAL A 7 -5.623 7.557 -5.938 1.00 0.00 N ATOM 96 CA VAL A 7 -4.957 7.128 -7.155 1.00 0.00 C ATOM 97 C VAL A 7 -4.141 5.866 -6.868 1.00 0.00 C ATOM 98 O VAL A 7 -3.782 5.604 -5.720 1.00 0.00 O ATOM 99 CB VAL A 7 -4.111 8.271 -7.719 1.00 0.00 C ATOM 100 CG1 VAL A 7 -3.289 7.803 -8.923 1.00 0.00 C ATOM 101 CG2 VAL A 7 -4.985 9.471 -8.086 1.00 0.00 C ATOM 0 H VAL A 7 -5.108 8.245 -5.390 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.689 6.874 -7.921 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.416 8.588 -6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.697 8.635 -9.305 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.625 6.994 -8.618 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.960 7.446 -9.705 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.359 10.269 -8.484 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.715 9.173 -8.838 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.505 9.828 -7.197 1.00 0.00 H new ATOM 111 N ILE A 8 -3.873 5.118 -7.928 1.00 0.00 N ATOM 112 CA ILE A 8 -3.105 3.890 -7.803 1.00 0.00 C ATOM 113 C ILE A 8 -2.153 3.765 -8.994 1.00 0.00 C ATOM 114 O ILE A 8 -2.559 3.958 -10.139 1.00 0.00 O ATOM 115 CB ILE A 8 -4.040 2.690 -7.633 1.00 0.00 C ATOM 116 CG1 ILE A 8 -4.414 2.490 -6.164 1.00 0.00 C ATOM 117 CG2 ILE A 8 -3.429 1.429 -8.246 1.00 0.00 C ATOM 118 CD1 ILE A 8 -5.805 3.053 -5.869 1.00 0.00 C ATOM 0 H ILE A 8 -4.174 5.338 -8.877 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.489 3.915 -6.904 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.963 2.897 -8.174 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.389 1.428 -5.920 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.677 2.980 -5.528 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.113 0.591 -8.112 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.256 1.589 -9.310 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.482 1.207 -7.753 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.045 2.897 -4.817 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.820 4.120 -6.090 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.543 2.544 -6.489 1.00 0.00 H new ATOM 130 N LYS A 9 -0.906 3.443 -8.682 1.00 0.00 N ATOM 131 CA LYS A 9 0.106 3.290 -9.713 1.00 0.00 C ATOM 132 C LYS A 9 0.130 1.835 -10.185 1.00 0.00 C ATOM 133 O LYS A 9 -0.593 1.467 -11.109 1.00 0.00 O ATOM 134 CB LYS A 9 1.460 3.798 -9.213 1.00 0.00 C ATOM 135 CG LYS A 9 1.800 5.154 -9.833 1.00 0.00 C ATOM 136 CD LYS A 9 2.825 5.905 -8.980 1.00 0.00 C ATOM 137 CE LYS A 9 2.198 6.400 -7.677 1.00 0.00 C ATOM 138 NZ LYS A 9 2.445 7.849 -7.500 1.00 0.00 N ATOM 0 H LYS A 9 -0.574 3.284 -7.731 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.137 3.903 -10.581 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.441 3.885 -8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.238 3.076 -9.461 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.194 5.009 -10.839 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.894 5.752 -9.929 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.667 5.250 -8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.220 6.751 -9.542 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.125 6.206 -7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.614 5.849 -6.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.768 8.235 -6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.414 7.996 -7.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.327 8.335 -8.412 1.00 0.00 H new ATOM 150 N ASN A 10 0.971 1.048 -9.530 1.00 0.00 N ATOM 151 CA ASN A 10 1.101 -0.359 -9.871 1.00 0.00 C ATOM 152 C ASN A 10 0.563 -1.210 -8.719 1.00 0.00 C ATOM 153 O ASN A 10 1.187 -1.296 -7.663 1.00 0.00 O ATOM 154 CB ASN A 10 2.565 -0.738 -10.098 1.00 0.00 C ATOM 155 CG ASN A 10 2.679 -2.097 -10.792 1.00 0.00 C ATOM 156 OD1 ASN A 10 1.704 -2.804 -10.994 1.00 0.00 O ATOM 157 ND2 ASN A 10 3.917 -2.422 -11.147 1.00 0.00 N ATOM 0 H ASN A 10 1.570 1.358 -8.764 1.00 0.00 H new ATOM 0 HA ASN A 10 0.538 -0.538 -10.787 1.00 0.00 H new ATOM 0 HB2 ASN A 10 3.052 0.026 -10.704 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.089 -0.769 -9.143 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.096 -3.309 -11.618 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.688 -1.785 -10.948 1.00 0.00 H new ATOM 164 N ALA A 11 -0.590 -1.817 -8.962 1.00 0.00 N ATOM 165 CA ALA A 11 -1.218 -2.658 -7.958 1.00 0.00 C ATOM 166 C ALA A 11 -1.640 -3.982 -8.599 1.00 0.00 C ATOM 167 O ALA A 11 -1.247 -5.052 -8.139 1.00 0.00 O ATOM 168 CB ALA A 11 -2.397 -1.911 -7.331 1.00 0.00 C ATOM 0 H ALA A 11 -1.105 -1.743 -9.839 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.516 -2.889 -7.157 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.868 -2.542 -6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.039 -0.993 -6.864 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.124 -1.665 -8.104 1.00 0.00 H new ATOM 174 N ASP A 12 -2.436 -3.865 -9.653 1.00 0.00 N ATOM 175 CA ASP A 12 -2.915 -5.038 -10.362 1.00 0.00 C ATOM 176 C ASP A 12 -3.600 -5.983 -9.371 1.00 0.00 C ATOM 177 O ASP A 12 -4.778 -5.815 -9.061 1.00 0.00 O ATOM 178 CB ASP A 12 -1.760 -5.797 -11.016 1.00 0.00 C ATOM 179 CG ASP A 12 -1.378 -5.311 -12.415 1.00 0.00 C ATOM 180 OD1 ASP A 12 -1.789 -5.894 -13.429 1.00 0.00 O ATOM 181 OD2 ASP A 12 -0.613 -4.272 -12.441 1.00 0.00 O ATOM 0 H ASP A 12 -2.760 -2.975 -10.032 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.610 -4.705 -11.133 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.885 -5.723 -10.370 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.025 -6.853 -11.074 1.00 0.00 H new ATOM 187 N MET A 13 -2.832 -6.956 -8.902 1.00 0.00 N ATOM 188 CA MET A 13 -3.350 -7.927 -7.954 1.00 0.00 C ATOM 189 C MET A 13 -4.847 -8.161 -8.171 1.00 0.00 C ATOM 190 O MET A 13 -5.330 -8.107 -9.301 1.00 0.00 O ATOM 191 CB MET A 13 -3.112 -7.424 -6.529 1.00 0.00 C ATOM 192 CG MET A 13 -2.825 -8.589 -5.579 1.00 0.00 C ATOM 193 SD MET A 13 -1.117 -9.088 -5.722 1.00 0.00 S ATOM 194 CE MET A 13 -1.318 -10.859 -5.817 1.00 0.00 C ATOM 0 H MET A 13 -1.855 -7.092 -9.161 1.00 0.00 H new ATOM 0 HA MET A 13 -2.829 -8.872 -8.107 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.274 -6.728 -6.520 1.00 0.00 H new ATOM 0 HB3 MET A 13 -3.987 -6.874 -6.182 1.00 0.00 H new ATOM 0 HG2 MET A 13 -3.041 -8.293 -4.552 1.00 0.00 H new ATOM 0 HG3 MET A 13 -3.479 -9.429 -5.813 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.340 -11.332 -5.910 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.810 -11.218 -4.913 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.927 -11.110 -6.686 1.00 0.00 H new ATOM 204 N SER A 14 -5.538 -8.417 -7.071 1.00 0.00 N ATOM 205 CA SER A 14 -6.970 -8.660 -7.126 1.00 0.00 C ATOM 206 C SER A 14 -7.711 -7.613 -6.292 1.00 0.00 C ATOM 207 O SER A 14 -7.286 -7.281 -5.186 1.00 0.00 O ATOM 208 CB SER A 14 -7.308 -10.069 -6.633 1.00 0.00 C ATOM 209 OG SER A 14 -8.688 -10.199 -6.298 1.00 0.00 O ATOM 0 H SER A 14 -5.133 -8.462 -6.136 1.00 0.00 H new ATOM 0 HA SER A 14 -7.291 -8.581 -8.165 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.052 -10.795 -7.405 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.699 -10.304 -5.760 1.00 0.00 H new ATOM 0 HG SER A 14 -8.865 -11.112 -5.989 1.00 0.00 H new ATOM 215 N GLU A 15 -8.805 -7.123 -6.852 1.00 0.00 N ATOM 216 CA GLU A 15 -9.609 -6.120 -6.176 1.00 0.00 C ATOM 217 C GLU A 15 -9.733 -6.457 -4.688 1.00 0.00 C ATOM 218 O GLU A 15 -9.934 -5.567 -3.862 1.00 0.00 O ATOM 219 CB GLU A 15 -10.988 -5.993 -6.824 1.00 0.00 C ATOM 220 CG GLU A 15 -11.445 -4.532 -6.860 1.00 0.00 C ATOM 221 CD GLU A 15 -12.761 -4.387 -7.626 1.00 0.00 C ATOM 222 OE1 GLU A 15 -13.071 -5.222 -8.490 1.00 0.00 O ATOM 223 OE2 GLU A 15 -13.473 -3.364 -7.298 1.00 0.00 O ATOM 0 H GLU A 15 -9.155 -7.402 -7.769 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.109 -5.156 -6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.956 -6.393 -7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.711 -6.590 -6.269 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.570 -4.161 -5.843 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.677 -3.919 -7.331 1.00 0.00 H new ATOM 231 N GLU A 16 -9.607 -7.742 -4.391 1.00 0.00 N ATOM 232 CA GLU A 16 -9.703 -8.206 -3.018 1.00 0.00 C ATOM 233 C GLU A 16 -8.610 -7.562 -2.164 1.00 0.00 C ATOM 234 O GLU A 16 -8.901 -6.942 -1.141 1.00 0.00 O ATOM 235 CB GLU A 16 -9.625 -9.732 -2.949 1.00 0.00 C ATOM 236 CG GLU A 16 -10.905 -10.319 -2.351 1.00 0.00 C ATOM 237 CD GLU A 16 -10.878 -11.849 -2.395 1.00 0.00 C ATOM 238 OE1 GLU A 16 -9.857 -12.462 -2.050 1.00 0.00 O ATOM 239 OE2 GLU A 16 -11.970 -12.402 -2.805 1.00 0.00 O ATOM 0 H GLU A 16 -9.439 -8.477 -5.078 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.672 -7.906 -2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.467 -10.137 -3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.768 -10.029 -2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.017 -9.983 -1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.770 -9.951 -2.902 1.00 0.00 H new ATOM 247 N MET A 17 -7.374 -7.731 -2.613 1.00 0.00 N ATOM 248 CA MET A 17 -6.237 -7.174 -1.902 1.00 0.00 C ATOM 249 C MET A 17 -6.048 -5.695 -2.243 1.00 0.00 C ATOM 250 O MET A 17 -5.649 -4.902 -1.390 1.00 0.00 O ATOM 251 CB MET A 17 -4.972 -7.949 -2.275 1.00 0.00 C ATOM 252 CG MET A 17 -5.099 -9.424 -1.888 1.00 0.00 C ATOM 253 SD MET A 17 -5.670 -10.375 -3.286 1.00 0.00 S ATOM 254 CE MET A 17 -5.649 -12.014 -2.577 1.00 0.00 C ATOM 0 H MET A 17 -7.136 -8.246 -3.461 1.00 0.00 H new ATOM 0 HA MET A 17 -6.424 -7.260 -0.832 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.792 -7.865 -3.347 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.111 -7.510 -1.772 1.00 0.00 H new ATOM 0 HG2 MET A 17 -4.135 -9.804 -1.549 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.795 -9.532 -1.056 1.00 0.00 H new ATOM 0 HE1 MET A 17 -5.981 -12.737 -3.322 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.636 -12.260 -2.259 1.00 0.00 H new ATOM 0 HE3 MET A 17 -6.318 -12.047 -1.717 1.00 0.00 H new ATOM 264 N GLN A 18 -6.342 -5.367 -3.493 1.00 0.00 N ATOM 265 CA GLN A 18 -6.210 -3.996 -3.957 1.00 0.00 C ATOM 266 C GLN A 18 -7.222 -3.095 -3.249 1.00 0.00 C ATOM 267 O GLN A 18 -6.873 -2.013 -2.776 1.00 0.00 O ATOM 268 CB GLN A 18 -6.370 -3.915 -5.477 1.00 0.00 C ATOM 269 CG GLN A 18 -6.708 -2.488 -5.917 1.00 0.00 C ATOM 270 CD GLN A 18 -5.464 -1.598 -5.892 1.00 0.00 C ATOM 271 OE1 GLN A 18 -4.975 -1.142 -6.912 1.00 0.00 O ATOM 272 NE2 GLN A 18 -4.979 -1.379 -4.673 1.00 0.00 N ATOM 0 H GLN A 18 -6.671 -6.026 -4.198 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.208 -3.644 -3.711 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.449 -4.240 -5.961 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -7.158 -4.595 -5.800 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.128 -2.504 -6.923 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.471 -2.072 -5.259 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.437 -1.791 -3.860 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.149 -0.799 -4.551 1.00 0.00 H new ATOM 281 N GLN A 19 -8.457 -3.572 -3.198 1.00 0.00 N ATOM 282 CA GLN A 19 -9.523 -2.824 -2.554 1.00 0.00 C ATOM 283 C GLN A 19 -9.326 -2.816 -1.037 1.00 0.00 C ATOM 284 O GLN A 19 -9.425 -1.769 -0.400 1.00 0.00 O ATOM 285 CB GLN A 19 -10.894 -3.392 -2.926 1.00 0.00 C ATOM 286 CG GLN A 19 -11.996 -2.354 -2.707 1.00 0.00 C ATOM 287 CD GLN A 19 -11.829 -1.654 -1.356 1.00 0.00 C ATOM 288 OE1 GLN A 19 -12.090 -2.212 -0.303 1.00 0.00 O ATOM 289 NE2 GLN A 19 -11.381 -0.405 -1.446 1.00 0.00 N ATOM 0 H GLN A 19 -8.743 -4.468 -3.593 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.484 -1.795 -2.911 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.890 -3.708 -3.969 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.100 -4.278 -2.325 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.970 -1.616 -3.509 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.971 -2.839 -2.751 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.182 0.001 -2.360 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.236 0.147 -0.601 1.00 0.00 H new ATOM 298 N ASP A 20 -9.052 -3.997 -0.503 1.00 0.00 N ATOM 299 CA ASP A 20 -8.840 -4.138 0.928 1.00 0.00 C ATOM 300 C ASP A 20 -7.629 -3.303 1.346 1.00 0.00 C ATOM 301 O ASP A 20 -7.674 -2.597 2.353 1.00 0.00 O ATOM 302 CB ASP A 20 -8.559 -5.596 1.302 1.00 0.00 C ATOM 303 CG ASP A 20 -8.463 -5.872 2.803 1.00 0.00 C ATOM 304 OD1 ASP A 20 -9.222 -6.684 3.353 1.00 0.00 O ATOM 305 OD2 ASP A 20 -7.549 -5.205 3.422 1.00 0.00 O ATOM 0 H ASP A 20 -8.972 -4.864 -1.034 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.743 -3.801 1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.347 -6.221 0.883 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.625 -5.902 0.831 1.00 0.00 H new ATOM 311 N ALA A 21 -6.574 -3.408 0.552 1.00 0.00 N ATOM 312 CA ALA A 21 -5.353 -2.670 0.826 1.00 0.00 C ATOM 313 C ALA A 21 -5.629 -1.171 0.699 1.00 0.00 C ATOM 314 O ALA A 21 -5.531 -0.433 1.679 1.00 0.00 O ATOM 315 CB ALA A 21 -4.246 -3.142 -0.120 1.00 0.00 C ATOM 0 H ALA A 21 -6.540 -3.994 -0.282 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.012 -2.857 1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.330 -2.588 0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.068 -4.207 0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.551 -2.968 -1.152 1.00 0.00 H new ATOM 321 N VAL A 22 -5.968 -0.765 -0.516 1.00 0.00 N ATOM 322 CA VAL A 22 -6.260 0.633 -0.784 1.00 0.00 C ATOM 323 C VAL A 22 -7.286 1.140 0.232 1.00 0.00 C ATOM 324 O VAL A 22 -7.358 2.337 0.502 1.00 0.00 O ATOM 325 CB VAL A 22 -6.717 0.804 -2.233 1.00 0.00 C ATOM 326 CG1 VAL A 22 -8.190 0.423 -2.392 1.00 0.00 C ATOM 327 CG2 VAL A 22 -6.463 2.230 -2.724 1.00 0.00 C ATOM 0 H VAL A 22 -6.047 -1.380 -1.326 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.362 1.240 -0.668 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.128 0.127 -2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.489 0.554 -3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.330 -0.618 -2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.802 1.062 -1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.797 2.324 -3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.013 2.933 -2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.397 2.450 -2.666 1.00 0.00 H new ATOM 337 N ASP A 23 -8.056 0.202 0.764 1.00 0.00 N ATOM 338 CA ASP A 23 -9.076 0.538 1.742 1.00 0.00 C ATOM 339 C ASP A 23 -8.404 1.054 3.017 1.00 0.00 C ATOM 340 O ASP A 23 -8.563 2.219 3.377 1.00 0.00 O ATOM 341 CB ASP A 23 -9.910 -0.689 2.113 1.00 0.00 C ATOM 342 CG ASP A 23 -11.364 -0.652 1.637 1.00 0.00 C ATOM 343 OD1 ASP A 23 -11.778 0.274 0.925 1.00 0.00 O ATOM 344 OD2 ASP A 23 -12.093 -1.640 2.032 1.00 0.00 O ATOM 0 H ASP A 23 -7.994 -0.790 0.536 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.725 1.297 1.304 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.430 -1.575 1.697 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.901 -0.801 3.197 1.00 0.00 H new ATOM 350 N CYS A 24 -7.667 0.163 3.661 1.00 0.00 N ATOM 351 CA CYS A 24 -6.970 0.514 4.887 1.00 0.00 C ATOM 352 C CYS A 24 -6.022 1.677 4.585 1.00 0.00 C ATOM 353 O CYS A 24 -5.746 2.499 5.456 1.00 0.00 O ATOM 354 CB CYS A 24 -6.230 -0.686 5.481 1.00 0.00 C ATOM 355 SG CYS A 24 -7.369 -1.670 6.522 1.00 0.00 S ATOM 0 H CYS A 24 -7.537 -0.802 3.358 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.692 0.822 5.643 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.826 -1.307 4.681 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.384 -0.344 6.077 1.00 0.00 H new ATOM 0 HG CYS A 24 -7.175 -1.377 7.774 1.00 0.00 H new ATOM 361 N ALA A 25 -5.551 1.706 3.347 1.00 0.00 N ATOM 362 CA ALA A 25 -4.640 2.755 2.919 1.00 0.00 C ATOM 363 C ALA A 25 -5.366 4.101 2.953 1.00 0.00 C ATOM 364 O ALA A 25 -5.117 4.921 3.835 1.00 0.00 O ATOM 365 CB ALA A 25 -4.096 2.421 1.529 1.00 0.00 C ATOM 0 H ALA A 25 -5.782 1.021 2.627 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.788 2.824 3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.413 3.207 1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.564 1.470 1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.923 2.347 0.823 1.00 0.00 H new ATOM 371 N THR A 26 -6.249 4.286 1.983 1.00 0.00 N ATOM 372 CA THR A 26 -7.013 5.519 1.893 1.00 0.00 C ATOM 373 C THR A 26 -7.605 5.883 3.256 1.00 0.00 C ATOM 374 O THR A 26 -7.587 7.046 3.654 1.00 0.00 O ATOM 375 CB THR A 26 -8.069 5.341 0.800 1.00 0.00 C ATOM 376 OG1 THR A 26 -7.414 5.772 -0.390 1.00 0.00 O ATOM 377 CG2 THR A 26 -9.241 6.314 0.953 1.00 0.00 C ATOM 0 H THR A 26 -6.453 3.603 1.253 1.00 0.00 H new ATOM 0 HA THR A 26 -6.376 6.359 1.617 1.00 0.00 H new ATOM 0 HB THR A 26 -8.442 4.317 0.820 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.525 5.094 -1.089 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.961 6.145 0.152 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.725 6.152 1.916 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.873 7.339 0.900 1.00 0.00 H new ATOM 385 N GLN A 27 -8.114 4.865 3.934 1.00 0.00 N ATOM 386 CA GLN A 27 -8.710 5.062 5.245 1.00 0.00 C ATOM 387 C GLN A 27 -7.661 5.574 6.233 1.00 0.00 C ATOM 388 O GLN A 27 -7.940 6.463 7.035 1.00 0.00 O ATOM 389 CB GLN A 27 -9.359 3.772 5.751 1.00 0.00 C ATOM 390 CG GLN A 27 -10.583 3.406 4.910 1.00 0.00 C ATOM 391 CD GLN A 27 -11.099 2.012 5.272 1.00 0.00 C ATOM 392 OE1 GLN A 27 -10.407 1.015 5.153 1.00 0.00 O ATOM 393 NE2 GLN A 27 -12.352 1.999 5.719 1.00 0.00 N ATOM 0 H GLN A 27 -8.126 3.901 3.600 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.494 5.814 5.158 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.634 2.959 5.717 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.653 3.894 6.793 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.371 4.142 5.069 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.325 3.439 3.852 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.876 2.871 5.794 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.789 1.117 5.987 1.00 0.00 H new ATOM 402 N ALA A 28 -6.475 4.990 6.143 1.00 0.00 N ATOM 403 CA ALA A 28 -5.381 5.376 7.019 1.00 0.00 C ATOM 404 C ALA A 28 -5.157 6.886 6.913 1.00 0.00 C ATOM 405 O ALA A 28 -5.098 7.582 7.926 1.00 0.00 O ATOM 406 CB ALA A 28 -4.131 4.572 6.660 1.00 0.00 C ATOM 0 H ALA A 28 -6.247 4.252 5.477 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.623 5.152 8.058 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.311 4.862 7.317 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.335 3.508 6.782 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.855 4.772 5.625 1.00 0.00 H new ATOM 412 N LEU A 29 -5.035 7.347 5.677 1.00 0.00 N ATOM 413 CA LEU A 29 -4.818 8.760 5.423 1.00 0.00 C ATOM 414 C LEU A 29 -6.052 9.550 5.867 1.00 0.00 C ATOM 415 O LEU A 29 -5.980 10.762 6.060 1.00 0.00 O ATOM 416 CB LEU A 29 -4.434 8.991 3.961 1.00 0.00 C ATOM 417 CG LEU A 29 -4.137 10.438 3.564 1.00 0.00 C ATOM 418 CD1 LEU A 29 -2.894 10.521 2.676 1.00 0.00 C ATOM 419 CD2 LEU A 29 -5.358 11.087 2.906 1.00 0.00 C ATOM 0 H LEU A 29 -5.082 6.766 4.840 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.976 9.126 6.010 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.555 8.387 3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.243 8.622 3.331 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.921 11.003 4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.706 11.561 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.034 10.124 3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.055 9.937 1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.121 12.115 2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.629 10.527 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.194 11.081 3.605 1.00 0.00 H new ATOM 431 N GLU A 30 -7.154 8.829 6.014 1.00 0.00 N ATOM 432 CA GLU A 30 -8.401 9.447 6.430 1.00 0.00 C ATOM 433 C GLU A 30 -8.629 9.225 7.927 1.00 0.00 C ATOM 434 O GLU A 30 -9.698 9.538 8.449 1.00 0.00 O ATOM 435 CB GLU A 30 -9.578 8.912 5.612 1.00 0.00 C ATOM 436 CG GLU A 30 -10.363 10.057 4.967 1.00 0.00 C ATOM 437 CD GLU A 30 -11.594 10.414 5.800 1.00 0.00 C ATOM 438 OE1 GLU A 30 -12.348 9.517 6.208 1.00 0.00 O ATOM 439 OE2 GLU A 30 -11.757 11.674 6.021 1.00 0.00 O ATOM 0 H GLU A 30 -7.209 7.823 5.852 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.331 10.519 6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.211 8.237 4.839 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.238 8.331 6.255 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.721 10.932 4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.670 9.771 3.961 1.00 0.00 H new ATOM 447 N LYS A 31 -7.607 8.688 8.576 1.00 0.00 N ATOM 448 CA LYS A 31 -7.682 8.420 10.002 1.00 0.00 C ATOM 449 C LYS A 31 -6.445 8.998 10.692 1.00 0.00 C ATOM 450 O LYS A 31 -6.556 9.660 11.723 1.00 0.00 O ATOM 451 CB LYS A 31 -7.887 6.925 10.257 1.00 0.00 C ATOM 452 CG LYS A 31 -7.561 6.568 11.708 1.00 0.00 C ATOM 453 CD LYS A 31 -8.337 5.327 12.155 1.00 0.00 C ATOM 454 CE LYS A 31 -8.365 5.218 13.680 1.00 0.00 C ATOM 455 NZ LYS A 31 -7.312 4.289 14.152 1.00 0.00 N ATOM 0 H LYS A 31 -6.721 8.431 8.140 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.550 8.916 10.437 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.919 6.652 10.034 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.252 6.347 9.585 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.491 6.389 11.810 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.807 7.408 12.357 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.356 5.373 11.771 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.877 4.434 11.731 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.216 6.202 14.124 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.343 4.866 14.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.207 4.378 15.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.579 3.312 13.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.410 4.524 13.691 1.00 0.00 H new ATOM 467 N TYR A 32 -5.294 8.728 10.094 1.00 0.00 N ATOM 468 CA TYR A 32 -4.037 9.212 10.637 1.00 0.00 C ATOM 469 C TYR A 32 -3.486 10.368 9.799 1.00 0.00 C ATOM 470 O TYR A 32 -3.872 10.541 8.643 1.00 0.00 O ATOM 471 CB TYR A 32 -3.062 8.036 10.561 1.00 0.00 C ATOM 472 CG TYR A 32 -3.162 7.069 11.743 1.00 0.00 C ATOM 473 CD1 TYR A 32 -2.485 7.340 12.915 1.00 0.00 C ATOM 474 CD2 TYR A 32 -3.928 5.926 11.638 1.00 0.00 C ATOM 475 CE1 TYR A 32 -2.577 6.431 14.028 1.00 0.00 C ATOM 476 CE2 TYR A 32 -4.022 5.017 12.751 1.00 0.00 C ATOM 477 CZ TYR A 32 -3.342 5.314 13.892 1.00 0.00 C ATOM 478 OH TYR A 32 -3.430 4.456 14.941 1.00 0.00 O ATOM 0 H TYR A 32 -5.206 8.180 9.238 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.175 9.576 11.655 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.243 7.486 9.638 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.045 8.423 10.506 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.886 8.235 12.997 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.457 5.713 10.721 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.051 6.631 14.950 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.619 4.120 12.682 1.00 0.00 H new ATOM 0 HH TYR A 32 -4.011 3.704 14.701 1.00 0.00 H new ATOM 488 N ASN A 33 -2.593 11.129 10.413 1.00 0.00 N ATOM 489 CA ASN A 33 -1.986 12.265 9.738 1.00 0.00 C ATOM 490 C ASN A 33 -0.489 12.006 9.561 1.00 0.00 C ATOM 491 O ASN A 33 0.186 12.724 8.825 1.00 0.00 O ATOM 492 CB ASN A 33 -2.150 13.546 10.557 1.00 0.00 C ATOM 493 CG ASN A 33 -2.390 14.751 9.648 1.00 0.00 C ATOM 494 OD1 ASN A 33 -1.576 15.656 9.545 1.00 0.00 O ATOM 495 ND2 ASN A 33 -3.548 14.717 8.996 1.00 0.00 N ATOM 0 H ASN A 33 -2.274 10.982 11.371 1.00 0.00 H new ATOM 0 HA ASN A 33 -2.481 12.388 8.775 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.986 13.435 11.248 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.257 13.713 11.160 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.800 15.477 8.365 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.184 13.930 9.127 1.00 0.00 H new ATOM 502 N ILE A 34 -0.013 10.978 10.248 1.00 0.00 N ATOM 503 CA ILE A 34 1.392 10.616 10.176 1.00 0.00 C ATOM 504 C ILE A 34 1.575 9.506 9.138 1.00 0.00 C ATOM 505 O ILE A 34 1.227 8.354 9.388 1.00 0.00 O ATOM 506 CB ILE A 34 1.923 10.251 11.565 1.00 0.00 C ATOM 507 CG1 ILE A 34 1.299 11.141 12.641 1.00 0.00 C ATOM 508 CG2 ILE A 34 3.453 10.300 11.596 1.00 0.00 C ATOM 509 CD1 ILE A 34 0.339 10.343 13.525 1.00 0.00 C ATOM 0 H ILE A 34 -0.576 10.384 10.857 1.00 0.00 H new ATOM 0 HA ILE A 34 1.988 11.466 9.844 1.00 0.00 H new ATOM 0 HB ILE A 34 1.629 9.225 11.786 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.085 11.580 13.256 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.764 11.966 12.170 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.805 10.037 12.593 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.854 9.592 10.871 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.790 11.306 11.346 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.090 11.000 14.281 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.459 9.926 12.911 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.882 9.534 14.013 1.00 0.00 H new ATOM 521 N GLU A 35 2.123 9.895 7.995 1.00 0.00 N ATOM 522 CA GLU A 35 2.356 8.948 6.918 1.00 0.00 C ATOM 523 C GLU A 35 3.106 7.722 7.442 1.00 0.00 C ATOM 524 O GLU A 35 2.727 6.588 7.154 1.00 0.00 O ATOM 525 CB GLU A 35 3.120 9.607 5.766 1.00 0.00 C ATOM 526 CG GLU A 35 2.219 9.782 4.542 1.00 0.00 C ATOM 527 CD GLU A 35 1.485 8.481 4.211 1.00 0.00 C ATOM 528 OE1 GLU A 35 2.104 7.407 4.187 1.00 0.00 O ATOM 529 OE2 GLU A 35 0.224 8.612 3.975 1.00 0.00 O ATOM 0 H GLU A 35 2.412 10.852 7.792 1.00 0.00 H new ATOM 0 HA GLU A 35 1.391 8.621 6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.500 10.578 6.085 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.984 8.998 5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.495 10.575 4.729 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.818 10.093 3.686 1.00 0.00 H new ATOM 537 N LYS A 36 4.157 7.991 8.205 1.00 0.00 N ATOM 538 CA LYS A 36 4.963 6.923 8.772 1.00 0.00 C ATOM 539 C LYS A 36 4.047 5.919 9.476 1.00 0.00 C ATOM 540 O LYS A 36 4.201 4.710 9.307 1.00 0.00 O ATOM 541 CB LYS A 36 6.055 7.498 9.675 1.00 0.00 C ATOM 542 CG LYS A 36 7.415 7.471 8.976 1.00 0.00 C ATOM 543 CD LYS A 36 8.536 7.155 9.968 1.00 0.00 C ATOM 544 CE LYS A 36 9.557 6.195 9.355 1.00 0.00 C ATOM 545 NZ LYS A 36 9.073 4.799 9.436 1.00 0.00 N ATOM 0 H LYS A 36 4.468 8.933 8.443 1.00 0.00 H new ATOM 0 HA LYS A 36 5.486 6.381 7.985 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.803 8.523 9.949 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.106 6.924 10.600 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.405 6.723 8.183 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.604 8.435 8.503 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.033 8.078 10.266 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.114 6.714 10.871 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.737 6.463 8.314 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.509 6.286 9.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.779 4.162 9.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.924 4.541 10.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.176 4.712 8.918 1.00 0.00 H new ATOM 557 N ASP A 37 3.116 6.457 10.250 1.00 0.00 N ATOM 558 CA ASP A 37 2.177 5.623 10.981 1.00 0.00 C ATOM 559 C ASP A 37 1.134 5.066 10.009 1.00 0.00 C ATOM 560 O ASP A 37 0.531 4.026 10.270 1.00 0.00 O ATOM 561 CB ASP A 37 1.442 6.429 12.052 1.00 0.00 C ATOM 562 CG ASP A 37 0.912 5.609 13.230 1.00 0.00 C ATOM 563 OD1 ASP A 37 0.095 4.694 13.054 1.00 0.00 O ATOM 564 OD2 ASP A 37 1.379 5.947 14.384 1.00 0.00 O ATOM 0 H ASP A 37 2.992 7.460 10.387 1.00 0.00 H new ATOM 0 HA ASP A 37 2.739 4.820 11.458 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.117 7.194 12.436 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.605 6.948 11.584 1.00 0.00 H new ATOM 570 N ILE A 38 0.954 5.783 8.909 1.00 0.00 N ATOM 571 CA ILE A 38 -0.007 5.374 7.899 1.00 0.00 C ATOM 572 C ILE A 38 0.484 4.091 7.226 1.00 0.00 C ATOM 573 O ILE A 38 -0.163 3.049 7.323 1.00 0.00 O ATOM 574 CB ILE A 38 -0.273 6.519 6.919 1.00 0.00 C ATOM 575 CG1 ILE A 38 -0.981 7.684 7.617 1.00 0.00 C ATOM 576 CG2 ILE A 38 -1.052 6.026 5.698 1.00 0.00 C ATOM 577 CD1 ILE A 38 -2.489 7.639 7.366 1.00 0.00 C ATOM 0 H ILE A 38 1.457 6.644 8.695 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.969 5.147 8.357 1.00 0.00 H new ATOM 0 HB ILE A 38 0.687 6.892 6.560 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.786 7.643 8.689 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.577 8.629 7.255 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.228 6.859 5.018 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.476 5.255 5.186 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.008 5.612 6.019 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.967 8.477 7.873 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.682 7.704 6.295 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.894 6.703 7.751 1.00 0.00 H new ATOM 589 N ALA A 39 1.622 4.208 6.558 1.00 0.00 N ATOM 590 CA ALA A 39 2.207 3.070 5.870 1.00 0.00 C ATOM 591 C ALA A 39 2.520 1.970 6.885 1.00 0.00 C ATOM 592 O ALA A 39 2.348 0.788 6.597 1.00 0.00 O ATOM 593 CB ALA A 39 3.449 3.523 5.098 1.00 0.00 C ATOM 0 H ALA A 39 2.155 5.074 6.479 1.00 0.00 H new ATOM 0 HA ALA A 39 1.505 2.658 5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.888 2.669 4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.167 4.282 4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.177 3.940 5.793 1.00 0.00 H new ATOM 599 N ALA A 40 2.974 2.400 8.054 1.00 0.00 N ATOM 600 CA ALA A 40 3.313 1.466 9.114 1.00 0.00 C ATOM 601 C ALA A 40 2.040 0.774 9.604 1.00 0.00 C ATOM 602 O ALA A 40 2.081 -0.378 10.033 1.00 0.00 O ATOM 603 CB ALA A 40 4.042 2.209 10.236 1.00 0.00 C ATOM 0 H ALA A 40 3.115 3.382 8.290 1.00 0.00 H new ATOM 0 HA ALA A 40 3.987 0.693 8.744 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.296 1.508 11.031 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.954 2.658 9.843 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.396 2.991 10.635 1.00 0.00 H new ATOM 609 N TYR A 41 0.938 1.506 9.525 1.00 0.00 N ATOM 610 CA TYR A 41 -0.344 0.977 9.955 1.00 0.00 C ATOM 611 C TYR A 41 -0.905 -0.008 8.927 1.00 0.00 C ATOM 612 O TYR A 41 -1.519 -1.009 9.292 1.00 0.00 O ATOM 613 CB TYR A 41 -1.286 2.179 10.055 1.00 0.00 C ATOM 614 CG TYR A 41 -2.769 1.819 9.970 1.00 0.00 C ATOM 615 CD1 TYR A 41 -3.434 1.364 11.090 1.00 0.00 C ATOM 616 CD2 TYR A 41 -3.443 1.947 8.773 1.00 0.00 C ATOM 617 CE1 TYR A 41 -4.831 1.024 11.011 1.00 0.00 C ATOM 618 CE2 TYR A 41 -4.839 1.607 8.692 1.00 0.00 C ATOM 619 CZ TYR A 41 -5.466 1.162 9.816 1.00 0.00 C ATOM 620 OH TYR A 41 -6.785 0.840 9.740 1.00 0.00 O ATOM 0 H TYR A 41 0.907 2.461 9.169 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.240 0.446 10.901 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.102 2.694 10.998 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.047 2.881 9.256 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.906 1.263 12.027 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.923 2.303 7.896 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.363 0.667 11.881 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.377 1.703 7.761 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.106 0.989 8.826 1.00 0.00 H new ATOM 630 N ILE A 42 -0.671 0.309 7.662 1.00 0.00 N ATOM 631 CA ILE A 42 -1.143 -0.535 6.578 1.00 0.00 C ATOM 632 C ILE A 42 -0.427 -1.885 6.640 1.00 0.00 C ATOM 633 O ILE A 42 -1.069 -2.935 6.622 1.00 0.00 O ATOM 634 CB ILE A 42 -0.990 0.181 5.235 1.00 0.00 C ATOM 635 CG1 ILE A 42 -1.642 1.565 5.273 1.00 0.00 C ATOM 636 CG2 ILE A 42 -1.535 -0.677 4.090 1.00 0.00 C ATOM 637 CD1 ILE A 42 -0.840 2.571 4.445 1.00 0.00 C ATOM 0 H ILE A 42 -0.160 1.140 7.364 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.209 -0.734 6.687 1.00 0.00 H new ATOM 0 HB ILE A 42 0.073 0.331 5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.660 1.502 4.889 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.711 1.910 6.305 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.414 -0.144 3.147 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.987 -1.618 4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.593 -0.880 4.259 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.325 3.546 4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.170 2.649 4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.794 2.235 3.409 1.00 0.00 H new ATOM 649 N LYS A 43 0.895 -1.816 6.713 1.00 0.00 N ATOM 650 CA LYS A 43 1.704 -3.020 6.778 1.00 0.00 C ATOM 651 C LYS A 43 1.330 -3.815 8.030 1.00 0.00 C ATOM 652 O LYS A 43 1.114 -5.023 7.962 1.00 0.00 O ATOM 653 CB LYS A 43 3.191 -2.671 6.693 1.00 0.00 C ATOM 654 CG LYS A 43 4.046 -3.737 7.381 1.00 0.00 C ATOM 655 CD LYS A 43 4.397 -3.319 8.810 1.00 0.00 C ATOM 656 CE LYS A 43 5.633 -4.069 9.312 1.00 0.00 C ATOM 657 NZ LYS A 43 6.769 -3.136 9.487 1.00 0.00 N ATOM 0 H LYS A 43 1.425 -0.945 6.729 1.00 0.00 H new ATOM 0 HA LYS A 43 1.501 -3.662 5.921 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.488 -2.581 5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.368 -1.702 7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.508 -4.685 7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.961 -3.899 6.810 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.580 -2.245 8.844 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.553 -3.520 9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.408 -4.560 10.259 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.903 -4.852 8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.600 -3.661 9.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.993 -2.687 8.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.513 -2.404 10.180 1.00 0.00 H new ATOM 669 N LYS A 44 1.265 -3.103 9.146 1.00 0.00 N ATOM 670 CA LYS A 44 0.920 -3.727 10.413 1.00 0.00 C ATOM 671 C LYS A 44 -0.464 -4.367 10.301 1.00 0.00 C ATOM 672 O LYS A 44 -0.680 -5.475 10.785 1.00 0.00 O ATOM 673 CB LYS A 44 1.042 -2.718 11.557 1.00 0.00 C ATOM 674 CG LYS A 44 0.422 -3.270 12.842 1.00 0.00 C ATOM 675 CD LYS A 44 0.985 -2.557 14.073 1.00 0.00 C ATOM 676 CE LYS A 44 -0.015 -1.538 14.623 1.00 0.00 C ATOM 677 NZ LYS A 44 0.520 -0.890 15.840 1.00 0.00 N ATOM 0 H LYS A 44 1.445 -2.100 9.199 1.00 0.00 H new ATOM 0 HA LYS A 44 1.622 -4.527 10.648 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.092 -2.482 11.728 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.547 -1.787 11.280 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.661 -3.147 12.810 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.619 -4.340 12.915 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.224 -3.289 14.844 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.916 -2.054 13.812 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.227 -0.783 13.866 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.958 -2.033 14.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.172 -0.202 16.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.700 -1.612 16.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.408 -0.400 15.611 1.00 0.00 H new ATOM 689 N GLU A 45 -1.368 -3.639 9.660 1.00 0.00 N ATOM 690 CA GLU A 45 -2.726 -4.121 9.478 1.00 0.00 C ATOM 691 C GLU A 45 -2.717 -5.476 8.767 1.00 0.00 C ATOM 692 O GLU A 45 -3.385 -6.413 9.202 1.00 0.00 O ATOM 693 CB GLU A 45 -3.572 -3.103 8.710 1.00 0.00 C ATOM 694 CG GLU A 45 -5.064 -3.399 8.869 1.00 0.00 C ATOM 695 CD GLU A 45 -5.386 -4.834 8.445 1.00 0.00 C ATOM 696 OE1 GLU A 45 -5.695 -5.679 9.299 1.00 0.00 O ATOM 697 OE2 GLU A 45 -5.306 -5.060 7.177 1.00 0.00 O ATOM 0 H GLU A 45 -1.185 -2.718 9.260 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.179 -4.251 10.461 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.356 -2.098 9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.304 -3.125 7.654 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.360 -3.247 9.907 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.644 -2.699 8.267 1.00 0.00 H new ATOM 705 N PHE A 46 -1.954 -5.536 7.685 1.00 0.00 N ATOM 706 CA PHE A 46 -1.850 -6.760 6.911 1.00 0.00 C ATOM 707 C PHE A 46 -0.990 -7.797 7.635 1.00 0.00 C ATOM 708 O PHE A 46 -1.502 -8.809 8.111 1.00 0.00 O ATOM 709 CB PHE A 46 -1.179 -6.394 5.585 1.00 0.00 C ATOM 710 CG PHE A 46 -2.155 -6.211 4.422 1.00 0.00 C ATOM 711 CD1 PHE A 46 -3.272 -5.453 4.584 1.00 0.00 C ATOM 712 CD2 PHE A 46 -1.905 -6.807 3.225 1.00 0.00 C ATOM 713 CE1 PHE A 46 -4.178 -5.285 3.503 1.00 0.00 C ATOM 714 CE2 PHE A 46 -2.811 -6.639 2.144 1.00 0.00 C ATOM 715 CZ PHE A 46 -3.929 -5.880 2.306 1.00 0.00 C ATOM 0 H PHE A 46 -1.402 -4.756 7.327 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.840 -7.191 6.762 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.613 -5.472 5.719 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.463 -7.173 5.325 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.470 -4.979 5.534 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.017 -7.408 3.097 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.066 -4.684 3.632 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.613 -7.113 1.194 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.618 -5.750 1.484 1.00 0.00 H new ATOM 725 N ASP A 47 0.301 -7.510 7.695 1.00 0.00 N ATOM 726 CA ASP A 47 1.236 -8.406 8.355 1.00 0.00 C ATOM 727 C ASP A 47 0.549 -9.062 9.554 1.00 0.00 C ATOM 728 O ASP A 47 0.763 -10.243 9.827 1.00 0.00 O ATOM 729 CB ASP A 47 2.459 -7.642 8.870 1.00 0.00 C ATOM 730 CG ASP A 47 2.579 -7.567 10.393 1.00 0.00 C ATOM 731 OD1 ASP A 47 2.096 -6.616 11.026 1.00 0.00 O ATOM 732 OD2 ASP A 47 3.207 -8.553 10.940 1.00 0.00 O ATOM 0 H ASP A 47 0.722 -6.670 7.298 1.00 0.00 H new ATOM 0 HA ASP A 47 1.556 -9.154 7.629 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.358 -8.114 8.472 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.429 -6.628 8.472 1.00 0.00 H new ATOM 738 N LYS A 48 -0.262 -8.269 10.237 1.00 0.00 N ATOM 739 CA LYS A 48 -0.982 -8.758 11.401 1.00 0.00 C ATOM 740 C LYS A 48 -1.328 -10.235 11.196 1.00 0.00 C ATOM 741 O LYS A 48 -0.657 -11.113 11.734 1.00 0.00 O ATOM 742 CB LYS A 48 -2.199 -7.876 11.688 1.00 0.00 C ATOM 743 CG LYS A 48 -3.049 -8.464 12.815 1.00 0.00 C ATOM 744 CD LYS A 48 -2.973 -7.595 14.072 1.00 0.00 C ATOM 745 CE LYS A 48 -2.374 -8.377 15.244 1.00 0.00 C ATOM 746 NZ LYS A 48 -3.295 -9.455 15.671 1.00 0.00 N ATOM 0 H LYS A 48 -0.437 -7.291 10.007 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.356 -8.696 12.291 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.870 -6.874 11.961 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.803 -7.778 10.786 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.086 -8.546 12.488 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.706 -9.473 13.045 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.367 -6.712 13.872 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.970 -7.244 14.336 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.415 -8.804 14.952 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.182 -7.703 16.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.007 -9.807 16.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.264 -9.082 15.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.261 -10.234 14.982 1.00 0.00 H new ATOM 758 N LYS A 49 -2.376 -10.461 10.418 1.00 0.00 N ATOM 759 CA LYS A 49 -2.819 -11.817 10.137 1.00 0.00 C ATOM 760 C LYS A 49 -3.105 -11.955 8.640 1.00 0.00 C ATOM 761 O LYS A 49 -4.252 -12.144 8.238 1.00 0.00 O ATOM 762 CB LYS A 49 -4.009 -12.188 11.026 1.00 0.00 C ATOM 763 CG LYS A 49 -3.536 -12.800 12.346 1.00 0.00 C ATOM 764 CD LYS A 49 -4.699 -12.944 13.330 1.00 0.00 C ATOM 765 CE LYS A 49 -5.377 -14.308 13.184 1.00 0.00 C ATOM 766 NZ LYS A 49 -6.671 -14.323 13.902 1.00 0.00 N ATOM 0 H LYS A 49 -2.931 -9.730 9.974 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.033 -12.532 10.380 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.609 -11.300 11.227 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.652 -12.895 10.503 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.090 -13.777 12.159 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.759 -12.173 12.784 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.334 -12.823 14.350 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.427 -12.152 13.156 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.537 -14.530 12.129 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.726 -15.088 13.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.118 -15.256 13.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.510 -14.132 14.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.296 -13.591 13.507 1.00 0.00 H new ATOM 778 N TYR A 50 -2.041 -11.857 7.857 1.00 0.00 N ATOM 779 CA TYR A 50 -2.162 -11.968 6.412 1.00 0.00 C ATOM 780 C TYR A 50 -1.004 -12.777 5.825 1.00 0.00 C ATOM 781 O TYR A 50 -1.198 -13.897 5.357 1.00 0.00 O ATOM 782 CB TYR A 50 -2.096 -10.539 5.872 1.00 0.00 C ATOM 783 CG TYR A 50 -2.697 -10.373 4.474 1.00 0.00 C ATOM 784 CD1 TYR A 50 -2.197 -11.107 3.418 1.00 0.00 C ATOM 785 CD2 TYR A 50 -3.737 -9.489 4.271 1.00 0.00 C ATOM 786 CE1 TYR A 50 -2.763 -10.951 2.102 1.00 0.00 C ATOM 787 CE2 TYR A 50 -4.302 -9.334 2.956 1.00 0.00 C ATOM 788 CZ TYR A 50 -3.787 -10.073 1.936 1.00 0.00 C ATOM 789 OH TYR A 50 -4.321 -9.927 0.695 1.00 0.00 O ATOM 0 H TYR A 50 -1.091 -11.702 8.195 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.089 -12.474 6.143 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.619 -9.876 6.562 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.055 -10.218 5.849 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.382 -11.798 3.578 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.127 -8.914 5.098 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.382 -11.519 1.266 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.117 -8.646 2.783 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.023 -10.597 0.560 1.00 0.00 H new ATOM 799 N ASN A 51 0.177 -12.176 5.872 1.00 0.00 N ATOM 800 CA ASN A 51 1.367 -12.828 5.350 1.00 0.00 C ATOM 801 C ASN A 51 2.584 -11.938 5.609 1.00 0.00 C ATOM 802 O ASN A 51 3.114 -11.321 4.687 1.00 0.00 O ATOM 803 CB ASN A 51 1.257 -13.050 3.840 1.00 0.00 C ATOM 804 CG ASN A 51 2.084 -14.261 3.403 1.00 0.00 C ATOM 805 OD1 ASN A 51 2.588 -15.025 4.210 1.00 0.00 O ATOM 806 ND2 ASN A 51 2.193 -14.393 2.084 1.00 0.00 N ATOM 0 H ASN A 51 0.335 -11.247 6.262 1.00 0.00 H new ATOM 0 HA ASN A 51 1.470 -13.792 5.849 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.213 -13.200 3.566 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.601 -12.161 3.312 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.724 -15.170 1.691 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.746 -13.717 1.465 1.00 0.00 H new ATOM 813 N PRO A 52 3.004 -11.900 6.903 1.00 0.00 N ATOM 814 CA PRO A 52 4.149 -11.096 7.295 1.00 0.00 C ATOM 815 C PRO A 52 5.458 -11.753 6.853 1.00 0.00 C ATOM 816 O PRO A 52 5.493 -12.952 6.583 1.00 0.00 O ATOM 817 CB PRO A 52 4.034 -10.956 8.805 1.00 0.00 C ATOM 818 CG PRO A 52 3.098 -12.066 9.254 1.00 0.00 C ATOM 819 CD PRO A 52 2.402 -12.619 8.021 1.00 0.00 C ATOM 0 HA PRO A 52 4.158 -10.116 6.817 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.010 -11.051 9.282 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.639 -9.977 9.078 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.656 -12.853 9.762 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.366 -11.683 9.966 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.555 -13.694 7.929 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.326 -12.453 8.066 1.00 0.00 H new ATOM 827 N THR A 53 6.502 -10.939 6.794 1.00 0.00 N ATOM 828 CA THR A 53 6.372 -9.531 7.131 1.00 0.00 C ATOM 829 C THR A 53 6.250 -8.688 5.860 1.00 0.00 C ATOM 830 O THR A 53 6.702 -9.099 4.792 1.00 0.00 O ATOM 831 CB THR A 53 7.566 -9.144 8.005 1.00 0.00 C ATOM 832 OG1 THR A 53 7.350 -7.766 8.296 1.00 0.00 O ATOM 833 CG2 THR A 53 8.887 -9.158 7.232 1.00 0.00 C ATOM 0 H THR A 53 7.441 -11.227 6.518 1.00 0.00 H new ATOM 0 HA THR A 53 5.460 -9.341 7.697 1.00 0.00 H new ATOM 0 HB THR A 53 7.633 -9.828 8.851 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.078 -7.433 8.861 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.702 -8.876 7.899 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.069 -10.159 6.840 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.833 -8.449 6.406 1.00 0.00 H new ATOM 841 N TRP A 54 5.637 -7.524 6.018 1.00 0.00 N ATOM 842 CA TRP A 54 5.451 -6.619 4.896 1.00 0.00 C ATOM 843 C TRP A 54 6.398 -5.432 5.084 1.00 0.00 C ATOM 844 O TRP A 54 6.988 -5.266 6.150 1.00 0.00 O ATOM 845 CB TRP A 54 3.984 -6.201 4.768 1.00 0.00 C ATOM 846 CG TRP A 54 3.018 -7.370 4.573 1.00 0.00 C ATOM 847 CD1 TRP A 54 2.633 -8.281 5.476 1.00 0.00 C ATOM 848 CD2 TRP A 54 2.326 -7.719 3.355 1.00 0.00 C ATOM 849 NE1 TRP A 54 1.747 -9.189 4.933 1.00 0.00 N ATOM 850 CE2 TRP A 54 1.555 -8.837 3.602 1.00 0.00 C ATOM 851 CE3 TRP A 54 2.351 -7.112 2.088 1.00 0.00 C ATOM 852 CZ2 TRP A 54 0.750 -9.443 2.630 1.00 0.00 C ATOM 853 CZ3 TRP A 54 1.542 -7.729 1.127 1.00 0.00 C ATOM 854 CH2 TRP A 54 0.759 -8.854 1.359 1.00 0.00 C ATOM 0 H TRP A 54 5.263 -7.187 6.905 1.00 0.00 H new ATOM 0 HA TRP A 54 5.696 -7.113 3.956 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.695 -5.650 5.663 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.884 -5.516 3.926 1.00 0.00 H new ATOM 0 HD1 TRP A 54 2.973 -8.302 6.501 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.313 -9.974 5.419 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.948 -6.238 1.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.154 -10.317 2.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.525 -7.301 0.136 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.160 -9.272 0.563 1.00 0.00 H new ATOM 865 N HIS A 55 6.514 -4.637 4.030 1.00 0.00 N ATOM 866 CA HIS A 55 7.378 -3.469 4.065 1.00 0.00 C ATOM 867 C HIS A 55 6.702 -2.306 3.336 1.00 0.00 C ATOM 868 O HIS A 55 6.453 -2.384 2.134 1.00 0.00 O ATOM 869 CB HIS A 55 8.761 -3.800 3.498 1.00 0.00 C ATOM 870 CG HIS A 55 9.434 -4.975 4.167 1.00 0.00 C ATOM 871 ND1 HIS A 55 10.475 -4.828 5.068 1.00 0.00 N ATOM 872 CD2 HIS A 55 9.205 -6.314 4.060 1.00 0.00 C ATOM 873 CE1 HIS A 55 10.847 -6.032 5.476 1.00 0.00 C ATOM 874 NE2 HIS A 55 10.059 -6.951 4.849 1.00 0.00 N ATOM 0 H HIS A 55 6.024 -4.779 3.147 1.00 0.00 H new ATOM 0 HA HIS A 55 7.536 -3.161 5.099 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.665 -4.008 2.432 1.00 0.00 H new ATOM 0 HB3 HIS A 55 9.402 -2.924 3.596 1.00 0.00 H new ATOM 0 HD1 HIS A 55 10.885 -3.943 5.367 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.454 -6.778 3.437 1.00 0.00 H new ATOM 0 HE1 HIS A 55 11.636 -6.248 6.181 1.00 0.00 H new ATOM 882 N CYS A 56 6.424 -1.256 4.094 1.00 0.00 N ATOM 883 CA CYS A 56 5.781 -0.079 3.535 1.00 0.00 C ATOM 884 C CYS A 56 6.775 1.081 3.588 1.00 0.00 C ATOM 885 O CYS A 56 7.467 1.265 4.589 1.00 0.00 O ATOM 886 CB CYS A 56 4.476 0.252 4.264 1.00 0.00 C ATOM 887 SG CYS A 56 3.318 1.088 3.122 1.00 0.00 S ATOM 0 H CYS A 56 6.632 -1.196 5.091 1.00 0.00 H new ATOM 0 HA CYS A 56 5.503 -0.270 2.499 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.023 -0.661 4.650 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.681 0.893 5.121 1.00 0.00 H new ATOM 0 HG CYS A 56 3.855 2.190 2.689 1.00 0.00 H new ATOM 893 N ILE A 57 6.812 1.837 2.500 1.00 0.00 N ATOM 894 CA ILE A 57 7.710 2.976 2.410 1.00 0.00 C ATOM 895 C ILE A 57 6.926 4.203 1.944 1.00 0.00 C ATOM 896 O ILE A 57 5.937 4.075 1.223 1.00 0.00 O ATOM 897 CB ILE A 57 8.913 2.641 1.525 1.00 0.00 C ATOM 898 CG1 ILE A 57 9.869 1.684 2.237 1.00 0.00 C ATOM 899 CG2 ILE A 57 9.618 3.915 1.055 1.00 0.00 C ATOM 900 CD1 ILE A 57 9.237 0.303 2.410 1.00 0.00 C ATOM 0 H ILE A 57 6.235 1.683 1.673 1.00 0.00 H new ATOM 0 HA ILE A 57 8.122 3.215 3.391 1.00 0.00 H new ATOM 0 HB ILE A 57 8.550 2.127 0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 57 10.793 1.596 1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 57 10.136 2.090 3.213 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.469 3.650 0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 57 8.921 4.526 0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.967 4.478 1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 57 9.939 -0.357 2.919 1.00 0.00 H new ATOM 0 HD12 ILE A 57 8.327 0.391 3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.994 -0.111 1.431 1.00 0.00 H new ATOM 912 N VAL A 58 7.395 5.365 2.375 1.00 0.00 N ATOM 913 CA VAL A 58 6.749 6.615 2.010 1.00 0.00 C ATOM 914 C VAL A 58 7.813 7.629 1.587 1.00 0.00 C ATOM 915 O VAL A 58 8.443 8.262 2.432 1.00 0.00 O ATOM 916 CB VAL A 58 5.878 7.109 3.166 1.00 0.00 C ATOM 917 CG1 VAL A 58 5.032 8.310 2.740 1.00 0.00 C ATOM 918 CG2 VAL A 58 4.998 5.983 3.710 1.00 0.00 C ATOM 0 H VAL A 58 8.215 5.467 2.974 1.00 0.00 H new ATOM 0 HA VAL A 58 6.084 6.468 1.159 1.00 0.00 H new ATOM 0 HB VAL A 58 6.540 7.433 3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.422 8.642 3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.686 9.122 2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.384 8.023 1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.389 6.361 4.531 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.348 5.613 2.917 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.629 5.170 4.071 1.00 0.00 H new ATOM 928 N GLY A 59 7.980 7.751 0.279 1.00 0.00 N ATOM 929 CA GLY A 59 8.957 8.678 -0.268 1.00 0.00 C ATOM 930 C GLY A 59 8.351 9.511 -1.398 1.00 0.00 C ATOM 931 O GLY A 59 7.735 10.547 -1.152 1.00 0.00 O ATOM 0 H GLY A 59 7.455 7.223 -0.419 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.319 9.338 0.521 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.819 8.125 -0.641 1.00 0.00 H new ATOM 935 N ARG A 60 8.546 9.026 -2.617 1.00 0.00 N ATOM 936 CA ARG A 60 8.025 9.713 -3.787 1.00 0.00 C ATOM 937 C ARG A 60 7.845 8.728 -4.944 1.00 0.00 C ATOM 938 O ARG A 60 6.831 8.759 -5.638 1.00 0.00 O ATOM 939 CB ARG A 60 8.961 10.840 -4.227 1.00 0.00 C ATOM 940 CG ARG A 60 8.244 12.190 -4.204 1.00 0.00 C ATOM 941 CD ARG A 60 9.059 13.258 -4.936 1.00 0.00 C ATOM 942 NE ARG A 60 8.158 14.145 -5.705 1.00 0.00 N ATOM 943 CZ ARG A 60 8.564 15.256 -6.355 1.00 0.00 C ATOM 944 NH1 ARG A 60 9.861 15.629 -6.333 1.00 0.00 N ATOM 945 NH2 ARG A 60 7.672 15.976 -7.011 1.00 0.00 N ATOM 0 H ARG A 60 9.057 8.167 -2.819 1.00 0.00 H new ATOM 0 HA ARG A 60 7.060 10.143 -3.517 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.829 10.874 -3.569 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.331 10.638 -5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.264 12.093 -4.670 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.077 12.499 -3.172 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.634 13.844 -4.218 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.775 12.784 -5.607 1.00 0.00 H new ATOM 0 HE ARG A 60 7.168 13.902 -5.746 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.544 15.070 -5.822 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.158 16.470 -6.827 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.693 15.690 -7.021 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.962 16.818 -7.507 1.00 0.00 H new ATOM 958 N ASN A 61 8.846 7.877 -5.116 1.00 0.00 N ATOM 959 CA ASN A 61 8.811 6.884 -6.177 1.00 0.00 C ATOM 960 C ASN A 61 9.309 5.544 -5.631 1.00 0.00 C ATOM 961 O ASN A 61 9.415 5.363 -4.419 1.00 0.00 O ATOM 962 CB ASN A 61 9.720 7.290 -7.339 1.00 0.00 C ATOM 963 CG ASN A 61 9.145 6.814 -8.674 1.00 0.00 C ATOM 964 OD1 ASN A 61 9.863 5.863 -9.264 1.00 0.00 O flip ATOM 965 ND2 ASN A 61 8.118 7.280 -9.139 1.00 0.00 N flip ATOM 0 H ASN A 61 9.686 7.854 -4.538 1.00 0.00 H new ATOM 0 HA ASN A 61 7.784 6.805 -6.533 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.836 8.374 -7.354 1.00 0.00 H new ATOM 0 HB3 ASN A 61 10.713 6.865 -7.194 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.614 8.009 -8.634 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.763 6.940 -10.033 1.00 0.00 H new ATOM 972 N PHE A 62 9.602 4.639 -6.554 1.00 0.00 N ATOM 973 CA PHE A 62 10.088 3.321 -6.181 1.00 0.00 C ATOM 974 C PHE A 62 11.188 2.852 -7.134 1.00 0.00 C ATOM 975 O PHE A 62 11.946 3.664 -7.661 1.00 0.00 O ATOM 976 CB PHE A 62 8.898 2.363 -6.281 1.00 0.00 C ATOM 977 CG PHE A 62 8.475 2.046 -7.718 1.00 0.00 C ATOM 978 CD1 PHE A 62 7.949 3.023 -8.503 1.00 0.00 C ATOM 979 CD2 PHE A 62 8.624 0.786 -8.209 1.00 0.00 C ATOM 980 CE1 PHE A 62 7.556 2.729 -9.836 1.00 0.00 C ATOM 981 CE2 PHE A 62 8.232 0.492 -9.541 1.00 0.00 C ATOM 982 CZ PHE A 62 7.705 1.469 -10.327 1.00 0.00 C ATOM 0 H PHE A 62 9.512 4.792 -7.558 1.00 0.00 H new ATOM 0 HA PHE A 62 10.506 3.348 -5.175 1.00 0.00 H new ATOM 0 HB2 PHE A 62 9.150 1.432 -5.773 1.00 0.00 H new ATOM 0 HB3 PHE A 62 8.050 2.796 -5.750 1.00 0.00 H new ATOM 0 HD1 PHE A 62 7.830 4.023 -8.113 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.041 0.009 -7.585 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.139 3.506 -10.460 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.352 -0.508 -9.931 1.00 0.00 H new ATOM 0 HZ PHE A 62 7.405 1.245 -11.340 1.00 0.00 H new ATOM 992 N GLY A 63 11.241 1.542 -7.328 1.00 0.00 N ATOM 993 CA GLY A 63 12.235 0.955 -8.208 1.00 0.00 C ATOM 994 C GLY A 63 12.782 -0.350 -7.625 1.00 0.00 C ATOM 995 O GLY A 63 13.942 -0.417 -7.221 1.00 0.00 O ATOM 0 H GLY A 63 10.610 0.871 -6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 63 11.793 0.763 -9.186 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.052 1.660 -8.361 1.00 0.00 H new ATOM 999 N SER A 64 11.920 -1.356 -7.600 1.00 0.00 N ATOM 1000 CA SER A 64 12.301 -2.656 -7.073 1.00 0.00 C ATOM 1001 C SER A 64 11.252 -3.702 -7.453 1.00 0.00 C ATOM 1002 O SER A 64 10.278 -3.900 -6.732 1.00 0.00 O ATOM 1003 CB SER A 64 12.473 -2.605 -5.554 1.00 0.00 C ATOM 1004 OG SER A 64 13.844 -2.674 -5.170 1.00 0.00 O ATOM 0 H SER A 64 10.959 -1.297 -7.936 1.00 0.00 H new ATOM 0 HA SER A 64 13.259 -2.935 -7.511 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.035 -1.684 -5.170 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.927 -3.431 -5.099 1.00 0.00 H new ATOM 0 HG SER A 64 14.360 -2.015 -5.680 1.00 0.00 H new ATOM 1010 N TYR A 65 11.489 -4.346 -8.588 1.00 0.00 N ATOM 1011 CA TYR A 65 10.578 -5.368 -9.074 1.00 0.00 C ATOM 1012 C TYR A 65 11.269 -6.281 -10.088 1.00 0.00 C ATOM 1013 O TYR A 65 11.222 -7.504 -9.961 1.00 0.00 O ATOM 1014 CB TYR A 65 9.439 -4.620 -9.770 1.00 0.00 C ATOM 1015 CG TYR A 65 8.579 -5.503 -10.676 1.00 0.00 C ATOM 1016 CD1 TYR A 65 7.735 -6.443 -10.123 1.00 0.00 C ATOM 1017 CD2 TYR A 65 8.646 -5.357 -12.047 1.00 0.00 C ATOM 1018 CE1 TYR A 65 6.925 -7.274 -10.977 1.00 0.00 C ATOM 1019 CE2 TYR A 65 7.837 -6.188 -12.901 1.00 0.00 C ATOM 1020 CZ TYR A 65 7.015 -7.105 -12.323 1.00 0.00 C ATOM 1021 OH TYR A 65 6.252 -7.890 -13.129 1.00 0.00 O ATOM 0 H TYR A 65 12.299 -4.179 -9.184 1.00 0.00 H new ATOM 0 HA TYR A 65 10.227 -5.992 -8.252 1.00 0.00 H new ATOM 0 HB2 TYR A 65 8.801 -4.164 -9.013 1.00 0.00 H new ATOM 0 HB3 TYR A 65 9.860 -3.809 -10.364 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.681 -6.556 -9.050 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.305 -4.619 -12.480 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.261 -8.015 -10.557 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.882 -6.086 -13.975 1.00 0.00 H new ATOM 0 HH TYR A 65 6.419 -7.657 -14.066 1.00 0.00 H new ATOM 1031 N VAL A 66 11.892 -5.653 -11.073 1.00 0.00 N ATOM 1032 CA VAL A 66 12.592 -6.394 -12.110 1.00 0.00 C ATOM 1033 C VAL A 66 14.068 -6.522 -11.731 1.00 0.00 C ATOM 1034 O VAL A 66 14.948 -6.279 -12.556 1.00 0.00 O ATOM 1035 CB VAL A 66 12.379 -5.723 -13.468 1.00 0.00 C ATOM 1036 CG1 VAL A 66 12.872 -4.275 -13.446 1.00 0.00 C ATOM 1037 CG2 VAL A 66 13.059 -6.517 -14.584 1.00 0.00 C ATOM 0 H VAL A 66 11.927 -4.639 -11.176 1.00 0.00 H new ATOM 0 HA VAL A 66 12.190 -7.403 -12.195 1.00 0.00 H new ATOM 0 HB VAL A 66 11.308 -5.710 -13.672 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.709 -3.820 -14.423 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.323 -3.715 -12.689 1.00 0.00 H new ATOM 0 HG13 VAL A 66 13.936 -4.256 -13.210 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.892 -6.018 -15.539 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.130 -6.577 -14.388 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.641 -7.523 -14.622 1.00 0.00 H new ATOM 1047 N THR A 67 14.295 -6.902 -10.482 1.00 0.00 N ATOM 1048 CA THR A 67 15.651 -7.065 -9.985 1.00 0.00 C ATOM 1049 C THR A 67 15.674 -8.053 -8.815 1.00 0.00 C ATOM 1050 O THR A 67 16.296 -9.110 -8.904 1.00 0.00 O ATOM 1051 CB THR A 67 16.191 -5.680 -9.622 1.00 0.00 C ATOM 1052 OG1 THR A 67 16.494 -5.086 -10.880 1.00 0.00 O ATOM 1053 CG2 THR A 67 17.542 -5.748 -8.905 1.00 0.00 C ATOM 0 H THR A 67 13.563 -7.102 -9.800 1.00 0.00 H new ATOM 0 HA THR A 67 16.303 -7.494 -10.746 1.00 0.00 H new ATOM 0 HB THR A 67 15.470 -5.163 -8.988 1.00 0.00 H new ATOM 0 HG1 THR A 67 16.258 -5.707 -11.600 1.00 0.00 H new ATOM 0 HG21 THR A 67 17.880 -4.739 -8.670 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.436 -6.319 -7.983 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.273 -6.234 -9.551 1.00 0.00 H new ATOM 1061 N HIS A 68 14.989 -7.671 -7.747 1.00 0.00 N ATOM 1062 CA HIS A 68 14.923 -8.509 -6.562 1.00 0.00 C ATOM 1063 C HIS A 68 13.636 -9.336 -6.588 1.00 0.00 C ATOM 1064 O HIS A 68 13.635 -10.503 -6.198 1.00 0.00 O ATOM 1065 CB HIS A 68 15.061 -7.666 -5.293 1.00 0.00 C ATOM 1066 CG HIS A 68 16.205 -8.085 -4.397 1.00 0.00 C ATOM 1067 ND1 HIS A 68 16.149 -9.202 -3.583 1.00 0.00 N ATOM 1068 CD2 HIS A 68 17.431 -7.524 -4.200 1.00 0.00 C ATOM 1069 CE1 HIS A 68 17.296 -9.298 -2.928 1.00 0.00 C ATOM 1070 NE2 HIS A 68 18.090 -8.258 -3.312 1.00 0.00 N ATOM 0 H HIS A 68 14.475 -6.793 -7.678 1.00 0.00 H new ATOM 0 HA HIS A 68 15.761 -9.206 -6.558 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.198 -6.622 -5.576 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.131 -7.724 -4.728 1.00 0.00 H new ATOM 0 HD2 HIS A 68 17.803 -6.633 -4.684 1.00 0.00 H new ATOM 0 HE1 HIS A 68 17.557 -10.066 -2.215 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.034 -8.074 -2.973 1.00 0.00 H new ATOM 1078 N GLU A 69 12.572 -8.699 -7.052 1.00 0.00 N ATOM 1079 CA GLU A 69 11.281 -9.361 -7.135 1.00 0.00 C ATOM 1080 C GLU A 69 10.720 -9.606 -5.733 1.00 0.00 C ATOM 1081 O GLU A 69 11.474 -9.701 -4.766 1.00 0.00 O ATOM 1082 CB GLU A 69 11.386 -10.670 -7.921 1.00 0.00 C ATOM 1083 CG GLU A 69 10.752 -10.530 -9.305 1.00 0.00 C ATOM 1084 CD GLU A 69 9.538 -11.452 -9.449 1.00 0.00 C ATOM 1085 OE1 GLU A 69 8.502 -11.216 -8.810 1.00 0.00 O ATOM 1086 OE2 GLU A 69 9.698 -12.442 -10.261 1.00 0.00 O ATOM 0 H GLU A 69 12.577 -7.731 -7.375 1.00 0.00 H new ATOM 0 HA GLU A 69 10.593 -8.708 -7.671 1.00 0.00 H new ATOM 0 HB2 GLU A 69 12.433 -10.954 -8.024 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.892 -11.470 -7.370 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.449 -9.496 -9.467 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.488 -10.770 -10.072 1.00 0.00 H new ATOM 1094 N THR A 70 9.400 -9.703 -5.668 1.00 0.00 N ATOM 1095 CA THR A 70 8.728 -9.935 -4.400 1.00 0.00 C ATOM 1096 C THR A 70 7.532 -10.868 -4.594 1.00 0.00 C ATOM 1097 O THR A 70 7.566 -11.762 -5.438 1.00 0.00 O ATOM 1098 CB THR A 70 8.351 -8.575 -3.809 1.00 0.00 C ATOM 1099 OG1 THR A 70 7.393 -8.053 -4.726 1.00 0.00 O ATOM 1100 CG2 THR A 70 9.504 -7.573 -3.864 1.00 0.00 C ATOM 0 H THR A 70 8.778 -9.625 -6.473 1.00 0.00 H new ATOM 0 HA THR A 70 9.383 -10.442 -3.691 1.00 0.00 H new ATOM 0 HB THR A 70 8.032 -8.704 -2.775 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.512 -8.026 -4.298 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.183 -6.625 -3.432 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.351 -7.961 -3.298 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.801 -7.417 -4.901 1.00 0.00 H new ATOM 1108 N ARG A 71 6.499 -10.628 -3.798 1.00 0.00 N ATOM 1109 CA ARG A 71 5.294 -11.435 -3.871 1.00 0.00 C ATOM 1110 C ARG A 71 4.064 -10.539 -4.022 1.00 0.00 C ATOM 1111 O ARG A 71 3.458 -10.484 -5.090 1.00 0.00 O ATOM 1112 CB ARG A 71 5.134 -12.302 -2.619 1.00 0.00 C ATOM 1113 CG ARG A 71 6.027 -13.541 -2.694 1.00 0.00 C ATOM 1114 CD ARG A 71 7.035 -13.562 -1.543 1.00 0.00 C ATOM 1115 NE ARG A 71 8.287 -14.217 -1.978 1.00 0.00 N ATOM 1116 CZ ARG A 71 9.219 -14.706 -1.132 1.00 0.00 C ATOM 1117 NH1 ARG A 71 9.045 -14.618 0.204 1.00 0.00 N ATOM 1118 NH2 ARG A 71 10.303 -15.271 -1.631 1.00 0.00 N ATOM 0 H ARG A 71 6.473 -9.885 -3.099 1.00 0.00 H new ATOM 0 HA ARG A 71 5.383 -12.086 -4.741 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.388 -11.719 -1.734 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.093 -12.606 -2.513 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.411 -14.440 -2.659 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.557 -13.554 -3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.243 -12.544 -1.213 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.614 -14.094 -0.690 1.00 0.00 H new ATOM 0 HE ARG A 71 8.457 -14.305 -2.980 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.205 -14.180 0.581 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.754 -14.990 0.836 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.427 -15.333 -2.642 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.017 -15.645 -1.006 1.00 0.00 H new ATOM 1131 N HIS A 72 3.730 -9.857 -2.935 1.00 0.00 N ATOM 1132 CA HIS A 72 2.583 -8.965 -2.934 1.00 0.00 C ATOM 1133 C HIS A 72 3.054 -7.522 -2.738 1.00 0.00 C ATOM 1134 O HIS A 72 3.553 -7.168 -1.671 1.00 0.00 O ATOM 1135 CB HIS A 72 1.556 -9.401 -1.886 1.00 0.00 C ATOM 1136 CG HIS A 72 0.136 -9.018 -2.221 1.00 0.00 C ATOM 1137 ND1 HIS A 72 -0.221 -7.745 -2.631 1.00 0.00 N ATOM 1138 CD2 HIS A 72 -1.013 -9.753 -2.203 1.00 0.00 C ATOM 1139 CE1 HIS A 72 -1.528 -7.726 -2.847 1.00 0.00 C ATOM 1140 NE2 HIS A 72 -2.017 -8.971 -2.580 1.00 0.00 N ATOM 0 H HIS A 72 4.234 -9.905 -2.049 1.00 0.00 H new ATOM 0 HA HIS A 72 2.077 -9.017 -3.898 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.611 -10.483 -1.767 1.00 0.00 H new ATOM 0 HB3 HIS A 72 1.823 -8.961 -0.925 1.00 0.00 H new ATOM 0 HD1 HIS A 72 0.414 -6.956 -2.747 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.092 -10.795 -1.929 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.105 -6.874 -3.177 1.00 0.00 H new ATOM 1148 N PHE A 73 2.878 -6.730 -3.785 1.00 0.00 N ATOM 1149 CA PHE A 73 3.280 -5.333 -3.742 1.00 0.00 C ATOM 1150 C PHE A 73 2.257 -4.447 -4.455 1.00 0.00 C ATOM 1151 O PHE A 73 1.591 -4.890 -5.388 1.00 0.00 O ATOM 1152 CB PHE A 73 4.621 -5.230 -4.468 1.00 0.00 C ATOM 1153 CG PHE A 73 4.712 -6.088 -5.732 1.00 0.00 C ATOM 1154 CD1 PHE A 73 4.765 -7.443 -5.633 1.00 0.00 C ATOM 1155 CD2 PHE A 73 4.737 -5.494 -6.956 1.00 0.00 C ATOM 1156 CE1 PHE A 73 4.849 -8.238 -6.806 1.00 0.00 C ATOM 1157 CE2 PHE A 73 4.821 -6.289 -8.130 1.00 0.00 C ATOM 1158 CZ PHE A 73 4.876 -7.645 -8.030 1.00 0.00 C ATOM 0 H PHE A 73 2.463 -7.028 -4.668 1.00 0.00 H new ATOM 0 HA PHE A 73 3.352 -4.998 -2.707 1.00 0.00 H new ATOM 0 HB2 PHE A 73 4.799 -4.188 -4.735 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.417 -5.524 -3.784 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.743 -7.915 -4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.693 -4.418 -7.035 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.891 -9.314 -6.727 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.841 -5.818 -9.101 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.941 -8.250 -8.922 1.00 0.00 H new ATOM 1168 N ILE A 74 2.166 -3.210 -3.989 1.00 0.00 N ATOM 1169 CA ILE A 74 1.236 -2.257 -4.570 1.00 0.00 C ATOM 1170 C ILE A 74 1.648 -0.839 -4.169 1.00 0.00 C ATOM 1171 O ILE A 74 1.616 -0.490 -2.991 1.00 0.00 O ATOM 1172 CB ILE A 74 -0.203 -2.611 -4.188 1.00 0.00 C ATOM 1173 CG1 ILE A 74 -1.086 -1.362 -4.161 1.00 0.00 C ATOM 1174 CG2 ILE A 74 -0.246 -3.372 -2.861 1.00 0.00 C ATOM 1175 CD1 ILE A 74 -0.872 -0.513 -5.415 1.00 0.00 C ATOM 0 H ILE A 74 2.722 -2.846 -3.215 1.00 0.00 H new ATOM 0 HA ILE A 74 1.273 -2.304 -5.658 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.607 -3.274 -4.953 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.134 -1.654 -4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.859 -0.771 -3.274 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.280 -3.612 -2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.328 -4.294 -2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.183 -2.753 -2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.511 0.369 -5.371 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.171 -0.202 -5.470 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.123 -1.100 -6.299 1.00 0.00 H new ATOM 1187 N TYR A 75 2.024 -0.061 -5.173 1.00 0.00 N ATOM 1188 CA TYR A 75 2.442 1.312 -4.940 1.00 0.00 C ATOM 1189 C TYR A 75 1.425 2.299 -5.514 1.00 0.00 C ATOM 1190 O TYR A 75 1.151 2.288 -6.714 1.00 0.00 O ATOM 1191 CB TYR A 75 3.771 1.479 -5.680 1.00 0.00 C ATOM 1192 CG TYR A 75 4.188 2.937 -5.887 1.00 0.00 C ATOM 1193 CD1 TYR A 75 3.786 3.903 -4.989 1.00 0.00 C ATOM 1194 CD2 TYR A 75 4.965 3.283 -6.973 1.00 0.00 C ATOM 1195 CE1 TYR A 75 4.179 5.275 -5.184 1.00 0.00 C ATOM 1196 CE2 TYR A 75 5.358 4.655 -7.169 1.00 0.00 C ATOM 1197 CZ TYR A 75 4.945 5.584 -6.265 1.00 0.00 C ATOM 1198 OH TYR A 75 5.316 6.880 -6.450 1.00 0.00 O ATOM 0 H TYR A 75 2.048 -0.354 -6.150 1.00 0.00 H new ATOM 0 HA TYR A 75 2.530 1.511 -3.872 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.553 0.964 -5.122 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.698 0.991 -6.652 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.177 3.631 -4.140 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.279 2.526 -7.676 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.872 6.041 -4.488 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.967 4.940 -8.014 1.00 0.00 H new ATOM 0 HH TYR A 75 5.856 7.178 -5.688 1.00 0.00 H new ATOM 1208 N PHE A 76 0.892 3.130 -4.631 1.00 0.00 N ATOM 1209 CA PHE A 76 -0.090 4.123 -5.034 1.00 0.00 C ATOM 1210 C PHE A 76 0.106 5.432 -4.266 1.00 0.00 C ATOM 1211 O PHE A 76 1.009 5.541 -3.439 1.00 0.00 O ATOM 1212 CB PHE A 76 -1.469 3.550 -4.700 1.00 0.00 C ATOM 1213 CG PHE A 76 -1.590 3.014 -3.273 1.00 0.00 C ATOM 1214 CD1 PHE A 76 -0.866 1.929 -2.891 1.00 0.00 C ATOM 1215 CD2 PHE A 76 -2.423 3.624 -2.386 1.00 0.00 C ATOM 1216 CE1 PHE A 76 -0.979 1.431 -1.564 1.00 0.00 C ATOM 1217 CE2 PHE A 76 -2.536 3.126 -1.062 1.00 0.00 C ATOM 1218 CZ PHE A 76 -1.811 2.040 -0.679 1.00 0.00 C ATOM 0 H PHE A 76 1.121 3.136 -3.637 1.00 0.00 H new ATOM 0 HA PHE A 76 0.014 4.339 -6.097 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.220 4.326 -4.851 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.696 2.746 -5.400 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.205 1.445 -3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.998 4.487 -2.690 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.404 0.569 -1.260 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.198 3.609 -0.358 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.897 1.662 0.329 1.00 0.00 H new ATOM 1228 N TYR A 77 -0.755 6.392 -4.567 1.00 0.00 N ATOM 1229 CA TYR A 77 -0.689 7.689 -3.916 1.00 0.00 C ATOM 1230 C TYR A 77 -1.886 7.898 -2.988 1.00 0.00 C ATOM 1231 O TYR A 77 -3.030 7.931 -3.441 1.00 0.00 O ATOM 1232 CB TYR A 77 -0.741 8.728 -5.037 1.00 0.00 C ATOM 1233 CG TYR A 77 -0.089 10.065 -4.678 1.00 0.00 C ATOM 1234 CD1 TYR A 77 1.216 10.097 -4.230 1.00 0.00 C ATOM 1235 CD2 TYR A 77 -0.806 11.238 -4.803 1.00 0.00 C ATOM 1236 CE1 TYR A 77 1.830 11.355 -3.892 1.00 0.00 C ATOM 1237 CE2 TYR A 77 -0.191 12.495 -4.464 1.00 0.00 C ATOM 1238 CZ TYR A 77 1.096 12.492 -4.025 1.00 0.00 C ATOM 1239 OH TYR A 77 1.675 13.681 -3.706 1.00 0.00 O ATOM 0 H TYR A 77 -1.503 6.298 -5.254 1.00 0.00 H new ATOM 0 HA TYR A 77 0.216 7.770 -3.314 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.248 8.320 -5.919 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.782 8.904 -5.307 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.777 9.179 -4.133 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.827 11.213 -5.155 1.00 0.00 H new ATOM 0 HE1 TYR A 77 2.851 11.395 -3.541 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.740 13.420 -4.556 1.00 0.00 H new ATOM 0 HH TYR A 77 2.235 13.569 -2.909 1.00 0.00 H new ATOM 1249 N LEU A 78 -1.585 8.035 -1.705 1.00 0.00 N ATOM 1250 CA LEU A 78 -2.623 8.240 -0.710 1.00 0.00 C ATOM 1251 C LEU A 78 -2.825 9.739 -0.491 1.00 0.00 C ATOM 1252 O LEU A 78 -1.917 10.434 -0.037 1.00 0.00 O ATOM 1253 CB LEU A 78 -2.295 7.471 0.573 1.00 0.00 C ATOM 1254 CG LEU A 78 -2.665 5.987 0.578 1.00 0.00 C ATOM 1255 CD1 LEU A 78 -2.391 5.358 1.946 1.00 0.00 C ATOM 1256 CD2 LEU A 78 -4.114 5.781 0.134 1.00 0.00 C ATOM 0 H LEU A 78 -0.636 8.008 -1.332 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.573 7.838 -1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.225 7.559 0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.807 7.956 1.404 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.030 5.475 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.663 4.303 1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.332 5.455 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.983 5.868 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.351 4.717 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.782 6.309 0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.244 6.170 -0.876 1.00 0.00 H new ATOM 1268 N GLY A 79 -4.024 10.197 -0.827 1.00 0.00 N ATOM 1269 CA GLY A 79 -4.357 11.602 -0.674 1.00 0.00 C ATOM 1270 C GLY A 79 -3.412 12.483 -1.497 1.00 0.00 C ATOM 1271 O GLY A 79 -3.756 12.908 -2.599 1.00 0.00 O ATOM 0 H GLY A 79 -4.775 9.619 -1.204 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.386 11.772 -0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.297 11.881 0.378 1.00 0.00 H new ATOM 1275 N GLN A 80 -2.242 12.732 -0.929 1.00 0.00 N ATOM 1276 CA GLN A 80 -1.246 13.553 -1.594 1.00 0.00 C ATOM 1277 C GLN A 80 0.163 13.109 -1.194 1.00 0.00 C ATOM 1278 O GLN A 80 1.057 13.939 -1.038 1.00 0.00 O ATOM 1279 CB GLN A 80 -1.463 15.035 -1.284 1.00 0.00 C ATOM 1280 CG GLN A 80 -2.194 15.735 -2.433 1.00 0.00 C ATOM 1281 CD GLN A 80 -3.011 16.922 -1.921 1.00 0.00 C ATOM 1282 OE1 GLN A 80 -2.625 17.623 -0.999 1.00 0.00 O ATOM 1283 NE2 GLN A 80 -4.158 17.109 -2.568 1.00 0.00 N ATOM 0 H GLN A 80 -1.961 12.379 -0.014 1.00 0.00 H new ATOM 0 HA GLN A 80 -1.354 13.421 -2.670 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -2.040 15.137 -0.365 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.502 15.519 -1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.471 16.079 -3.173 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -2.852 15.026 -2.936 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -4.421 16.485 -3.331 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.775 17.876 -2.301 1.00 0.00 H new ATOM 1292 N VAL A 81 0.314 11.802 -1.039 1.00 0.00 N ATOM 1293 CA VAL A 81 1.599 11.238 -0.660 1.00 0.00 C ATOM 1294 C VAL A 81 1.780 9.883 -1.348 1.00 0.00 C ATOM 1295 O VAL A 81 0.806 9.268 -1.781 1.00 0.00 O ATOM 1296 CB VAL A 81 1.704 11.153 0.864 1.00 0.00 C ATOM 1297 CG1 VAL A 81 0.754 10.090 1.421 1.00 0.00 C ATOM 1298 CG2 VAL A 81 3.145 10.883 1.300 1.00 0.00 C ATOM 0 H VAL A 81 -0.431 11.118 -1.169 1.00 0.00 H new ATOM 0 HA VAL A 81 2.412 11.883 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 81 1.405 12.117 1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.849 10.050 2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.272 10.344 1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.008 9.118 0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.192 10.827 2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.483 9.939 0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.788 11.690 0.950 1.00 0.00 H new ATOM 1308 N ALA A 82 3.032 9.460 -1.430 1.00 0.00 N ATOM 1309 CA ALA A 82 3.354 8.191 -2.059 1.00 0.00 C ATOM 1310 C ALA A 82 3.414 7.097 -0.989 1.00 0.00 C ATOM 1311 O ALA A 82 3.839 7.349 0.137 1.00 0.00 O ATOM 1312 CB ALA A 82 4.666 8.320 -2.833 1.00 0.00 C ATOM 0 H ALA A 82 3.837 9.974 -1.071 1.00 0.00 H new ATOM 0 HA ALA A 82 2.581 7.912 -2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.906 7.367 -3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.562 9.088 -3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.467 8.598 -2.148 1.00 0.00 H new ATOM 1318 N ILE A 83 2.979 5.907 -1.380 1.00 0.00 N ATOM 1319 CA ILE A 83 2.978 4.776 -0.469 1.00 0.00 C ATOM 1320 C ILE A 83 3.179 3.485 -1.266 1.00 0.00 C ATOM 1321 O ILE A 83 2.359 3.139 -2.113 1.00 0.00 O ATOM 1322 CB ILE A 83 1.710 4.779 0.387 1.00 0.00 C ATOM 1323 CG1 ILE A 83 1.951 4.080 1.727 1.00 0.00 C ATOM 1324 CG2 ILE A 83 0.533 4.165 -0.375 1.00 0.00 C ATOM 1325 CD1 ILE A 83 0.952 4.557 2.781 1.00 0.00 C ATOM 0 H ILE A 83 2.625 5.703 -2.315 1.00 0.00 H new ATOM 0 HA ILE A 83 3.809 4.851 0.233 1.00 0.00 H new ATOM 0 HB ILE A 83 1.448 5.814 0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.863 3.001 1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.967 4.279 2.067 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.356 4.179 0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.345 4.742 -1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.771 3.136 -0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.145 4.045 3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.059 5.632 2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.062 4.334 2.448 1.00 0.00 H new ATOM 1337 N LEU A 84 4.278 2.809 -0.966 1.00 0.00 N ATOM 1338 CA LEU A 84 4.599 1.564 -1.643 1.00 0.00 C ATOM 1339 C LEU A 84 4.665 0.430 -0.617 1.00 0.00 C ATOM 1340 O LEU A 84 5.491 0.462 0.293 1.00 0.00 O ATOM 1341 CB LEU A 84 5.876 1.718 -2.472 1.00 0.00 C ATOM 1342 CG LEU A 84 6.882 0.569 -2.373 1.00 0.00 C ATOM 1343 CD1 LEU A 84 6.307 -0.716 -2.971 1.00 0.00 C ATOM 1344 CD2 LEU A 84 8.217 0.952 -3.016 1.00 0.00 C ATOM 0 H LEU A 84 4.958 3.100 -0.263 1.00 0.00 H new ATOM 0 HA LEU A 84 3.814 1.305 -2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.594 1.839 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.374 2.638 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 84 7.076 0.375 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.042 -1.517 -2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.403 -0.996 -2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.066 -0.552 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.914 0.118 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.059 1.189 -4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.630 1.823 -2.506 1.00 0.00 H new ATOM 1356 N LEU A 85 3.783 -0.542 -0.798 1.00 0.00 N ATOM 1357 CA LEU A 85 3.731 -1.681 0.102 1.00 0.00 C ATOM 1358 C LEU A 85 4.114 -2.948 -0.665 1.00 0.00 C ATOM 1359 O LEU A 85 3.635 -3.175 -1.775 1.00 0.00 O ATOM 1360 CB LEU A 85 2.363 -1.764 0.782 1.00 0.00 C ATOM 1361 CG LEU A 85 2.228 -2.812 1.889 1.00 0.00 C ATOM 1362 CD1 LEU A 85 2.208 -2.153 3.269 1.00 0.00 C ATOM 1363 CD2 LEU A 85 0.998 -3.696 1.660 1.00 0.00 C ATOM 0 H LEU A 85 3.099 -0.564 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 85 4.455 -1.564 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.129 -0.786 1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.612 -1.971 0.020 1.00 0.00 H new ATOM 0 HG LEU A 85 3.104 -3.460 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.111 -2.920 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.135 -1.601 3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.363 -1.467 3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.925 -4.432 2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.101 -3.077 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.092 -4.209 0.703 1.00 0.00 H new ATOM 1375 N PHE A 86 4.974 -3.740 -0.044 1.00 0.00 N ATOM 1376 CA PHE A 86 5.427 -4.979 -0.654 1.00 0.00 C ATOM 1377 C PHE A 86 5.851 -5.993 0.412 1.00 0.00 C ATOM 1378 O PHE A 86 6.332 -5.613 1.479 1.00 0.00 O ATOM 1379 CB PHE A 86 6.638 -4.633 -1.521 1.00 0.00 C ATOM 1380 CG PHE A 86 7.859 -4.162 -0.727 1.00 0.00 C ATOM 1381 CD1 PHE A 86 8.735 -5.072 -0.221 1.00 0.00 C ATOM 1382 CD2 PHE A 86 8.067 -2.833 -0.524 1.00 0.00 C ATOM 1383 CE1 PHE A 86 9.866 -4.633 0.515 1.00 0.00 C ATOM 1384 CE2 PHE A 86 9.199 -2.394 0.213 1.00 0.00 C ATOM 1385 CZ PHE A 86 10.075 -3.305 0.717 1.00 0.00 C ATOM 0 H PHE A 86 5.370 -3.548 0.876 1.00 0.00 H new ATOM 0 HA PHE A 86 4.621 -5.422 -1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.915 -5.510 -2.107 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.355 -3.853 -2.228 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.570 -6.127 -0.379 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.371 -2.111 -0.924 1.00 0.00 H new ATOM 0 HE1 PHE A 86 10.562 -5.355 0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.364 -1.339 0.373 1.00 0.00 H new ATOM 0 HZ PHE A 86 10.936 -2.973 1.278 1.00 0.00 H new ATOM 1395 N LYS A 87 5.655 -7.262 0.086 1.00 0.00 N ATOM 1396 CA LYS A 87 6.010 -8.332 1.002 1.00 0.00 C ATOM 1397 C LYS A 87 7.171 -9.136 0.414 1.00 0.00 C ATOM 1398 O LYS A 87 7.010 -9.821 -0.595 1.00 0.00 O ATOM 1399 CB LYS A 87 4.782 -9.182 1.334 1.00 0.00 C ATOM 1400 CG LYS A 87 5.175 -10.639 1.589 1.00 0.00 C ATOM 1401 CD LYS A 87 5.984 -10.770 2.882 1.00 0.00 C ATOM 1402 CE LYS A 87 6.455 -12.211 3.090 1.00 0.00 C ATOM 1403 NZ LYS A 87 7.903 -12.243 3.394 1.00 0.00 N ATOM 0 H LYS A 87 5.255 -7.573 -0.799 1.00 0.00 H new ATOM 0 HA LYS A 87 6.353 -7.922 1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.282 -8.777 2.214 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.068 -9.133 0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.278 -11.256 1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.761 -11.014 0.750 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.846 -10.104 2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.375 -10.457 3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.896 -12.669 3.906 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.252 -12.799 2.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.123 -13.097 3.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.444 -12.255 2.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.161 -11.399 3.945 1.00 0.00 H new ATOM 1415 N SER A 88 8.318 -9.025 1.069 1.00 0.00 N ATOM 1416 CA SER A 88 9.507 -9.732 0.624 1.00 0.00 C ATOM 1417 C SER A 88 10.118 -10.514 1.790 1.00 0.00 C ATOM 1418 O SER A 88 10.047 -10.078 2.938 1.00 0.00 O ATOM 1419 CB SER A 88 10.536 -8.765 0.037 1.00 0.00 C ATOM 1420 OG SER A 88 11.762 -9.417 -0.280 1.00 0.00 O ATOM 0 H SER A 88 8.449 -8.456 1.905 1.00 0.00 H new ATOM 0 HA SER A 88 9.216 -10.430 -0.161 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.128 -8.304 -0.862 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.726 -7.962 0.749 1.00 0.00 H new ATOM 0 HG SER A 88 12.392 -8.766 -0.654 1.00 0.00 H new ATOM 1426 N GLY A 89 10.705 -11.653 1.454 1.00 0.00 N ATOM 1427 CA GLY A 89 11.329 -12.498 2.458 1.00 0.00 C ATOM 1428 C GLY A 89 10.495 -13.756 2.709 1.00 0.00 C ATOM 1429 O GLY A 89 10.032 -13.986 3.826 1.00 0.00 O ATOM 0 H GLY A 89 10.762 -12.011 0.500 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.330 -12.780 2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.443 -11.941 3.388 1.00 0.00 H new TER 1433 GLY A 89