USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1084 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 130 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 131 LYS NZ :NH3+ 153:sc= -1.43 (180deg=-2.94!) USER MOD Set 2.1: A 124 GLN : amide:sc= -3.38! C(o=-3.4!,f=-6.4!) USER MOD Set 2.2: A 128 TYR OH : rot 180:sc= -0.019 USER MOD Set 3.1: A 101 TYR OH : rot -84:sc= -4.04! USER MOD Set 3.2: A 116 THR OG1 : rot -175:sc= -4.77 USER MOD Set 4.1: A 40 MET CE :methyl 172:sc= -6.15! (180deg=-7.32!) USER MOD Set 4.2: A 64 TYR OH : rot -53:sc= 0.779 USER MOD Set 5.1: A 11 SER OG : rot -67:sc= 0.829 USER MOD Set 5.2: A 76 CYS SG : rot 2:sc= -0.949! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 137:sc= -3.32 (180deg=-5.69!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot -35:sc= 0.502 USER MOD Single : A 15 LYS NZ :NH3+ 176:sc= 0.0688 (180deg=0.0658) USER MOD Single : A 20 SER OG : rot -160:sc= -0.779 USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= 0.735 (180deg=0.324) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.28) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0866 USER MOD Single : A 38 GLN : amide:sc= -1.02 K(o=-1,f=-3.7!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0761 USER MOD Single : A 46 THR OG1 : rot 85:sc= 0.274 USER MOD Single : A 49 SER OG : rot -160:sc= -0.108 USER MOD Single : A 51 THR OG1 : rot 73:sc= -5.78! USER MOD Single : A 57 GLN : amide:sc=-0.00698 X(o=-0.007,f=-0.21) USER MOD Single : A 58 SER OG : rot 51:sc= 0.383 USER MOD Single : A 63 ASN : amide:sc= -2.61! C(o=-2.6!,f=-3.5!) USER MOD Single : A 67 HIS : no HD1:sc= -3.2! C(o=-3.2!,f=-5.5!) USER MOD Single : A 69 TYR OH : rot 0:sc= -0.992 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 170:sc= -1.63! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.099) USER MOD Single : A 85 TYR OH : rot 120:sc= -2.69! USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN :FLIP amide:sc=-0.000587 F(o=-0.53,f=-0.00059) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS :FLIP no HD1:sc= -5.63! C(o=-8.2!,f=-5.6!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot -78:sc= 0.504 USER MOD Single : A 117 ASN : amide:sc= 0.00982 X(o=0.0098,f=-0.37) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 MET CE :methyl -114:sc= -10.5! (180deg=-16.9!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 67:sc= 1.66 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -0.96 X(o=-0.96,f=-1.3!) USER MOD Single : A 136 SER OG : rot 13:sc= 0.971 USER MOD Single : A 137 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.344 13.056 1.504 1.00 0.00 N ATOM 2 CA MET A 1 -8.238 12.871 2.486 1.00 0.00 C ATOM 3 C MET A 1 -8.538 11.720 3.442 1.00 0.00 C ATOM 4 O MET A 1 -8.385 11.851 4.657 1.00 0.00 O ATOM 5 CB MET A 1 -8.050 14.173 3.271 1.00 0.00 C ATOM 6 CG MET A 1 -9.313 14.652 3.966 1.00 0.00 C ATOM 7 SD MET A 1 -9.083 16.228 4.814 1.00 0.00 S ATOM 8 CE MET A 1 -9.293 17.377 3.458 1.00 0.00 C ATOM 0 H1 MET A 1 -9.545 14.070 1.395 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.063 12.658 0.585 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.197 12.569 1.846 1.00 0.00 H new ATOM 0 HA MET A 1 -7.323 12.624 1.948 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.268 14.028 4.016 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.702 14.951 2.591 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.112 14.752 3.231 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.635 13.900 4.686 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.179 18.397 3.825 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.541 17.180 2.694 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.287 17.255 3.028 1.00 0.00 H new ATOM 20 N ARG A 2 -8.965 10.592 2.884 1.00 0.00 N ATOM 21 CA ARG A 2 -9.286 9.420 3.685 1.00 0.00 C ATOM 22 C ARG A 2 -8.740 8.149 3.043 1.00 0.00 C ATOM 23 O ARG A 2 -9.371 7.566 2.160 1.00 0.00 O ATOM 24 CB ARG A 2 -10.800 9.301 3.867 1.00 0.00 C ATOM 25 CG ARG A 2 -11.331 10.065 5.071 1.00 0.00 C ATOM 26 CD ARG A 2 -12.249 11.202 4.653 1.00 0.00 C ATOM 27 NE ARG A 2 -12.507 12.129 5.751 1.00 0.00 N ATOM 28 CZ ARG A 2 -13.328 11.868 6.766 1.00 0.00 C ATOM 29 NH1 ARG A 2 -13.973 10.709 6.824 1.00 0.00 N ATOM 30 NH2 ARG A 2 -13.505 12.767 7.724 1.00 0.00 N ATOM 0 H ARG A 2 -9.096 10.466 1.880 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.815 9.541 4.661 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -11.295 9.667 2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -11.063 8.248 3.970 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.872 9.382 5.726 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -10.496 10.464 5.646 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.800 11.743 3.820 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -13.194 10.792 4.295 1.00 0.00 H new ATOM 0 HE ARG A 2 -12.030 13.030 5.740 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -13.840 10.014 6.089 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.601 10.513 7.604 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -13.012 13.659 7.684 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -14.134 12.567 8.501 1.00 0.00 H new ATOM 44 N ILE A 3 -7.567 7.719 3.497 1.00 0.00 N ATOM 45 CA ILE A 3 -6.941 6.512 2.973 1.00 0.00 C ATOM 46 C ILE A 3 -7.787 5.288 3.302 1.00 0.00 C ATOM 47 O ILE A 3 -8.442 5.242 4.342 1.00 0.00 O ATOM 48 CB ILE A 3 -5.520 6.336 3.544 1.00 0.00 C ATOM 49 CG1 ILE A 3 -4.813 5.150 2.906 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.569 6.167 5.053 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.313 5.308 2.912 1.00 0.00 C ATOM 0 H ILE A 3 -7.031 8.189 4.227 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.869 6.614 1.890 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.953 7.236 3.308 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.082 4.239 3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.160 5.032 1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.557 6.044 5.438 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.024 7.049 5.503 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.161 5.286 5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.853 4.436 2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.039 6.204 2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.961 5.398 3.940 1.00 0.00 H new ATOM 63 N TYR A 4 -7.794 4.308 2.402 1.00 0.00 N ATOM 64 CA TYR A 4 -8.593 3.106 2.610 1.00 0.00 C ATOM 65 C TYR A 4 -7.744 1.840 2.643 1.00 0.00 C ATOM 66 O TYR A 4 -8.144 0.843 3.242 1.00 0.00 O ATOM 67 CB TYR A 4 -9.652 2.983 1.514 1.00 0.00 C ATOM 68 CG TYR A 4 -10.859 3.864 1.737 1.00 0.00 C ATOM 69 CD1 TYR A 4 -11.460 3.949 2.988 1.00 0.00 C ATOM 70 CD2 TYR A 4 -11.399 4.609 0.697 1.00 0.00 C ATOM 71 CE1 TYR A 4 -12.565 4.753 3.194 1.00 0.00 C ATOM 72 CE2 TYR A 4 -12.503 5.415 0.897 1.00 0.00 C ATOM 73 CZ TYR A 4 -13.082 5.485 2.146 1.00 0.00 C ATOM 74 OH TYR A 4 -14.182 6.286 2.349 1.00 0.00 O ATOM 0 H TYR A 4 -7.262 4.322 1.532 1.00 0.00 H new ATOM 0 HA TYR A 4 -9.072 3.207 3.584 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -9.201 3.236 0.554 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -9.977 1.945 1.450 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -11.057 3.378 3.811 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -10.949 4.558 -0.283 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -13.021 4.808 4.171 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -12.911 5.988 0.078 1.00 0.00 H new ATOM 0 HH TYR A 4 -14.419 6.735 1.511 1.00 0.00 H new ATOM 84 N TYR A 5 -6.584 1.863 1.995 1.00 0.00 N ATOM 85 CA TYR A 5 -5.728 0.683 1.975 1.00 0.00 C ATOM 86 C TYR A 5 -4.270 1.027 1.698 1.00 0.00 C ATOM 87 O TYR A 5 -3.954 2.004 1.021 1.00 0.00 O ATOM 88 CB TYR A 5 -6.239 -0.321 0.933 1.00 0.00 C ATOM 89 CG TYR A 5 -5.370 -1.561 0.758 1.00 0.00 C ATOM 90 CD1 TYR A 5 -4.080 -1.477 0.239 1.00 0.00 C ATOM 91 CD2 TYR A 5 -5.849 -2.820 1.102 1.00 0.00 C ATOM 92 CE1 TYR A 5 -3.298 -2.599 0.073 1.00 0.00 C ATOM 93 CE2 TYR A 5 -5.068 -3.950 0.935 1.00 0.00 C ATOM 94 CZ TYR A 5 -3.795 -3.834 0.421 1.00 0.00 C ATOM 95 OH TYR A 5 -3.019 -4.957 0.251 1.00 0.00 O ATOM 0 H TYR A 5 -6.220 2.669 1.486 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.771 0.236 2.968 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.244 -0.636 1.215 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.322 0.186 -0.029 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.684 -0.511 -0.039 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.846 -2.918 1.506 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.299 -2.510 -0.328 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -5.455 -4.921 1.207 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.469 -4.856 -0.554 1.00 0.00 H new ATOM 105 N ILE A 6 -3.393 0.178 2.215 1.00 0.00 N ATOM 106 CA ILE A 6 -1.960 0.316 2.032 1.00 0.00 C ATOM 107 C ILE A 6 -1.342 -1.070 2.044 1.00 0.00 C ATOM 108 O ILE A 6 -2.004 -2.043 2.403 1.00 0.00 O ATOM 109 CB ILE A 6 -1.334 1.219 3.129 1.00 0.00 C ATOM 110 CG1 ILE A 6 -1.324 2.668 2.649 1.00 0.00 C ATOM 111 CG2 ILE A 6 0.074 0.787 3.521 1.00 0.00 C ATOM 112 CD1 ILE A 6 -0.700 3.641 3.627 1.00 0.00 C ATOM 0 H ILE A 6 -3.660 -0.630 2.777 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.759 0.801 1.077 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.951 1.121 4.022 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.783 2.722 1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.349 2.979 2.448 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.459 1.456 4.291 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.048 -0.232 3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.724 0.828 2.647 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.733 4.647 3.210 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.254 3.619 4.566 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.336 3.358 3.811 1.00 0.00 H new ATOM 124 N GLY A 7 -0.089 -1.173 1.656 1.00 0.00 N ATOM 125 CA GLY A 7 0.544 -2.468 1.654 1.00 0.00 C ATOM 126 C GLY A 7 1.775 -2.532 0.788 1.00 0.00 C ATOM 127 O GLY A 7 2.303 -1.509 0.352 1.00 0.00 O ATOM 0 H GLY A 7 0.496 -0.397 1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.814 -2.734 2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.172 -3.214 1.309 1.00 0.00 H new ATOM 131 N VAL A 8 2.227 -3.749 0.547 1.00 0.00 N ATOM 132 CA VAL A 8 3.404 -3.988 -0.263 1.00 0.00 C ATOM 133 C VAL A 8 3.335 -5.370 -0.890 1.00 0.00 C ATOM 134 O VAL A 8 3.091 -6.361 -0.199 1.00 0.00 O ATOM 135 CB VAL A 8 4.696 -3.900 0.568 1.00 0.00 C ATOM 136 CG1 VAL A 8 5.833 -3.312 -0.255 1.00 0.00 C ATOM 137 CG2 VAL A 8 4.484 -3.092 1.841 1.00 0.00 C ATOM 0 H VAL A 8 1.789 -4.597 0.907 1.00 0.00 H new ATOM 0 HA VAL A 8 3.424 -3.217 -1.033 1.00 0.00 H new ATOM 0 HB VAL A 8 4.970 -4.915 0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.735 -3.260 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.018 -3.944 -1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.562 -2.310 -0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.416 -3.050 2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.170 -2.081 1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.714 -3.566 2.449 1.00 0.00 H new ATOM 147 N PHE A 9 3.556 -5.435 -2.192 1.00 0.00 N ATOM 148 CA PHE A 9 3.526 -6.704 -2.900 1.00 0.00 C ATOM 149 C PHE A 9 4.414 -6.648 -4.129 1.00 0.00 C ATOM 150 O PHE A 9 4.267 -5.772 -4.980 1.00 0.00 O ATOM 151 CB PHE A 9 2.101 -7.079 -3.301 1.00 0.00 C ATOM 152 CG PHE A 9 1.058 -6.131 -2.798 1.00 0.00 C ATOM 153 CD1 PHE A 9 0.513 -6.284 -1.535 1.00 0.00 C ATOM 154 CD2 PHE A 9 0.614 -5.097 -3.598 1.00 0.00 C ATOM 155 CE1 PHE A 9 -0.460 -5.416 -1.083 1.00 0.00 C ATOM 156 CE2 PHE A 9 -0.363 -4.231 -3.155 1.00 0.00 C ATOM 157 CZ PHE A 9 -0.900 -4.392 -1.895 1.00 0.00 C ATOM 0 H PHE A 9 3.758 -4.626 -2.779 1.00 0.00 H new ATOM 0 HA PHE A 9 3.904 -7.471 -2.224 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.041 -7.126 -4.388 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.880 -8.078 -2.926 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.852 -7.088 -0.899 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.037 -4.965 -4.583 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.877 -5.539 -0.094 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.706 -3.430 -3.792 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.665 -3.716 -1.544 1.00 0.00 H new ATOM 167 N ARG A 10 5.337 -7.591 -4.214 1.00 0.00 N ATOM 168 CA ARG A 10 6.253 -7.652 -5.341 1.00 0.00 C ATOM 169 C ARG A 10 5.521 -8.081 -6.599 1.00 0.00 C ATOM 170 O ARG A 10 4.562 -8.851 -6.544 1.00 0.00 O ATOM 171 CB ARG A 10 7.388 -8.630 -5.057 1.00 0.00 C ATOM 172 CG ARG A 10 8.408 -8.713 -6.180 1.00 0.00 C ATOM 173 CD ARG A 10 8.260 -9.997 -6.982 1.00 0.00 C ATOM 174 NE ARG A 10 8.773 -9.854 -8.343 1.00 0.00 N ATOM 175 CZ ARG A 10 8.842 -10.852 -9.220 1.00 0.00 C ATOM 176 NH1 ARG A 10 8.426 -12.068 -8.886 1.00 0.00 N ATOM 177 NH2 ARG A 10 9.326 -10.634 -10.435 1.00 0.00 N ATOM 0 H ARG A 10 5.472 -8.324 -3.518 1.00 0.00 H new ATOM 0 HA ARG A 10 6.669 -6.656 -5.491 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.893 -8.332 -4.138 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.969 -9.621 -4.883 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.291 -7.855 -6.842 1.00 0.00 H new ATOM 0 HG3 ARG A 10 9.414 -8.659 -5.763 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.792 -10.803 -6.477 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.209 -10.282 -7.019 1.00 0.00 H new ATOM 0 HE ARG A 10 9.098 -8.933 -8.638 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.051 -12.240 -7.953 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.481 -12.830 -9.562 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.645 -9.701 -10.697 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.379 -11.399 -11.108 1.00 0.00 H new ATOM 191 N SER A 11 5.982 -7.575 -7.731 1.00 0.00 N ATOM 192 CA SER A 11 5.372 -7.900 -9.009 1.00 0.00 C ATOM 193 C SER A 11 5.494 -9.387 -9.314 1.00 0.00 C ATOM 194 O SER A 11 6.427 -9.824 -9.988 1.00 0.00 O ATOM 195 CB SER A 11 6.021 -7.096 -10.124 1.00 0.00 C ATOM 196 OG SER A 11 6.065 -5.716 -9.803 1.00 0.00 O ATOM 0 H SER A 11 6.776 -6.938 -7.791 1.00 0.00 H new ATOM 0 HA SER A 11 4.314 -7.644 -8.947 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.032 -7.463 -10.300 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.464 -7.239 -11.050 1.00 0.00 H new ATOM 0 HG SER A 11 5.153 -5.358 -9.773 1.00 0.00 H new ATOM 202 N GLY A 12 4.541 -10.154 -8.813 1.00 0.00 N ATOM 203 CA GLY A 12 4.541 -11.589 -9.034 1.00 0.00 C ATOM 204 C GLY A 12 4.234 -11.955 -10.474 1.00 0.00 C ATOM 205 O GLY A 12 4.825 -11.402 -11.401 1.00 0.00 O ATOM 0 H GLY A 12 3.761 -9.809 -8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.514 -11.996 -8.759 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.804 -12.054 -8.379 1.00 0.00 H new ATOM 209 N GLY A 13 3.307 -12.890 -10.661 1.00 0.00 N ATOM 210 CA GLY A 13 2.938 -13.314 -12.000 1.00 0.00 C ATOM 211 C GLY A 13 1.764 -12.529 -12.554 1.00 0.00 C ATOM 212 O GLY A 13 1.853 -11.315 -12.736 1.00 0.00 O ATOM 0 H GLY A 13 2.805 -13.362 -9.909 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.795 -13.197 -12.664 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.688 -14.375 -11.986 1.00 0.00 H new ATOM 216 N GLU A 14 0.660 -13.224 -12.820 1.00 0.00 N ATOM 217 CA GLU A 14 -0.539 -12.582 -13.354 1.00 0.00 C ATOM 218 C GLU A 14 -0.947 -11.388 -12.493 1.00 0.00 C ATOM 219 O GLU A 14 -1.576 -10.446 -12.976 1.00 0.00 O ATOM 220 CB GLU A 14 -1.690 -13.589 -13.434 1.00 0.00 C ATOM 221 CG GLU A 14 -2.382 -13.614 -14.787 1.00 0.00 C ATOM 222 CD GLU A 14 -3.892 -13.693 -14.667 1.00 0.00 C ATOM 223 OE1 GLU A 14 -4.383 -14.081 -13.587 1.00 0.00 O ATOM 224 OE2 GLU A 14 -4.584 -13.369 -15.656 1.00 0.00 O ATOM 0 H GLU A 14 0.571 -14.230 -12.675 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.312 -12.221 -14.357 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.307 -14.585 -13.213 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.424 -13.352 -12.664 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.112 -12.718 -15.346 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.021 -14.468 -15.360 1.00 0.00 H new ATOM 231 N LYS A 15 -0.574 -11.435 -11.218 1.00 0.00 N ATOM 232 CA LYS A 15 -0.887 -10.363 -10.286 1.00 0.00 C ATOM 233 C LYS A 15 0.272 -10.161 -9.318 1.00 0.00 C ATOM 234 O LYS A 15 1.317 -10.798 -9.449 1.00 0.00 O ATOM 235 CB LYS A 15 -2.169 -10.680 -9.514 1.00 0.00 C ATOM 236 CG LYS A 15 -2.154 -12.042 -8.839 1.00 0.00 C ATOM 237 CD LYS A 15 -2.771 -13.110 -9.727 1.00 0.00 C ATOM 238 CE LYS A 15 -4.273 -13.218 -9.513 1.00 0.00 C ATOM 239 NZ LYS A 15 -5.038 -12.702 -10.680 1.00 0.00 N ATOM 0 H LYS A 15 -0.052 -12.209 -10.807 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.043 -9.444 -10.851 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.327 -9.911 -8.758 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.016 -10.633 -10.198 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.128 -12.318 -8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.701 -11.989 -7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.568 -12.877 -10.772 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.303 -14.072 -9.518 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.540 -14.260 -9.335 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.553 -12.660 -8.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.055 -12.855 -10.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.854 -11.685 -10.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.740 -13.205 -11.540 1.00 0.00 H new ATOM 253 N ALA A 16 0.087 -9.276 -8.350 1.00 0.00 N ATOM 254 CA ALA A 16 1.128 -9.003 -7.370 1.00 0.00 C ATOM 255 C ALA A 16 1.035 -9.962 -6.189 1.00 0.00 C ATOM 256 O ALA A 16 -0.043 -10.180 -5.637 1.00 0.00 O ATOM 257 CB ALA A 16 1.040 -7.563 -6.898 1.00 0.00 C ATOM 0 H ALA A 16 -0.769 -8.737 -8.222 1.00 0.00 H new ATOM 0 HA ALA A 16 2.095 -9.156 -7.848 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.824 -7.372 -6.165 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.167 -6.893 -7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.066 -7.389 -6.441 1.00 0.00 H new ATOM 263 N LEU A 17 2.173 -10.530 -5.805 1.00 0.00 N ATOM 264 CA LEU A 17 2.222 -11.464 -4.687 1.00 0.00 C ATOM 265 C LEU A 17 3.527 -11.316 -3.926 1.00 0.00 C ATOM 266 O LEU A 17 4.590 -11.639 -4.452 1.00 0.00 O ATOM 267 CB LEU A 17 2.060 -12.915 -5.188 1.00 0.00 C ATOM 268 CG LEU A 17 2.772 -14.020 -4.372 1.00 0.00 C ATOM 269 CD1 LEU A 17 4.228 -14.167 -4.804 1.00 0.00 C ATOM 270 CD2 LEU A 17 2.694 -13.751 -2.872 1.00 0.00 C ATOM 0 H LEU A 17 3.074 -10.360 -6.252 1.00 0.00 H new ATOM 0 HA LEU A 17 1.398 -11.233 -4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.995 -13.147 -5.217 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.425 -12.963 -6.214 1.00 0.00 H new ATOM 0 HG LEU A 17 2.250 -14.955 -4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.705 -14.950 -4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.269 -14.432 -5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.751 -13.224 -4.646 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.205 -14.548 -2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.172 -12.797 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.649 -13.715 -2.563 1.00 0.00 H new ATOM 282 N GLU A 18 3.444 -10.847 -2.677 1.00 0.00 N ATOM 283 CA GLU A 18 4.636 -10.692 -1.847 1.00 0.00 C ATOM 284 C GLU A 18 4.442 -9.712 -0.688 1.00 0.00 C ATOM 285 O GLU A 18 3.341 -9.237 -0.407 1.00 0.00 O ATOM 286 CB GLU A 18 5.837 -10.241 -2.688 1.00 0.00 C ATOM 287 CG GLU A 18 6.926 -11.287 -2.794 1.00 0.00 C ATOM 288 CD GLU A 18 8.280 -10.690 -3.137 1.00 0.00 C ATOM 289 OE1 GLU A 18 8.919 -10.098 -2.245 1.00 0.00 O ATOM 290 OE2 GLU A 18 8.705 -10.829 -4.302 1.00 0.00 O ATOM 0 H GLU A 18 2.572 -10.571 -2.225 1.00 0.00 H new ATOM 0 HA GLU A 18 4.826 -11.677 -1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.493 -9.983 -3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.256 -9.334 -2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.000 -11.826 -1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.651 -12.016 -3.556 1.00 0.00 H new ATOM 297 N LEU A 19 5.566 -9.432 -0.043 1.00 0.00 N ATOM 298 CA LEU A 19 5.674 -8.521 1.096 1.00 0.00 C ATOM 299 C LEU A 19 4.467 -8.571 2.044 1.00 0.00 C ATOM 300 O LEU A 19 4.159 -9.630 2.588 1.00 0.00 O ATOM 301 CB LEU A 19 5.960 -7.098 0.607 1.00 0.00 C ATOM 302 CG LEU A 19 7.084 -6.947 -0.440 1.00 0.00 C ATOM 303 CD1 LEU A 19 7.952 -8.197 -0.550 1.00 0.00 C ATOM 304 CD2 LEU A 19 6.493 -6.619 -1.796 1.00 0.00 C ATOM 0 H LEU A 19 6.461 -9.846 -0.305 1.00 0.00 H new ATOM 0 HA LEU A 19 6.516 -8.863 1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.042 -6.691 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.213 -6.484 1.471 1.00 0.00 H new ATOM 0 HG LEU A 19 7.724 -6.131 -0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.727 -8.037 -1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.417 -8.403 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.333 -9.045 -0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.295 -6.515 -2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.823 -7.421 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.935 -5.685 -1.733 1.00 0.00 H new ATOM 316 N SER A 20 3.805 -7.429 2.288 1.00 0.00 N ATOM 317 CA SER A 20 2.681 -7.410 3.223 1.00 0.00 C ATOM 318 C SER A 20 1.450 -6.699 2.658 1.00 0.00 C ATOM 319 O SER A 20 1.493 -6.131 1.571 1.00 0.00 O ATOM 320 CB SER A 20 3.102 -6.743 4.534 1.00 0.00 C ATOM 321 OG SER A 20 3.863 -5.573 4.290 1.00 0.00 O ATOM 0 H SER A 20 4.025 -6.530 1.860 1.00 0.00 H new ATOM 0 HA SER A 20 2.401 -8.448 3.401 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.217 -6.490 5.117 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.687 -7.443 5.130 1.00 0.00 H new ATOM 0 HG SER A 20 4.378 -5.345 5.092 1.00 0.00 H new ATOM 327 N GLU A 21 0.345 -6.741 3.413 1.00 0.00 N ATOM 328 CA GLU A 21 -0.902 -6.104 2.984 1.00 0.00 C ATOM 329 C GLU A 21 -1.728 -5.574 4.165 1.00 0.00 C ATOM 330 O GLU A 21 -2.100 -6.333 5.061 1.00 0.00 O ATOM 331 CB GLU A 21 -1.747 -7.099 2.185 1.00 0.00 C ATOM 332 CG GLU A 21 -0.955 -7.888 1.157 1.00 0.00 C ATOM 333 CD GLU A 21 -1.832 -8.458 0.059 1.00 0.00 C ATOM 334 OE1 GLU A 21 -2.335 -9.588 0.229 1.00 0.00 O ATOM 335 OE2 GLU A 21 -2.016 -7.774 -0.970 1.00 0.00 O ATOM 0 H GLU A 21 0.291 -7.207 4.319 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.627 -5.252 2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.222 -7.795 2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.546 -6.558 1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.197 -7.242 0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.428 -8.702 1.656 1.00 0.00 H new ATOM 342 N VAL A 22 -2.035 -4.275 4.143 1.00 0.00 N ATOM 343 CA VAL A 22 -2.843 -3.646 5.186 1.00 0.00 C ATOM 344 C VAL A 22 -4.106 -3.037 4.584 1.00 0.00 C ATOM 345 O VAL A 22 -4.122 -2.660 3.413 1.00 0.00 O ATOM 346 CB VAL A 22 -2.055 -2.550 5.927 1.00 0.00 C ATOM 347 CG1 VAL A 22 -1.635 -1.447 4.977 1.00 0.00 C ATOM 348 CG2 VAL A 22 -2.869 -1.973 7.076 1.00 0.00 C ATOM 0 H VAL A 22 -1.733 -3.636 3.408 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.113 -4.423 5.901 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.157 -3.011 6.339 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.080 -0.686 5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.002 -1.863 4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.520 -0.997 4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.288 -1.201 7.582 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.790 -1.538 6.687 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.113 -2.766 7.783 1.00 0.00 H new ATOM 358 N LYS A 23 -5.168 -2.951 5.378 1.00 0.00 N ATOM 359 CA LYS A 23 -6.425 -2.393 4.890 1.00 0.00 C ATOM 360 C LYS A 23 -7.033 -1.405 5.866 1.00 0.00 C ATOM 361 O LYS A 23 -6.738 -1.418 7.062 1.00 0.00 O ATOM 362 CB LYS A 23 -7.443 -3.504 4.638 1.00 0.00 C ATOM 363 CG LYS A 23 -6.893 -4.670 3.833 1.00 0.00 C ATOM 364 CD LYS A 23 -6.283 -5.731 4.736 1.00 0.00 C ATOM 365 CE LYS A 23 -5.835 -6.948 3.942 1.00 0.00 C ATOM 366 NZ LYS A 23 -4.542 -7.491 4.443 1.00 0.00 N ATOM 0 H LYS A 23 -5.185 -3.256 6.351 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.190 -1.871 3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.806 -3.876 5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.301 -3.085 4.113 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.692 -5.112 3.238 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.139 -4.308 3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.431 -5.310 5.270 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.012 -6.034 5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.601 -7.722 4.000 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.733 -6.679 2.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.135 -8.131 3.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.882 -6.707 4.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.704 -8.014 5.327 1.00 0.00 H new ATOM 380 N ASP A 24 -7.924 -0.577 5.341 1.00 0.00 N ATOM 381 CA ASP A 24 -8.635 0.398 6.143 1.00 0.00 C ATOM 382 C ASP A 24 -10.107 0.380 5.757 1.00 0.00 C ATOM 383 O ASP A 24 -10.485 0.844 4.682 1.00 0.00 O ATOM 384 CB ASP A 24 -8.051 1.798 5.937 1.00 0.00 C ATOM 385 CG ASP A 24 -7.574 2.423 7.234 1.00 0.00 C ATOM 386 OD1 ASP A 24 -6.610 1.897 7.828 1.00 0.00 O ATOM 387 OD2 ASP A 24 -8.166 3.439 7.654 1.00 0.00 O ATOM 0 H ASP A 24 -8.171 -0.565 4.351 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.529 0.141 7.197 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.218 1.742 5.236 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.806 2.440 5.484 1.00 0.00 H new ATOM 392 N LEU A 25 -10.926 -0.171 6.637 1.00 0.00 N ATOM 393 CA LEU A 25 -12.359 -0.269 6.394 1.00 0.00 C ATOM 394 C LEU A 25 -13.146 0.335 7.547 1.00 0.00 C ATOM 395 O LEU A 25 -13.640 -0.377 8.421 1.00 0.00 O ATOM 396 CB LEU A 25 -12.751 -1.732 6.189 1.00 0.00 C ATOM 397 CG LEU A 25 -11.991 -2.447 5.070 1.00 0.00 C ATOM 398 CD1 LEU A 25 -11.958 -3.947 5.317 1.00 0.00 C ATOM 399 CD2 LEU A 25 -12.617 -2.139 3.719 1.00 0.00 C ATOM 0 H LEU A 25 -10.623 -0.559 7.530 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.598 0.293 5.492 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.589 -2.272 7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.818 -1.781 5.974 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.964 -2.080 5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.413 -4.437 4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.460 -4.149 6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.977 -4.332 5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.063 -2.656 2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.654 -2.475 3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.583 -1.065 3.539 1.00 0.00 H new ATOM 411 N SER A 26 -13.248 1.659 7.546 1.00 0.00 N ATOM 412 CA SER A 26 -13.965 2.372 8.598 1.00 0.00 C ATOM 413 C SER A 26 -15.293 2.934 8.093 1.00 0.00 C ATOM 414 O SER A 26 -16.315 2.835 8.771 1.00 0.00 O ATOM 415 CB SER A 26 -13.101 3.505 9.151 1.00 0.00 C ATOM 416 OG SER A 26 -11.729 3.150 9.145 1.00 0.00 O ATOM 0 H SER A 26 -12.844 2.261 6.829 1.00 0.00 H new ATOM 0 HA SER A 26 -14.181 1.657 9.392 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.250 4.405 8.554 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.414 3.742 10.168 1.00 0.00 H new ATOM 0 HG SER A 26 -11.198 3.892 9.502 1.00 0.00 H new ATOM 422 N GLN A 27 -15.271 3.532 6.905 1.00 0.00 N ATOM 423 CA GLN A 27 -16.477 4.117 6.323 1.00 0.00 C ATOM 424 C GLN A 27 -17.451 3.037 5.856 1.00 0.00 C ATOM 425 O GLN A 27 -18.651 3.284 5.729 1.00 0.00 O ATOM 426 CB GLN A 27 -16.109 5.028 5.151 1.00 0.00 C ATOM 427 CG GLN A 27 -15.399 6.305 5.571 1.00 0.00 C ATOM 428 CD GLN A 27 -16.163 7.076 6.628 1.00 0.00 C ATOM 429 OE1 GLN A 27 -15.596 7.497 7.637 1.00 0.00 O ATOM 430 NE2 GLN A 27 -17.458 7.266 6.403 1.00 0.00 N ATOM 0 H GLN A 27 -14.435 3.625 6.328 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.969 4.705 7.097 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.470 4.477 4.461 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -17.016 5.289 4.606 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.409 6.057 5.952 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.254 6.940 4.697 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.887 6.900 5.553 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.023 7.778 7.080 1.00 0.00 H new ATOM 439 N PHE A 28 -16.929 1.846 5.595 1.00 0.00 N ATOM 440 CA PHE A 28 -17.749 0.730 5.134 1.00 0.00 C ATOM 441 C PHE A 28 -18.362 -0.019 6.315 1.00 0.00 C ATOM 442 O PHE A 28 -17.658 -0.423 7.241 1.00 0.00 O ATOM 443 CB PHE A 28 -16.906 -0.216 4.275 1.00 0.00 C ATOM 444 CG PHE A 28 -15.793 0.490 3.557 1.00 0.00 C ATOM 445 CD1 PHE A 28 -16.065 1.374 2.526 1.00 0.00 C ATOM 446 CD2 PHE A 28 -14.476 0.289 3.930 1.00 0.00 C ATOM 447 CE1 PHE A 28 -15.042 2.045 1.882 1.00 0.00 C ATOM 448 CE2 PHE A 28 -13.451 0.951 3.288 1.00 0.00 C ATOM 449 CZ PHE A 28 -13.733 1.831 2.265 1.00 0.00 C ATOM 0 H PHE A 28 -15.938 1.626 5.695 1.00 0.00 H new ATOM 0 HA PHE A 28 -18.565 1.125 4.528 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -16.486 -0.998 4.908 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -17.549 -0.708 3.545 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -17.088 1.541 2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -14.248 -0.395 4.734 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -15.266 2.735 1.082 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -12.427 0.780 3.587 1.00 0.00 H new ATOM 0 HZ PHE A 28 -12.931 2.352 1.764 1.00 0.00 H new ATOM 459 N GLY A 29 -19.682 -0.191 6.281 1.00 0.00 N ATOM 460 CA GLY A 29 -20.378 -0.880 7.357 1.00 0.00 C ATOM 461 C GLY A 29 -19.842 -2.277 7.613 1.00 0.00 C ATOM 462 O GLY A 29 -18.760 -2.630 7.146 1.00 0.00 O ATOM 0 H GLY A 29 -20.284 0.136 5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -20.295 -0.292 8.271 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -21.439 -0.943 7.114 1.00 0.00 H new ATOM 466 N PHE A 30 -20.604 -3.072 8.360 1.00 0.00 N ATOM 467 CA PHE A 30 -20.202 -4.438 8.681 1.00 0.00 C ATOM 468 C PHE A 30 -20.806 -5.436 7.695 1.00 0.00 C ATOM 469 O PHE A 30 -21.075 -6.584 8.046 1.00 0.00 O ATOM 470 CB PHE A 30 -20.626 -4.793 10.107 1.00 0.00 C ATOM 471 CG PHE A 30 -22.063 -4.473 10.405 1.00 0.00 C ATOM 472 CD1 PHE A 30 -23.079 -5.299 9.952 1.00 0.00 C ATOM 473 CD2 PHE A 30 -22.397 -3.344 11.138 1.00 0.00 C ATOM 474 CE1 PHE A 30 -24.402 -5.006 10.226 1.00 0.00 C ATOM 475 CE2 PHE A 30 -23.718 -3.047 11.413 1.00 0.00 C ATOM 476 CZ PHE A 30 -24.721 -3.879 10.957 1.00 0.00 C ATOM 0 H PHE A 30 -21.503 -2.794 8.754 1.00 0.00 H new ATOM 0 HA PHE A 30 -19.116 -4.496 8.604 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -20.458 -5.857 10.273 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -19.990 -4.256 10.811 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -22.835 -6.181 9.379 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -21.616 -2.690 11.498 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -25.185 -5.658 9.869 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -23.966 -2.165 11.984 1.00 0.00 H new ATOM 0 HZ PHE A 30 -25.754 -3.649 11.172 1.00 0.00 H new ATOM 486 N PHE A 31 -21.009 -4.989 6.461 1.00 0.00 N ATOM 487 CA PHE A 31 -21.572 -5.837 5.418 1.00 0.00 C ATOM 488 C PHE A 31 -20.852 -5.598 4.098 1.00 0.00 C ATOM 489 O PHE A 31 -20.453 -6.540 3.414 1.00 0.00 O ATOM 490 CB PHE A 31 -23.069 -5.563 5.257 1.00 0.00 C ATOM 491 CG PHE A 31 -23.414 -4.102 5.244 1.00 0.00 C ATOM 492 CD1 PHE A 31 -23.661 -3.426 6.428 1.00 0.00 C ATOM 493 CD2 PHE A 31 -23.489 -3.404 4.049 1.00 0.00 C ATOM 494 CE1 PHE A 31 -23.976 -2.080 6.421 1.00 0.00 C ATOM 495 CE2 PHE A 31 -23.805 -2.059 4.036 1.00 0.00 C ATOM 496 CZ PHE A 31 -24.049 -1.396 5.222 1.00 0.00 C ATOM 0 H PHE A 31 -20.791 -4.040 6.158 1.00 0.00 H new ATOM 0 HA PHE A 31 -21.437 -6.879 5.709 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -23.415 -6.018 4.329 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -23.608 -6.048 6.071 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -23.607 -3.957 7.367 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -23.298 -3.917 3.118 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -24.165 -1.564 7.351 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -23.861 -1.526 3.098 1.00 0.00 H new ATOM 0 HZ PHE A 31 -24.296 -0.345 5.213 1.00 0.00 H new ATOM 506 N GLU A 32 -20.681 -4.326 3.752 1.00 0.00 N ATOM 507 CA GLU A 32 -19.998 -3.952 2.522 1.00 0.00 C ATOM 508 C GLU A 32 -18.489 -3.887 2.745 1.00 0.00 C ATOM 509 O GLU A 32 -17.708 -4.034 1.806 1.00 0.00 O ATOM 510 CB GLU A 32 -20.510 -2.601 2.019 1.00 0.00 C ATOM 511 CG GLU A 32 -20.397 -1.486 3.047 1.00 0.00 C ATOM 512 CD GLU A 32 -20.704 -0.122 2.463 1.00 0.00 C ATOM 513 OE1 GLU A 32 -21.368 -0.064 1.407 1.00 0.00 O ATOM 514 OE2 GLU A 32 -20.281 0.889 3.063 1.00 0.00 O ATOM 0 H GLU A 32 -21.008 -3.536 4.309 1.00 0.00 H new ATOM 0 HA GLU A 32 -20.208 -4.712 1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -19.951 -2.319 1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -21.553 -2.705 1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -21.081 -1.686 3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -19.389 -1.481 3.463 1.00 0.00 H new ATOM 521 N ARG A 33 -18.087 -3.669 3.997 1.00 0.00 N ATOM 522 CA ARG A 33 -16.672 -3.586 4.348 1.00 0.00 C ATOM 523 C ARG A 33 -15.898 -4.767 3.768 1.00 0.00 C ATOM 524 O ARG A 33 -14.797 -4.603 3.245 1.00 0.00 O ATOM 525 CB ARG A 33 -16.508 -3.538 5.873 1.00 0.00 C ATOM 526 CG ARG A 33 -15.095 -3.833 6.357 1.00 0.00 C ATOM 527 CD ARG A 33 -14.979 -5.235 6.938 1.00 0.00 C ATOM 528 NE ARG A 33 -14.464 -5.218 8.305 1.00 0.00 N ATOM 529 CZ ARG A 33 -15.205 -4.922 9.372 1.00 0.00 C ATOM 530 NH1 ARG A 33 -16.489 -4.621 9.234 1.00 0.00 N ATOM 531 NH2 ARG A 33 -14.658 -4.930 10.580 1.00 0.00 N ATOM 0 H ARG A 33 -18.723 -3.547 4.785 1.00 0.00 H new ATOM 0 HA ARG A 33 -16.265 -2.670 3.920 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.803 -2.551 6.228 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -17.192 -4.257 6.324 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.396 -3.724 5.528 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.809 -3.101 7.113 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.957 -5.715 6.925 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.321 -5.835 6.310 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.481 -5.446 8.451 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.915 -4.615 8.307 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -17.051 -4.395 10.055 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.671 -5.163 10.691 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.224 -4.704 11.398 1.00 0.00 H new ATOM 545 N SER A 34 -16.484 -5.955 3.857 1.00 0.00 N ATOM 546 CA SER A 34 -15.852 -7.157 3.333 1.00 0.00 C ATOM 547 C SER A 34 -15.630 -7.028 1.830 1.00 0.00 C ATOM 548 O SER A 34 -14.534 -7.283 1.326 1.00 0.00 O ATOM 549 CB SER A 34 -16.715 -8.383 3.632 1.00 0.00 C ATOM 550 OG SER A 34 -16.042 -9.580 3.281 1.00 0.00 O ATOM 0 H SER A 34 -17.396 -6.110 4.287 1.00 0.00 H new ATOM 0 HA SER A 34 -14.885 -7.280 3.821 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.969 -8.403 4.692 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.653 -8.314 3.081 1.00 0.00 H new ATOM 0 HG SER A 34 -16.615 -10.349 3.484 1.00 0.00 H new ATOM 556 N SER A 35 -16.678 -6.622 1.122 1.00 0.00 N ATOM 557 CA SER A 35 -16.605 -6.449 -0.322 1.00 0.00 C ATOM 558 C SER A 35 -15.580 -5.380 -0.687 1.00 0.00 C ATOM 559 O SER A 35 -14.780 -5.562 -1.605 1.00 0.00 O ATOM 560 CB SER A 35 -17.977 -6.070 -0.883 1.00 0.00 C ATOM 561 OG SER A 35 -19.015 -6.473 -0.007 1.00 0.00 O ATOM 0 H SER A 35 -17.589 -6.406 1.526 1.00 0.00 H new ATOM 0 HA SER A 35 -16.291 -7.396 -0.762 1.00 0.00 H new ATOM 0 HB2 SER A 35 -18.025 -4.992 -1.037 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.117 -6.538 -1.857 1.00 0.00 H new ATOM 0 HG SER A 35 -19.881 -6.218 -0.387 1.00 0.00 H new ATOM 567 N VAL A 36 -15.605 -4.265 0.039 1.00 0.00 N ATOM 568 CA VAL A 36 -14.669 -3.178 -0.218 1.00 0.00 C ATOM 569 C VAL A 36 -13.240 -3.630 0.036 1.00 0.00 C ATOM 570 O VAL A 36 -12.356 -3.407 -0.788 1.00 0.00 O ATOM 571 CB VAL A 36 -14.955 -1.930 0.641 1.00 0.00 C ATOM 572 CG1 VAL A 36 -14.378 -0.696 -0.030 1.00 0.00 C ATOM 573 CG2 VAL A 36 -16.449 -1.761 0.891 1.00 0.00 C ATOM 0 H VAL A 36 -16.258 -4.093 0.803 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.800 -2.906 -1.265 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.474 -2.062 1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.584 0.181 0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.300 -0.814 -0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.835 -0.568 -1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.618 -0.872 1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.967 -1.652 -0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.832 -2.637 1.414 1.00 0.00 H new ATOM 583 N GLY A 37 -13.019 -4.280 1.178 1.00 0.00 N ATOM 584 CA GLY A 37 -11.689 -4.765 1.504 1.00 0.00 C ATOM 585 C GLY A 37 -11.088 -5.534 0.350 1.00 0.00 C ATOM 586 O GLY A 37 -9.951 -5.284 -0.049 1.00 0.00 O ATOM 0 H GLY A 37 -13.733 -4.478 1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.045 -3.923 1.758 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.739 -5.406 2.384 1.00 0.00 H new ATOM 590 N GLN A 38 -11.871 -6.451 -0.212 1.00 0.00 N ATOM 591 CA GLN A 38 -11.419 -7.226 -1.355 1.00 0.00 C ATOM 592 C GLN A 38 -11.140 -6.282 -2.515 1.00 0.00 C ATOM 593 O GLN A 38 -10.223 -6.499 -3.306 1.00 0.00 O ATOM 594 CB GLN A 38 -12.471 -8.263 -1.754 1.00 0.00 C ATOM 595 CG GLN A 38 -12.038 -9.157 -2.904 1.00 0.00 C ATOM 596 CD GLN A 38 -10.807 -9.978 -2.574 1.00 0.00 C ATOM 597 OE1 GLN A 38 -10.304 -9.941 -1.451 1.00 0.00 O ATOM 598 NE2 GLN A 38 -10.314 -10.725 -3.555 1.00 0.00 N ATOM 0 H GLN A 38 -12.815 -6.672 0.106 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.506 -7.759 -1.090 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -12.703 -8.884 -0.889 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -13.390 -7.747 -2.032 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -12.857 -9.827 -3.167 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.835 -8.542 -3.781 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.763 -10.725 -4.471 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.486 -11.298 -3.393 1.00 0.00 H new ATOM 607 N PHE A 39 -11.932 -5.213 -2.589 1.00 0.00 N ATOM 608 CA PHE A 39 -11.771 -4.207 -3.628 1.00 0.00 C ATOM 609 C PHE A 39 -10.431 -3.501 -3.470 1.00 0.00 C ATOM 610 O PHE A 39 -9.710 -3.277 -4.444 1.00 0.00 O ATOM 611 CB PHE A 39 -12.910 -3.187 -3.561 1.00 0.00 C ATOM 612 CG PHE A 39 -13.397 -2.739 -4.910 1.00 0.00 C ATOM 613 CD1 PHE A 39 -12.821 -1.648 -5.542 1.00 0.00 C ATOM 614 CD2 PHE A 39 -14.429 -3.410 -5.546 1.00 0.00 C ATOM 615 CE1 PHE A 39 -13.266 -1.235 -6.784 1.00 0.00 C ATOM 616 CE2 PHE A 39 -14.878 -3.001 -6.788 1.00 0.00 C ATOM 617 CZ PHE A 39 -14.296 -1.912 -7.407 1.00 0.00 C ATOM 0 H PHE A 39 -12.693 -5.025 -1.937 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.799 -4.701 -4.599 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.743 -3.621 -3.009 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.574 -2.316 -2.998 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.016 -1.115 -5.059 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -14.888 -4.262 -5.066 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -12.809 -0.384 -7.267 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -15.683 -3.532 -7.274 1.00 0.00 H new ATOM 0 HZ PHE A 39 -14.646 -1.590 -8.377 1.00 0.00 H new ATOM 627 N MET A 40 -10.104 -3.159 -2.227 1.00 0.00 N ATOM 628 CA MET A 40 -8.851 -2.482 -1.922 1.00 0.00 C ATOM 629 C MET A 40 -7.656 -3.337 -2.324 1.00 0.00 C ATOM 630 O MET A 40 -6.825 -2.921 -3.131 1.00 0.00 O ATOM 631 CB MET A 40 -8.773 -2.160 -0.429 1.00 0.00 C ATOM 632 CG MET A 40 -9.681 -1.021 0.003 1.00 0.00 C ATOM 633 SD MET A 40 -9.385 0.501 -0.918 1.00 0.00 S ATOM 634 CE MET A 40 -10.994 1.280 -0.807 1.00 0.00 C ATOM 0 H MET A 40 -10.692 -3.341 -1.414 1.00 0.00 H new ATOM 0 HA MET A 40 -8.823 -1.555 -2.494 1.00 0.00 H new ATOM 0 HB2 MET A 40 -9.032 -3.053 0.139 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.744 -1.907 -0.175 1.00 0.00 H new ATOM 0 HG2 MET A 40 -10.720 -1.322 -0.127 1.00 0.00 H new ATOM 0 HG3 MET A 40 -9.535 -0.830 1.066 1.00 0.00 H new ATOM 0 HE1 MET A 40 -10.936 2.293 -1.205 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.718 0.704 -1.384 1.00 0.00 H new ATOM 0 HE3 MET A 40 -11.309 1.317 0.236 1.00 0.00 H new ATOM 644 N THR A 41 -7.574 -4.533 -1.751 1.00 0.00 N ATOM 645 CA THR A 41 -6.479 -5.449 -2.044 1.00 0.00 C ATOM 646 C THR A 41 -6.400 -5.750 -3.535 1.00 0.00 C ATOM 647 O THR A 41 -5.386 -5.482 -4.167 1.00 0.00 O ATOM 648 CB THR A 41 -6.648 -6.747 -1.260 1.00 0.00 C ATOM 649 OG1 THR A 41 -7.329 -6.513 -0.040 1.00 0.00 O ATOM 650 CG2 THR A 41 -5.336 -7.425 -0.932 1.00 0.00 C ATOM 0 H THR A 41 -8.254 -4.891 -1.080 1.00 0.00 H new ATOM 0 HA THR A 41 -5.549 -4.967 -1.741 1.00 0.00 H new ATOM 0 HB THR A 41 -7.223 -7.404 -1.913 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.428 -7.358 0.446 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.529 -8.341 -0.374 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.810 -7.667 -1.856 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.722 -6.756 -0.329 1.00 0.00 H new ATOM 658 N PHE A 42 -7.474 -6.311 -4.093 1.00 0.00 N ATOM 659 CA PHE A 42 -7.516 -6.644 -5.518 1.00 0.00 C ATOM 660 C PHE A 42 -6.887 -5.532 -6.353 1.00 0.00 C ATOM 661 O PHE A 42 -6.115 -5.788 -7.278 1.00 0.00 O ATOM 662 CB PHE A 42 -8.958 -6.885 -5.969 1.00 0.00 C ATOM 663 CG PHE A 42 -9.068 -7.761 -7.185 1.00 0.00 C ATOM 664 CD1 PHE A 42 -9.074 -9.141 -7.060 1.00 0.00 C ATOM 665 CD2 PHE A 42 -9.166 -7.206 -8.451 1.00 0.00 C ATOM 666 CE1 PHE A 42 -9.175 -9.952 -8.175 1.00 0.00 C ATOM 667 CE2 PHE A 42 -9.268 -8.011 -9.570 1.00 0.00 C ATOM 668 CZ PHE A 42 -9.272 -9.386 -9.432 1.00 0.00 C ATOM 0 H PHE A 42 -8.325 -6.544 -3.581 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.942 -7.558 -5.669 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.515 -7.342 -5.151 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.430 -5.925 -6.179 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.999 -9.588 -6.080 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -9.163 -6.132 -8.565 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.178 -11.026 -8.064 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.344 -7.566 -10.551 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.351 -10.017 -10.305 1.00 0.00 H new ATOM 678 N PHE A 43 -7.211 -4.293 -6.002 1.00 0.00 N ATOM 679 CA PHE A 43 -6.669 -3.135 -6.699 1.00 0.00 C ATOM 680 C PHE A 43 -5.195 -2.959 -6.359 1.00 0.00 C ATOM 681 O PHE A 43 -4.382 -2.642 -7.224 1.00 0.00 O ATOM 682 CB PHE A 43 -7.447 -1.873 -6.320 1.00 0.00 C ATOM 683 CG PHE A 43 -7.765 -0.987 -7.490 1.00 0.00 C ATOM 684 CD1 PHE A 43 -6.831 -0.777 -8.492 1.00 0.00 C ATOM 685 CD2 PHE A 43 -8.999 -0.367 -7.589 1.00 0.00 C ATOM 686 CE1 PHE A 43 -7.122 0.036 -9.570 1.00 0.00 C ATOM 687 CE2 PHE A 43 -9.296 0.448 -8.665 1.00 0.00 C ATOM 688 CZ PHE A 43 -8.357 0.649 -9.656 1.00 0.00 C ATOM 0 H PHE A 43 -7.847 -4.065 -5.238 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.768 -3.299 -7.772 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.377 -2.163 -5.832 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.868 -1.305 -5.592 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.864 -1.255 -8.429 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.738 -0.522 -6.817 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.385 0.192 -10.344 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.262 0.927 -8.730 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.587 1.285 -10.498 1.00 0.00 H new ATOM 698 N ALA A 44 -4.862 -3.175 -5.089 1.00 0.00 N ATOM 699 CA ALA A 44 -3.487 -3.046 -4.622 1.00 0.00 C ATOM 700 C ALA A 44 -2.580 -4.073 -5.293 1.00 0.00 C ATOM 701 O ALA A 44 -1.467 -3.760 -5.724 1.00 0.00 O ATOM 702 CB ALA A 44 -3.433 -3.197 -3.111 1.00 0.00 C ATOM 0 H ALA A 44 -5.529 -3.441 -4.364 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.126 -2.054 -4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.402 -3.099 -2.772 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.043 -2.422 -2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.816 -4.178 -2.829 1.00 0.00 H new ATOM 708 N GLU A 45 -3.068 -5.297 -5.389 1.00 0.00 N ATOM 709 CA GLU A 45 -2.318 -6.367 -6.017 1.00 0.00 C ATOM 710 C GLU A 45 -2.153 -6.076 -7.504 1.00 0.00 C ATOM 711 O GLU A 45 -1.118 -6.378 -8.100 1.00 0.00 O ATOM 712 CB GLU A 45 -3.033 -7.698 -5.799 1.00 0.00 C ATOM 713 CG GLU A 45 -4.440 -7.729 -6.372 1.00 0.00 C ATOM 714 CD GLU A 45 -5.008 -9.133 -6.444 1.00 0.00 C ATOM 715 OE1 GLU A 45 -4.505 -10.016 -5.718 1.00 0.00 O ATOM 716 OE2 GLU A 45 -5.956 -9.349 -7.228 1.00 0.00 O ATOM 0 H GLU A 45 -3.985 -5.574 -5.038 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.328 -6.431 -5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.446 -8.496 -6.254 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.079 -7.906 -4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.092 -7.108 -5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.432 -7.292 -7.371 1.00 0.00 H new ATOM 723 N THR A 46 -3.176 -5.464 -8.092 1.00 0.00 N ATOM 724 CA THR A 46 -3.141 -5.105 -9.502 1.00 0.00 C ATOM 725 C THR A 46 -2.054 -4.074 -9.746 1.00 0.00 C ATOM 726 O THR A 46 -1.188 -4.259 -10.595 1.00 0.00 O ATOM 727 CB THR A 46 -4.500 -4.548 -9.944 1.00 0.00 C ATOM 728 OG1 THR A 46 -5.411 -5.598 -10.210 1.00 0.00 O ATOM 729 CG2 THR A 46 -4.427 -3.677 -11.184 1.00 0.00 C ATOM 0 H THR A 46 -4.039 -5.207 -7.612 1.00 0.00 H new ATOM 0 HA THR A 46 -2.923 -5.999 -10.086 1.00 0.00 H new ATOM 0 HB THR A 46 -4.837 -3.931 -9.111 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.839 -5.879 -9.374 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.425 -3.319 -11.437 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.774 -2.826 -10.993 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.029 -4.260 -12.015 1.00 0.00 H new ATOM 737 N VAL A 47 -2.112 -2.978 -8.997 1.00 0.00 N ATOM 738 CA VAL A 47 -1.127 -1.910 -9.142 1.00 0.00 C ATOM 739 C VAL A 47 0.283 -2.468 -9.162 1.00 0.00 C ATOM 740 O VAL A 47 0.998 -2.326 -10.149 1.00 0.00 O ATOM 741 CB VAL A 47 -1.200 -0.847 -8.022 1.00 0.00 C ATOM 742 CG1 VAL A 47 -1.648 0.485 -8.571 1.00 0.00 C ATOM 743 CG2 VAL A 47 -2.102 -1.257 -6.887 1.00 0.00 C ATOM 0 H VAL A 47 -2.825 -2.805 -8.288 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.370 -1.429 -10.089 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.190 -0.755 -7.623 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.691 1.216 -7.763 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.941 0.823 -9.328 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.636 0.380 -9.019 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.114 -0.472 -6.130 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.113 -1.414 -7.264 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.732 -2.182 -6.444 1.00 0.00 H new ATOM 753 N ALA A 48 0.684 -3.115 -8.076 1.00 0.00 N ATOM 754 CA ALA A 48 2.014 -3.694 -8.014 1.00 0.00 C ATOM 755 C ALA A 48 2.227 -4.627 -9.202 1.00 0.00 C ATOM 756 O ALA A 48 3.344 -4.785 -9.693 1.00 0.00 O ATOM 757 CB ALA A 48 2.226 -4.417 -6.696 1.00 0.00 C ATOM 0 H ALA A 48 0.116 -3.250 -7.240 1.00 0.00 H new ATOM 0 HA ALA A 48 2.753 -2.894 -8.068 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.229 -4.843 -6.672 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.111 -3.713 -5.872 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.491 -5.215 -6.596 1.00 0.00 H new ATOM 763 N SER A 49 1.131 -5.225 -9.673 1.00 0.00 N ATOM 764 CA SER A 49 1.180 -6.124 -10.819 1.00 0.00 C ATOM 765 C SER A 49 1.314 -5.328 -12.119 1.00 0.00 C ATOM 766 O SER A 49 1.944 -5.785 -13.073 1.00 0.00 O ATOM 767 CB SER A 49 -0.073 -7.002 -10.863 1.00 0.00 C ATOM 768 OG SER A 49 -0.297 -7.511 -12.166 1.00 0.00 O ATOM 0 H SER A 49 0.200 -5.100 -9.276 1.00 0.00 H new ATOM 0 HA SER A 49 2.053 -6.768 -10.714 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.034 -7.828 -10.160 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.938 -6.422 -10.543 1.00 0.00 H new ATOM 0 HG SER A 49 -1.233 -7.789 -12.252 1.00 0.00 H new ATOM 774 N ARG A 50 0.723 -4.133 -12.147 1.00 0.00 N ATOM 775 CA ARG A 50 0.785 -3.277 -13.328 1.00 0.00 C ATOM 776 C ARG A 50 2.033 -2.410 -13.300 1.00 0.00 C ATOM 777 O ARG A 50 2.578 -2.056 -14.346 1.00 0.00 O ATOM 778 CB ARG A 50 -0.463 -2.402 -13.444 1.00 0.00 C ATOM 779 CG ARG A 50 -0.575 -1.368 -12.342 1.00 0.00 C ATOM 780 CD ARG A 50 -1.789 -0.467 -12.516 1.00 0.00 C ATOM 781 NE ARG A 50 -2.096 -0.210 -13.923 1.00 0.00 N ATOM 782 CZ ARG A 50 -2.838 -1.015 -14.681 1.00 0.00 C ATOM 783 NH1 ARG A 50 -3.350 -2.131 -14.177 1.00 0.00 N ATOM 784 NH2 ARG A 50 -3.067 -0.703 -15.949 1.00 0.00 N ATOM 0 H ARG A 50 0.198 -3.738 -11.367 1.00 0.00 H new ATOM 0 HA ARG A 50 0.829 -3.925 -14.203 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.454 -1.895 -14.409 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.348 -3.039 -13.426 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.635 -1.873 -11.378 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.328 -0.758 -12.326 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.652 -0.929 -12.037 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.611 0.480 -12.007 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.719 0.637 -14.349 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.176 -2.377 -13.203 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.917 -2.742 -14.764 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.675 0.153 -16.343 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.635 -1.318 -16.531 1.00 0.00 H new ATOM 798 N THR A 51 2.492 -2.082 -12.101 1.00 0.00 N ATOM 799 CA THR A 51 3.685 -1.274 -11.951 1.00 0.00 C ATOM 800 C THR A 51 4.914 -2.132 -12.224 1.00 0.00 C ATOM 801 O THR A 51 5.273 -2.996 -11.423 1.00 0.00 O ATOM 802 CB THR A 51 3.742 -0.674 -10.545 1.00 0.00 C ATOM 803 OG1 THR A 51 2.626 0.172 -10.329 1.00 0.00 O ATOM 804 CG2 THR A 51 4.996 0.137 -10.284 1.00 0.00 C ATOM 0 H THR A 51 2.056 -2.364 -11.223 1.00 0.00 H new ATOM 0 HA THR A 51 3.662 -0.453 -12.668 1.00 0.00 H new ATOM 0 HB THR A 51 3.739 -1.524 -9.862 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.819 -0.373 -10.216 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.969 0.532 -9.268 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.873 -0.500 -10.402 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.049 0.963 -10.993 1.00 0.00 H new ATOM 812 N GLY A 52 5.542 -1.904 -13.372 1.00 0.00 N ATOM 813 CA GLY A 52 6.712 -2.679 -13.751 1.00 0.00 C ATOM 814 C GLY A 52 7.992 -2.232 -13.064 1.00 0.00 C ATOM 815 O GLY A 52 9.056 -2.221 -13.681 1.00 0.00 O ATOM 0 H GLY A 52 5.262 -1.195 -14.049 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.533 -3.728 -13.517 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.847 -2.611 -14.830 1.00 0.00 H new ATOM 819 N ALA A 53 7.896 -1.879 -11.786 1.00 0.00 N ATOM 820 CA ALA A 53 9.061 -1.446 -11.021 1.00 0.00 C ATOM 821 C ALA A 53 9.753 -0.255 -11.673 1.00 0.00 C ATOM 822 O ALA A 53 9.617 -0.021 -12.874 1.00 0.00 O ATOM 823 CB ALA A 53 10.040 -2.598 -10.860 1.00 0.00 C ATOM 0 H ALA A 53 7.023 -1.884 -11.258 1.00 0.00 H new ATOM 0 HA ALA A 53 8.713 -1.129 -10.038 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.905 -2.263 -10.288 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.553 -3.419 -10.334 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.365 -2.939 -11.843 1.00 0.00 H new ATOM 829 N GLY A 54 10.495 0.500 -10.869 1.00 0.00 N ATOM 830 CA GLY A 54 11.197 1.658 -11.381 1.00 0.00 C ATOM 831 C GLY A 54 10.259 2.799 -11.707 1.00 0.00 C ATOM 832 O GLY A 54 10.643 3.751 -12.386 1.00 0.00 O ATOM 0 H GLY A 54 10.621 0.329 -9.871 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.929 1.991 -10.645 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.750 1.378 -12.277 1.00 0.00 H new ATOM 836 N GLU A 55 9.023 2.707 -11.224 1.00 0.00 N ATOM 837 CA GLU A 55 8.037 3.746 -11.478 1.00 0.00 C ATOM 838 C GLU A 55 6.915 3.720 -10.447 1.00 0.00 C ATOM 839 O GLU A 55 6.714 2.724 -9.753 1.00 0.00 O ATOM 840 CB GLU A 55 7.451 3.588 -12.883 1.00 0.00 C ATOM 841 CG GLU A 55 7.160 2.147 -13.264 1.00 0.00 C ATOM 842 CD GLU A 55 6.006 2.024 -14.240 1.00 0.00 C ATOM 843 OE1 GLU A 55 5.066 2.842 -14.154 1.00 0.00 O ATOM 844 OE2 GLU A 55 6.044 1.112 -15.092 1.00 0.00 O ATOM 0 H GLU A 55 8.685 1.928 -10.659 1.00 0.00 H new ATOM 0 HA GLU A 55 8.545 4.707 -11.401 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.529 4.166 -12.950 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.146 4.013 -13.607 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.053 1.704 -13.705 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.932 1.576 -12.364 1.00 0.00 H new ATOM 851 N ARG A 56 6.183 4.826 -10.365 1.00 0.00 N ATOM 852 CA ARG A 56 5.068 4.945 -9.432 1.00 0.00 C ATOM 853 C ARG A 56 3.744 4.946 -10.188 1.00 0.00 C ATOM 854 O ARG A 56 3.667 5.431 -11.317 1.00 0.00 O ATOM 855 CB ARG A 56 5.201 6.226 -8.606 1.00 0.00 C ATOM 856 CG ARG A 56 5.620 7.438 -9.422 1.00 0.00 C ATOM 857 CD ARG A 56 5.289 8.736 -8.703 1.00 0.00 C ATOM 858 NE ARG A 56 5.724 9.908 -9.461 1.00 0.00 N ATOM 859 CZ ARG A 56 5.346 11.153 -9.181 1.00 0.00 C ATOM 860 NH1 ARG A 56 4.530 11.394 -8.162 1.00 0.00 N ATOM 861 NH2 ARG A 56 5.786 12.161 -9.922 1.00 0.00 N ATOM 0 H ARG A 56 6.343 5.656 -10.936 1.00 0.00 H new ATOM 0 HA ARG A 56 5.087 4.089 -8.758 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.247 6.437 -8.122 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.931 6.063 -7.813 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.691 7.393 -9.619 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.117 7.418 -10.389 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.214 8.793 -8.533 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.767 8.740 -7.723 1.00 0.00 H new ATOM 0 HE ARG A 56 6.354 9.763 -10.250 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.189 10.623 -7.588 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.244 12.350 -7.953 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.414 11.982 -10.706 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.497 13.115 -9.708 1.00 0.00 H new ATOM 875 N GLN A 57 2.704 4.398 -9.568 1.00 0.00 N ATOM 876 CA GLN A 57 1.389 4.342 -10.207 1.00 0.00 C ATOM 877 C GLN A 57 0.280 4.838 -9.292 1.00 0.00 C ATOM 878 O GLN A 57 0.003 4.249 -8.249 1.00 0.00 O ATOM 879 CB GLN A 57 1.052 2.915 -10.656 1.00 0.00 C ATOM 880 CG GLN A 57 1.618 2.556 -12.020 1.00 0.00 C ATOM 881 CD GLN A 57 0.559 2.535 -13.105 1.00 0.00 C ATOM 882 OE1 GLN A 57 -0.353 3.362 -13.114 1.00 0.00 O ATOM 883 NE2 GLN A 57 0.675 1.586 -14.027 1.00 0.00 N ATOM 0 H GLN A 57 2.742 3.990 -8.634 1.00 0.00 H new ATOM 0 HA GLN A 57 1.447 5.000 -11.074 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.434 2.211 -9.917 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.031 2.797 -10.679 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.393 3.274 -12.288 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.096 1.578 -11.965 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.447 0.921 -13.980 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.008 1.522 -14.782 1.00 0.00 H new ATOM 892 N SER A 58 -0.390 5.896 -9.716 1.00 0.00 N ATOM 893 CA SER A 58 -1.504 6.426 -8.966 1.00 0.00 C ATOM 894 C SER A 58 -2.780 6.104 -9.729 1.00 0.00 C ATOM 895 O SER A 58 -3.101 6.747 -10.728 1.00 0.00 O ATOM 896 CB SER A 58 -1.362 7.936 -8.765 1.00 0.00 C ATOM 897 OG SER A 58 -1.102 8.592 -9.994 1.00 0.00 O ATOM 0 H SER A 58 -0.178 6.401 -10.576 1.00 0.00 H new ATOM 0 HA SER A 58 -1.533 5.972 -7.976 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.275 8.335 -8.323 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.553 8.138 -8.063 1.00 0.00 H new ATOM 0 HG SER A 58 -1.759 8.307 -10.663 1.00 0.00 H new ATOM 903 N ILE A 59 -3.485 5.085 -9.266 1.00 0.00 N ATOM 904 CA ILE A 59 -4.713 4.643 -9.919 1.00 0.00 C ATOM 905 C ILE A 59 -5.917 5.436 -9.432 1.00 0.00 C ATOM 906 O ILE A 59 -6.390 5.248 -8.313 1.00 0.00 O ATOM 907 CB ILE A 59 -4.973 3.127 -9.712 1.00 0.00 C ATOM 908 CG1 ILE A 59 -4.082 2.569 -8.603 1.00 0.00 C ATOM 909 CG2 ILE A 59 -4.739 2.367 -11.008 1.00 0.00 C ATOM 910 CD1 ILE A 59 -4.481 1.195 -8.130 1.00 0.00 C ATOM 0 H ILE A 59 -3.230 4.545 -8.439 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.574 4.824 -10.985 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.013 2.998 -9.413 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.053 2.534 -8.961 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.102 3.254 -7.755 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.925 1.305 -10.846 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.415 2.741 -11.776 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.708 2.509 -11.332 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.801 0.869 -7.343 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.498 1.226 -7.740 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.433 0.495 -8.964 1.00 0.00 H new ATOM 922 N GLU A 60 -6.404 6.321 -10.292 1.00 0.00 N ATOM 923 CA GLU A 60 -7.555 7.152 -9.968 1.00 0.00 C ATOM 924 C GLU A 60 -8.830 6.549 -10.545 1.00 0.00 C ATOM 925 O GLU A 60 -9.042 6.556 -11.757 1.00 0.00 O ATOM 926 CB GLU A 60 -7.357 8.569 -10.509 1.00 0.00 C ATOM 927 CG GLU A 60 -7.969 9.646 -9.630 1.00 0.00 C ATOM 928 CD GLU A 60 -9.438 9.878 -9.928 1.00 0.00 C ATOM 929 OE1 GLU A 60 -10.184 8.882 -10.038 1.00 0.00 O ATOM 930 OE2 GLU A 60 -9.842 11.053 -10.049 1.00 0.00 O ATOM 0 H GLU A 60 -6.018 6.482 -11.222 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.650 7.197 -8.883 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.290 8.762 -10.616 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.794 8.633 -11.505 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.855 9.364 -8.583 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.422 10.578 -9.770 1.00 0.00 H new ATOM 937 N GLU A 61 -9.674 6.025 -9.666 1.00 0.00 N ATOM 938 CA GLU A 61 -10.930 5.413 -10.084 1.00 0.00 C ATOM 939 C GLU A 61 -12.118 6.207 -9.552 1.00 0.00 C ATOM 940 O GLU A 61 -11.953 7.132 -8.757 1.00 0.00 O ATOM 941 CB GLU A 61 -11.004 3.964 -9.596 1.00 0.00 C ATOM 942 CG GLU A 61 -11.017 2.943 -10.723 1.00 0.00 C ATOM 943 CD GLU A 61 -12.274 3.023 -11.566 1.00 0.00 C ATOM 944 OE1 GLU A 61 -13.371 2.778 -11.022 1.00 0.00 O ATOM 945 OE2 GLU A 61 -12.162 3.331 -12.772 1.00 0.00 O ATOM 0 H GLU A 61 -9.512 6.011 -8.659 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.969 5.420 -11.173 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.152 3.764 -8.946 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.903 3.838 -8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.146 3.099 -11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.929 1.941 -10.302 1.00 0.00 H new ATOM 952 N GLY A 62 -13.316 5.838 -9.991 1.00 0.00 N ATOM 953 CA GLY A 62 -14.513 6.525 -9.544 1.00 0.00 C ATOM 954 C GLY A 62 -14.878 6.173 -8.115 1.00 0.00 C ATOM 955 O GLY A 62 -15.995 5.734 -7.843 1.00 0.00 O ATOM 0 H GLY A 62 -13.480 5.075 -10.648 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.363 7.602 -9.624 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.343 6.270 -10.202 1.00 0.00 H new ATOM 959 N ASN A 63 -13.933 6.366 -7.203 1.00 0.00 N ATOM 960 CA ASN A 63 -14.153 6.067 -5.795 1.00 0.00 C ATOM 961 C ASN A 63 -12.976 6.537 -4.948 1.00 0.00 C ATOM 962 O ASN A 63 -13.161 7.146 -3.894 1.00 0.00 O ATOM 963 CB ASN A 63 -14.373 4.566 -5.598 1.00 0.00 C ATOM 964 CG ASN A 63 -15.316 4.264 -4.450 1.00 0.00 C ATOM 965 OD1 ASN A 63 -16.002 5.153 -3.947 1.00 0.00 O ATOM 966 ND2 ASN A 63 -15.355 3.004 -4.031 1.00 0.00 N ATOM 0 H ASN A 63 -13.004 6.730 -7.415 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.046 6.602 -5.471 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -14.774 4.137 -6.516 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -13.414 4.082 -5.413 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -15.972 2.741 -3.262 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -14.768 2.300 -4.478 1.00 0.00 H new ATOM 973 N TYR A 64 -11.765 6.250 -5.413 1.00 0.00 N ATOM 974 CA TYR A 64 -10.559 6.648 -4.692 1.00 0.00 C ATOM 975 C TYR A 64 -9.308 6.491 -5.552 1.00 0.00 C ATOM 976 O TYR A 64 -9.380 6.111 -6.721 1.00 0.00 O ATOM 977 CB TYR A 64 -10.409 5.832 -3.403 1.00 0.00 C ATOM 978 CG TYR A 64 -11.009 4.443 -3.476 1.00 0.00 C ATOM 979 CD1 TYR A 64 -10.384 3.431 -4.194 1.00 0.00 C ATOM 980 CD2 TYR A 64 -12.199 4.145 -2.823 1.00 0.00 C ATOM 981 CE1 TYR A 64 -10.929 2.162 -4.260 1.00 0.00 C ATOM 982 CE2 TYR A 64 -12.749 2.879 -2.884 1.00 0.00 C ATOM 983 CZ TYR A 64 -12.110 1.891 -3.605 1.00 0.00 C ATOM 984 OH TYR A 64 -12.656 0.630 -3.668 1.00 0.00 O ATOM 0 H TYR A 64 -11.591 5.745 -6.282 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.666 7.703 -4.441 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.350 5.746 -3.162 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -10.879 6.377 -2.584 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.458 3.639 -4.709 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -12.702 4.916 -2.258 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -10.431 1.386 -4.823 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -13.674 2.664 -2.370 1.00 0.00 H new ATOM 0 HH TYR A 64 -12.740 0.356 -4.605 1.00 0.00 H new ATOM 994 N ILE A 65 -8.164 6.795 -4.950 1.00 0.00 N ATOM 995 CA ILE A 65 -6.874 6.708 -5.626 1.00 0.00 C ATOM 996 C ILE A 65 -6.057 5.530 -5.102 1.00 0.00 C ATOM 997 O ILE A 65 -6.257 5.071 -3.977 1.00 0.00 O ATOM 998 CB ILE A 65 -6.057 8.010 -5.421 1.00 0.00 C ATOM 999 CG1 ILE A 65 -6.435 9.050 -6.473 1.00 0.00 C ATOM 1000 CG2 ILE A 65 -4.552 7.743 -5.459 1.00 0.00 C ATOM 1001 CD1 ILE A 65 -5.568 10.287 -6.416 1.00 0.00 C ATOM 0 H ILE A 65 -8.104 7.108 -3.981 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.075 6.564 -6.688 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.302 8.399 -4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.356 8.602 -7.464 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.478 9.337 -6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.013 8.679 -5.312 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.287 7.043 -4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.282 7.317 -6.425 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.885 10.989 -7.187 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.666 10.755 -5.437 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.527 10.010 -6.583 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.119 5.069 -5.920 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.259 3.974 -5.521 1.00 0.00 C ATOM 1015 C GLY A 66 -2.811 4.239 -5.871 1.00 0.00 C ATOM 1016 O GLY A 66 -2.278 3.680 -6.830 1.00 0.00 O ATOM 0 H GLY A 66 -4.939 5.436 -6.855 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.350 3.814 -4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.589 3.057 -6.009 1.00 0.00 H new ATOM 1020 N HIS A 67 -2.173 5.103 -5.091 1.00 0.00 N ATOM 1021 CA HIS A 67 -0.782 5.454 -5.321 1.00 0.00 C ATOM 1022 C HIS A 67 0.116 4.217 -5.288 1.00 0.00 C ATOM 1023 O HIS A 67 -0.164 3.252 -4.579 1.00 0.00 O ATOM 1024 CB HIS A 67 -0.310 6.470 -4.279 1.00 0.00 C ATOM 1025 CG HIS A 67 -1.082 7.753 -4.299 1.00 0.00 C ATOM 1026 ND1 HIS A 67 -1.012 8.659 -5.337 1.00 0.00 N ATOM 1027 CD2 HIS A 67 -1.946 8.280 -3.399 1.00 0.00 C ATOM 1028 CE1 HIS A 67 -1.799 9.688 -5.073 1.00 0.00 C ATOM 1029 NE2 HIS A 67 -2.376 9.483 -3.904 1.00 0.00 N ATOM 0 H HIS A 67 -2.600 5.573 -4.293 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.711 5.900 -6.313 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.389 6.024 -3.288 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.745 6.688 -4.448 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.242 7.837 -2.459 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -1.945 10.550 -5.707 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -3.035 10.115 -3.449 1.00 0.00 H new ATOM 1038 N VAL A 68 1.192 4.251 -6.064 1.00 0.00 N ATOM 1039 CA VAL A 68 2.130 3.135 -6.131 1.00 0.00 C ATOM 1040 C VAL A 68 3.570 3.637 -6.213 1.00 0.00 C ATOM 1041 O VAL A 68 3.857 4.629 -6.882 1.00 0.00 O ATOM 1042 CB VAL A 68 1.831 2.237 -7.360 1.00 0.00 C ATOM 1043 CG1 VAL A 68 3.080 1.578 -7.903 1.00 0.00 C ATOM 1044 CG2 VAL A 68 0.818 1.169 -7.038 1.00 0.00 C ATOM 0 H VAL A 68 1.438 5.042 -6.659 1.00 0.00 H new ATOM 0 HA VAL A 68 2.008 2.549 -5.220 1.00 0.00 H new ATOM 0 HB VAL A 68 1.424 2.902 -8.121 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.821 0.960 -8.762 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.792 2.344 -8.209 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.528 0.955 -7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.636 0.561 -7.924 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.199 0.536 -6.236 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.114 1.636 -6.720 1.00 0.00 H new ATOM 1054 N TYR A 69 4.473 2.924 -5.551 1.00 0.00 N ATOM 1055 CA TYR A 69 5.889 3.265 -5.565 1.00 0.00 C ATOM 1056 C TYR A 69 6.721 1.993 -5.455 1.00 0.00 C ATOM 1057 O TYR A 69 6.727 1.333 -4.416 1.00 0.00 O ATOM 1058 CB TYR A 69 6.238 4.216 -4.419 1.00 0.00 C ATOM 1059 CG TYR A 69 5.981 5.673 -4.729 1.00 0.00 C ATOM 1060 CD1 TYR A 69 6.941 6.447 -5.367 1.00 0.00 C ATOM 1061 CD2 TYR A 69 4.780 6.277 -4.377 1.00 0.00 C ATOM 1062 CE1 TYR A 69 6.713 7.780 -5.647 1.00 0.00 C ATOM 1063 CE2 TYR A 69 4.544 7.609 -4.654 1.00 0.00 C ATOM 1064 CZ TYR A 69 5.513 8.356 -5.289 1.00 0.00 C ATOM 1065 OH TYR A 69 5.282 9.685 -5.566 1.00 0.00 O ATOM 0 H TYR A 69 4.247 2.100 -4.994 1.00 0.00 H new ATOM 0 HA TYR A 69 6.113 3.770 -6.504 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.660 3.935 -3.539 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.290 4.090 -4.163 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.882 5.999 -5.649 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.019 5.695 -3.879 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.471 8.368 -6.144 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.605 8.063 -4.375 1.00 0.00 H new ATOM 0 HH TYR A 69 6.065 10.067 -6.014 1.00 0.00 H new ATOM 1075 N ALA A 70 7.406 1.644 -6.535 1.00 0.00 N ATOM 1076 CA ALA A 70 8.221 0.435 -6.556 1.00 0.00 C ATOM 1077 C ALA A 70 9.686 0.730 -6.257 1.00 0.00 C ATOM 1078 O ALA A 70 10.198 1.802 -6.580 1.00 0.00 O ATOM 1079 CB ALA A 70 8.085 -0.266 -7.898 1.00 0.00 C ATOM 0 H ALA A 70 7.415 2.177 -7.405 1.00 0.00 H new ATOM 0 HA ALA A 70 7.854 -0.223 -5.768 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.698 -1.167 -7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.042 -0.536 -8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.417 0.402 -8.693 1.00 0.00 H new ATOM 1085 N ARG A 71 10.355 -0.242 -5.643 1.00 0.00 N ATOM 1086 CA ARG A 71 11.766 -0.113 -5.297 1.00 0.00 C ATOM 1087 C ARG A 71 12.622 -0.064 -6.560 1.00 0.00 C ATOM 1088 O ARG A 71 12.099 -0.103 -7.673 1.00 0.00 O ATOM 1089 CB ARG A 71 12.196 -1.289 -4.411 1.00 0.00 C ATOM 1090 CG ARG A 71 13.220 -0.932 -3.341 1.00 0.00 C ATOM 1091 CD ARG A 71 12.824 0.314 -2.564 1.00 0.00 C ATOM 1092 NE ARG A 71 13.648 1.466 -2.924 1.00 0.00 N ATOM 1093 CZ ARG A 71 13.873 2.502 -2.118 1.00 0.00 C ATOM 1094 NH1 ARG A 71 13.334 2.542 -0.905 1.00 0.00 N ATOM 1095 NH2 ARG A 71 14.640 3.504 -2.526 1.00 0.00 N ATOM 0 H ARG A 71 9.938 -1.133 -5.374 1.00 0.00 H new ATOM 0 HA ARG A 71 11.909 0.817 -4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.312 -1.704 -3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 71 12.610 -2.073 -5.045 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.330 -1.769 -2.652 1.00 0.00 H new ATOM 0 HG3 ARG A 71 14.192 -0.774 -3.808 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.776 0.543 -2.756 1.00 0.00 H new ATOM 0 HD3 ARG A 71 12.918 0.120 -1.495 1.00 0.00 H new ATOM 0 HE ARG A 71 14.077 1.477 -3.849 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.743 1.775 -0.584 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.512 3.339 -0.294 1.00 0.00 H new ATOM 0 HH21 ARG A 71 15.057 3.481 -3.457 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.813 4.298 -1.909 1.00 0.00 H new ATOM 1109 N SER A 72 13.937 0.023 -6.379 1.00 0.00 N ATOM 1110 CA SER A 72 14.870 0.080 -7.504 1.00 0.00 C ATOM 1111 C SER A 72 14.498 -0.931 -8.589 1.00 0.00 C ATOM 1112 O SER A 72 14.409 -0.584 -9.767 1.00 0.00 O ATOM 1113 CB SER A 72 16.298 -0.179 -7.018 1.00 0.00 C ATOM 1114 OG SER A 72 17.207 0.741 -7.596 1.00 0.00 O ATOM 0 H SER A 72 14.383 0.056 -5.462 1.00 0.00 H new ATOM 0 HA SER A 72 14.810 1.079 -7.937 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.336 -0.099 -5.932 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.594 -1.197 -7.273 1.00 0.00 H new ATOM 0 HG SER A 72 18.112 0.556 -7.269 1.00 0.00 H new ATOM 1120 N GLU A 73 14.278 -2.180 -8.184 1.00 0.00 N ATOM 1121 CA GLU A 73 13.913 -3.234 -9.127 1.00 0.00 C ATOM 1122 C GLU A 73 13.740 -4.575 -8.420 1.00 0.00 C ATOM 1123 O GLU A 73 14.713 -5.179 -7.969 1.00 0.00 O ATOM 1124 CB GLU A 73 14.977 -3.363 -10.221 1.00 0.00 C ATOM 1125 CG GLU A 73 14.407 -3.699 -11.588 1.00 0.00 C ATOM 1126 CD GLU A 73 15.485 -3.910 -12.634 1.00 0.00 C ATOM 1127 OE1 GLU A 73 16.198 -2.937 -12.955 1.00 0.00 O ATOM 1128 OE2 GLU A 73 15.614 -5.048 -13.131 1.00 0.00 O ATOM 0 H GLU A 73 14.346 -2.486 -7.213 1.00 0.00 H new ATOM 0 HA GLU A 73 12.961 -2.957 -9.579 1.00 0.00 H new ATOM 0 HB2 GLU A 73 15.532 -2.427 -10.288 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.689 -4.136 -9.934 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.798 -4.600 -11.512 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.746 -2.894 -11.910 1.00 0.00 H new ATOM 1135 N GLY A 74 12.497 -5.041 -8.334 1.00 0.00 N ATOM 1136 CA GLY A 74 12.229 -6.314 -7.689 1.00 0.00 C ATOM 1137 C GLY A 74 10.910 -6.331 -6.944 1.00 0.00 C ATOM 1138 O GLY A 74 9.896 -6.773 -7.480 1.00 0.00 O ATOM 0 H GLY A 74 11.674 -4.562 -8.698 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.226 -7.103 -8.441 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.037 -6.540 -6.993 1.00 0.00 H new ATOM 1142 N ILE A 75 10.927 -5.852 -5.704 1.00 0.00 N ATOM 1143 CA ILE A 75 9.723 -5.818 -4.874 1.00 0.00 C ATOM 1144 C ILE A 75 9.229 -4.381 -4.708 1.00 0.00 C ATOM 1145 O ILE A 75 9.982 -3.493 -4.308 1.00 0.00 O ATOM 1146 CB ILE A 75 9.965 -6.496 -3.489 1.00 0.00 C ATOM 1147 CG1 ILE A 75 9.295 -5.727 -2.343 1.00 0.00 C ATOM 1148 CG2 ILE A 75 11.451 -6.662 -3.207 1.00 0.00 C ATOM 1149 CD1 ILE A 75 10.115 -4.570 -1.803 1.00 0.00 C ATOM 0 H ILE A 75 11.761 -5.481 -5.249 1.00 0.00 H new ATOM 0 HA ILE A 75 8.947 -6.390 -5.382 1.00 0.00 H new ATOM 0 HB ILE A 75 9.505 -7.483 -3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.335 -5.346 -2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.087 -6.421 -1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.586 -7.137 -2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 75 11.901 -7.284 -3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.932 -5.684 -3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.568 -4.082 -0.997 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.065 -4.944 -1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.301 -3.852 -2.602 1.00 0.00 H new ATOM 1161 N CYS A 76 7.959 -4.161 -5.047 1.00 0.00 N ATOM 1162 CA CYS A 76 7.357 -2.834 -4.967 1.00 0.00 C ATOM 1163 C CYS A 76 6.265 -2.768 -3.904 1.00 0.00 C ATOM 1164 O CYS A 76 5.700 -3.786 -3.508 1.00 0.00 O ATOM 1165 CB CYS A 76 6.771 -2.449 -6.326 1.00 0.00 C ATOM 1166 SG CYS A 76 5.400 -3.498 -6.864 1.00 0.00 S ATOM 0 H CYS A 76 7.327 -4.889 -5.381 1.00 0.00 H new ATOM 0 HA CYS A 76 8.142 -2.132 -4.685 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.428 -1.415 -6.282 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.562 -2.490 -7.075 1.00 0.00 H new ATOM 0 HG CYS A 76 5.142 -4.381 -5.945 1.00 0.00 H new ATOM 1172 N GLY A 77 5.964 -1.549 -3.463 1.00 0.00 N ATOM 1173 CA GLY A 77 4.930 -1.343 -2.466 1.00 0.00 C ATOM 1174 C GLY A 77 3.762 -0.567 -3.032 1.00 0.00 C ATOM 1175 O GLY A 77 3.936 0.224 -3.959 1.00 0.00 O ATOM 0 H GLY A 77 6.422 -0.695 -3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.582 -2.308 -2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.346 -0.806 -1.614 1.00 0.00 H new ATOM 1179 N VAL A 78 2.563 -0.792 -2.497 1.00 0.00 N ATOM 1180 CA VAL A 78 1.390 -0.094 -3.002 1.00 0.00 C ATOM 1181 C VAL A 78 0.697 0.737 -1.919 1.00 0.00 C ATOM 1182 O VAL A 78 0.713 0.391 -0.734 1.00 0.00 O ATOM 1183 CB VAL A 78 0.386 -1.084 -3.637 1.00 0.00 C ATOM 1184 CG1 VAL A 78 -1.011 -0.491 -3.724 1.00 0.00 C ATOM 1185 CG2 VAL A 78 0.872 -1.523 -5.012 1.00 0.00 C ATOM 0 H VAL A 78 2.383 -1.439 -1.730 1.00 0.00 H new ATOM 0 HA VAL A 78 1.743 0.594 -3.770 1.00 0.00 H new ATOM 0 HB VAL A 78 0.328 -1.959 -2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.687 -1.217 -4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.363 -0.241 -2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.986 0.411 -4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.155 -2.220 -5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.969 -0.651 -5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.841 -2.013 -4.916 1.00 0.00 H new ATOM 1195 N LEU A 79 0.088 1.838 -2.359 1.00 0.00 N ATOM 1196 CA LEU A 79 -0.625 2.752 -1.468 1.00 0.00 C ATOM 1197 C LEU A 79 -1.976 3.152 -2.071 1.00 0.00 C ATOM 1198 O LEU A 79 -2.023 3.720 -3.158 1.00 0.00 O ATOM 1199 CB LEU A 79 0.223 4.005 -1.236 1.00 0.00 C ATOM 1200 CG LEU A 79 0.235 4.533 0.195 1.00 0.00 C ATOM 1201 CD1 LEU A 79 1.148 5.744 0.305 1.00 0.00 C ATOM 1202 CD2 LEU A 79 -1.175 4.893 0.631 1.00 0.00 C ATOM 0 H LEU A 79 0.075 2.120 -3.339 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.803 2.246 -0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.249 3.789 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.140 4.795 -1.893 1.00 0.00 H new ATOM 0 HG LEU A 79 0.616 3.752 0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.146 6.109 1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.162 5.462 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.791 6.530 -0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.155 5.269 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.575 5.662 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.808 4.007 0.582 1.00 0.00 H new ATOM 1214 N ILE A 80 -3.075 2.872 -1.372 1.00 0.00 N ATOM 1215 CA ILE A 80 -4.400 3.237 -1.885 1.00 0.00 C ATOM 1216 C ILE A 80 -5.172 4.109 -0.900 1.00 0.00 C ATOM 1217 O ILE A 80 -5.494 3.685 0.208 1.00 0.00 O ATOM 1218 CB ILE A 80 -5.274 2.008 -2.258 1.00 0.00 C ATOM 1219 CG1 ILE A 80 -4.642 0.700 -1.781 1.00 0.00 C ATOM 1220 CG2 ILE A 80 -5.517 1.967 -3.761 1.00 0.00 C ATOM 1221 CD1 ILE A 80 -3.720 0.053 -2.786 1.00 0.00 C ATOM 0 H ILE A 80 -3.079 2.403 -0.466 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.200 3.802 -2.796 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.231 2.115 -1.748 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.084 0.893 -0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.436 -0.003 -1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.131 1.100 -4.007 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.032 2.876 -4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.562 1.895 -4.282 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.315 -0.869 -2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.276 -0.175 -3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.903 0.735 -3.021 1.00 0.00 H new ATOM 1233 N THR A 81 -5.478 5.330 -1.331 1.00 0.00 N ATOM 1234 CA THR A 81 -6.228 6.274 -0.511 1.00 0.00 C ATOM 1235 C THR A 81 -7.253 7.017 -1.361 1.00 0.00 C ATOM 1236 O THR A 81 -7.444 6.687 -2.527 1.00 0.00 O ATOM 1237 CB THR A 81 -5.288 7.257 0.195 1.00 0.00 C ATOM 1238 OG1 THR A 81 -5.988 8.412 0.619 1.00 0.00 O ATOM 1239 CG2 THR A 81 -4.130 7.714 -0.659 1.00 0.00 C ATOM 0 H THR A 81 -5.216 5.689 -2.249 1.00 0.00 H new ATOM 0 HA THR A 81 -6.759 5.713 0.258 1.00 0.00 H new ATOM 0 HB THR A 81 -4.890 6.700 1.043 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.414 8.944 1.209 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.510 8.407 -0.091 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.533 6.851 -0.954 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.510 8.214 -1.550 1.00 0.00 H new ATOM 1247 N ASP A 82 -7.924 8.003 -0.773 1.00 0.00 N ATOM 1248 CA ASP A 82 -8.942 8.770 -1.483 1.00 0.00 C ATOM 1249 C ASP A 82 -8.318 9.773 -2.449 1.00 0.00 C ATOM 1250 O ASP A 82 -7.131 10.086 -2.359 1.00 0.00 O ATOM 1251 CB ASP A 82 -9.839 9.499 -0.481 1.00 0.00 C ATOM 1252 CG ASP A 82 -11.102 10.042 -1.119 1.00 0.00 C ATOM 1253 OD1 ASP A 82 -11.417 9.632 -2.257 1.00 0.00 O ATOM 1254 OD2 ASP A 82 -11.778 10.877 -0.482 1.00 0.00 O ATOM 0 H ASP A 82 -7.781 8.290 0.195 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.540 8.071 -2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.108 8.816 0.325 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.282 10.320 -0.030 1.00 0.00 H new ATOM 1259 N LYS A 83 -9.134 10.270 -3.377 1.00 0.00 N ATOM 1260 CA LYS A 83 -8.674 11.238 -4.367 1.00 0.00 C ATOM 1261 C LYS A 83 -8.179 12.513 -3.691 1.00 0.00 C ATOM 1262 O LYS A 83 -7.289 13.192 -4.205 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.797 11.569 -5.351 1.00 0.00 C ATOM 1264 CG LYS A 83 -11.038 12.145 -4.688 1.00 0.00 C ATOM 1265 CD LYS A 83 -12.306 11.717 -5.412 1.00 0.00 C ATOM 1266 CE LYS A 83 -13.547 11.993 -4.578 1.00 0.00 C ATOM 1267 NZ LYS A 83 -14.400 10.781 -4.433 1.00 0.00 N ATOM 0 H LYS A 83 -10.118 10.017 -3.463 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.843 10.793 -4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.425 12.281 -6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.072 10.664 -5.893 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.082 11.817 -3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.974 13.233 -4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.380 12.247 -6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.252 10.653 -5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.250 12.348 -3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.126 12.791 -5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.235 11.011 -3.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.705 10.457 -5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.856 10.027 -3.967 1.00 0.00 H new ATOM 1281 N GLN A 84 -8.749 12.826 -2.530 1.00 0.00 N ATOM 1282 CA GLN A 84 -8.351 14.014 -1.779 1.00 0.00 C ATOM 1283 C GLN A 84 -7.208 13.677 -0.825 1.00 0.00 C ATOM 1284 O GLN A 84 -7.161 14.157 0.308 1.00 0.00 O ATOM 1285 CB GLN A 84 -9.539 14.580 -1.001 1.00 0.00 C ATOM 1286 CG GLN A 84 -10.424 15.499 -1.828 1.00 0.00 C ATOM 1287 CD GLN A 84 -10.880 16.721 -1.056 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -12.069 17.038 -1.018 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -9.933 17.414 -0.433 1.00 0.00 N ATOM 0 H GLN A 84 -9.486 12.275 -2.090 1.00 0.00 H new ATOM 0 HA GLN A 84 -8.008 14.770 -2.485 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.141 13.754 -0.621 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -9.168 15.129 -0.135 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.880 15.818 -2.717 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.297 14.944 -2.171 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.960 17.115 -0.492 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.179 18.245 0.104 1.00 0.00 H new ATOM 1298 N TYR A 85 -6.292 12.846 -1.305 1.00 0.00 N ATOM 1299 CA TYR A 85 -5.137 12.418 -0.539 1.00 0.00 C ATOM 1300 C TYR A 85 -3.895 12.550 -1.414 1.00 0.00 C ATOM 1301 O TYR A 85 -3.421 11.572 -1.991 1.00 0.00 O ATOM 1302 CB TYR A 85 -5.338 10.970 -0.091 1.00 0.00 C ATOM 1303 CG TYR A 85 -4.352 10.480 0.947 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -3.039 10.184 0.603 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -4.742 10.286 2.267 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -2.146 9.711 1.539 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -3.852 9.816 3.209 1.00 0.00 C ATOM 1308 CZ TYR A 85 -2.557 9.529 2.839 1.00 0.00 C ATOM 1309 OH TYR A 85 -1.668 9.059 3.772 1.00 0.00 O ATOM 0 H TYR A 85 -6.333 12.449 -2.244 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.013 13.038 0.349 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.346 10.866 0.310 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.274 10.323 -0.966 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.713 10.327 -0.416 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.758 10.507 2.559 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -1.129 9.484 1.254 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -4.169 9.674 4.232 1.00 0.00 H new ATOM 0 HH TYR A 85 -1.569 9.718 4.491 1.00 0.00 H new ATOM 1319 N PRO A 86 -3.378 13.783 -1.544 1.00 0.00 N ATOM 1320 CA PRO A 86 -2.209 14.093 -2.365 1.00 0.00 C ATOM 1321 C PRO A 86 -1.189 12.961 -2.441 1.00 0.00 C ATOM 1322 O PRO A 86 -1.060 12.156 -1.518 1.00 0.00 O ATOM 1323 CB PRO A 86 -1.634 15.297 -1.638 1.00 0.00 C ATOM 1324 CG PRO A 86 -2.831 16.032 -1.131 1.00 0.00 C ATOM 1325 CD PRO A 86 -3.912 15.001 -0.906 1.00 0.00 C ATOM 0 HA PRO A 86 -2.470 14.264 -3.410 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.979 14.993 -0.821 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.040 15.919 -2.308 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.599 16.557 -0.205 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.157 16.783 -1.850 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.101 14.846 0.156 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.856 15.307 -1.357 1.00 0.00 H new ATOM 1333 N VAL A 87 -0.474 12.905 -3.561 1.00 0.00 N ATOM 1334 CA VAL A 87 0.535 11.878 -3.786 1.00 0.00 C ATOM 1335 C VAL A 87 1.839 12.187 -3.050 1.00 0.00 C ATOM 1336 O VAL A 87 2.587 11.275 -2.698 1.00 0.00 O ATOM 1337 CB VAL A 87 0.831 11.709 -5.289 1.00 0.00 C ATOM 1338 CG1 VAL A 87 1.340 13.010 -5.888 1.00 0.00 C ATOM 1339 CG2 VAL A 87 1.826 10.581 -5.517 1.00 0.00 C ATOM 0 H VAL A 87 -0.577 13.565 -4.332 1.00 0.00 H new ATOM 0 HA VAL A 87 0.124 10.949 -3.390 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.100 11.447 -5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.542 12.867 -6.949 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.586 13.787 -5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.257 13.310 -5.381 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.021 10.478 -6.584 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.757 10.807 -4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.413 9.648 -5.132 1.00 0.00 H new ATOM 1349 N ARG A 88 2.119 13.471 -2.830 1.00 0.00 N ATOM 1350 CA ARG A 88 3.349 13.873 -2.148 1.00 0.00 C ATOM 1351 C ARG A 88 3.504 13.140 -0.819 1.00 0.00 C ATOM 1352 O ARG A 88 4.529 12.507 -0.574 1.00 0.00 O ATOM 1353 CB ARG A 88 3.391 15.387 -1.933 1.00 0.00 C ATOM 1354 CG ARG A 88 2.925 16.178 -3.143 1.00 0.00 C ATOM 1355 CD ARG A 88 3.963 17.198 -3.579 1.00 0.00 C ATOM 1356 NE ARG A 88 3.352 18.446 -4.033 1.00 0.00 N ATOM 1357 CZ ARG A 88 2.870 18.632 -5.260 1.00 0.00 C ATOM 1358 NH1 ARG A 88 2.915 17.654 -6.156 1.00 0.00 N ATOM 1359 NH2 ARG A 88 2.337 19.801 -5.591 1.00 0.00 N ATOM 0 H ARG A 88 1.517 14.245 -3.111 1.00 0.00 H new ATOM 0 HA ARG A 88 4.186 13.597 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.766 15.643 -1.077 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.410 15.684 -1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.717 15.495 -3.967 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.990 16.687 -2.907 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.637 17.406 -2.748 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.568 16.778 -4.383 1.00 0.00 H new ATOM 0 HE ARG A 88 3.291 19.220 -3.371 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.321 16.752 -5.907 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.544 17.804 -7.094 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.297 20.556 -4.906 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.967 19.945 -6.531 1.00 0.00 H new ATOM 1373 N PRO A 89 2.484 13.190 0.055 1.00 0.00 N ATOM 1374 CA PRO A 89 2.531 12.498 1.339 1.00 0.00 C ATOM 1375 C PRO A 89 2.449 10.996 1.138 1.00 0.00 C ATOM 1376 O PRO A 89 3.020 10.222 1.906 1.00 0.00 O ATOM 1377 CB PRO A 89 1.301 13.020 2.100 1.00 0.00 C ATOM 1378 CG PRO A 89 0.767 14.150 1.277 1.00 0.00 C ATOM 1379 CD PRO A 89 1.207 13.886 -0.135 1.00 0.00 C ATOM 0 HA PRO A 89 3.459 12.682 1.881 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.553 12.236 2.221 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.573 13.358 3.100 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.320 14.200 1.343 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.152 15.106 1.632 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.487 13.272 -0.676 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.328 14.809 -0.702 1.00 0.00 H new ATOM 1387 N ALA A 90 1.771 10.589 0.069 1.00 0.00 N ATOM 1388 CA ALA A 90 1.664 9.182 -0.259 1.00 0.00 C ATOM 1389 C ALA A 90 3.040 8.678 -0.649 1.00 0.00 C ATOM 1390 O ALA A 90 3.389 7.524 -0.404 1.00 0.00 O ATOM 1391 CB ALA A 90 0.663 8.961 -1.383 1.00 0.00 C ATOM 0 H ALA A 90 1.292 11.215 -0.579 1.00 0.00 H new ATOM 0 HA ALA A 90 1.301 8.627 0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.601 7.897 -1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.317 9.324 -1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.987 9.504 -2.271 1.00 0.00 H new ATOM 1397 N TYR A 91 3.836 9.579 -1.226 1.00 0.00 N ATOM 1398 CA TYR A 91 5.193 9.249 -1.608 1.00 0.00 C ATOM 1399 C TYR A 91 6.021 9.071 -0.345 1.00 0.00 C ATOM 1400 O TYR A 91 6.782 8.112 -0.212 1.00 0.00 O ATOM 1401 CB TYR A 91 5.794 10.345 -2.494 1.00 0.00 C ATOM 1402 CG TYR A 91 7.266 10.155 -2.787 1.00 0.00 C ATOM 1403 CD1 TYR A 91 7.780 8.896 -3.076 1.00 0.00 C ATOM 1404 CD2 TYR A 91 8.142 11.233 -2.773 1.00 0.00 C ATOM 1405 CE1 TYR A 91 9.125 8.719 -3.342 1.00 0.00 C ATOM 1406 CE2 TYR A 91 9.488 11.064 -3.037 1.00 0.00 C ATOM 1407 CZ TYR A 91 9.974 9.805 -3.322 1.00 0.00 C ATOM 1408 OH TYR A 91 11.313 9.632 -3.586 1.00 0.00 O ATOM 0 H TYR A 91 3.558 10.538 -1.435 1.00 0.00 H new ATOM 0 HA TYR A 91 5.194 8.325 -2.185 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.247 10.378 -3.436 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.651 11.310 -2.009 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.118 8.043 -3.093 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.765 12.220 -2.552 1.00 0.00 H new ATOM 0 HE1 TYR A 91 9.509 7.734 -3.564 1.00 0.00 H new ATOM 0 HE2 TYR A 91 10.155 11.913 -3.020 1.00 0.00 H new ATOM 0 HH TYR A 91 11.771 10.497 -3.533 1.00 0.00 H new ATOM 1418 N THR A 92 5.834 9.992 0.605 1.00 0.00 N ATOM 1419 CA THR A 92 6.534 9.920 1.877 1.00 0.00 C ATOM 1420 C THR A 92 6.137 8.643 2.595 1.00 0.00 C ATOM 1421 O THR A 92 6.972 7.950 3.178 1.00 0.00 O ATOM 1422 CB THR A 92 6.194 11.129 2.744 1.00 0.00 C ATOM 1423 OG1 THR A 92 6.359 12.333 2.016 1.00 0.00 O ATOM 1424 CG2 THR A 92 7.039 11.225 3.994 1.00 0.00 C ATOM 0 H THR A 92 5.206 10.790 0.512 1.00 0.00 H new ATOM 0 HA THR A 92 7.608 9.920 1.692 1.00 0.00 H new ATOM 0 HB THR A 92 5.154 10.989 3.039 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.134 13.095 2.589 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.746 12.106 4.565 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.891 10.333 4.603 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.090 11.305 3.717 1.00 0.00 H new ATOM 1432 N LEU A 93 4.846 8.330 2.527 1.00 0.00 N ATOM 1433 CA LEU A 93 4.320 7.126 3.147 1.00 0.00 C ATOM 1434 C LEU A 93 4.946 5.907 2.506 1.00 0.00 C ATOM 1435 O LEU A 93 5.512 5.050 3.186 1.00 0.00 O ATOM 1436 CB LEU A 93 2.796 7.071 3.008 1.00 0.00 C ATOM 1437 CG LEU A 93 2.107 5.930 3.765 1.00 0.00 C ATOM 1438 CD1 LEU A 93 2.466 4.582 3.156 1.00 0.00 C ATOM 1439 CD2 LEU A 93 2.482 5.965 5.239 1.00 0.00 C ATOM 0 H LEU A 93 4.147 8.897 2.047 1.00 0.00 H new ATOM 0 HA LEU A 93 4.567 7.141 4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.382 8.017 3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.548 6.985 1.950 1.00 0.00 H new ATOM 0 HG LEU A 93 1.029 6.067 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.965 3.788 3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.145 4.556 2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.545 4.435 3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.984 5.148 5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.562 5.857 5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.170 6.916 5.671 1.00 0.00 H new ATOM 1451 N LEU A 94 4.863 5.843 1.183 1.00 0.00 N ATOM 1452 CA LEU A 94 5.444 4.737 0.453 1.00 0.00 C ATOM 1453 C LEU A 94 6.971 4.784 0.557 1.00 0.00 C ATOM 1454 O LEU A 94 7.661 3.843 0.160 1.00 0.00 O ATOM 1455 CB LEU A 94 5.000 4.757 -1.011 1.00 0.00 C ATOM 1456 CG LEU A 94 4.489 3.415 -1.544 1.00 0.00 C ATOM 1457 CD1 LEU A 94 5.626 2.409 -1.636 1.00 0.00 C ATOM 1458 CD2 LEU A 94 3.369 2.874 -0.666 1.00 0.00 C ATOM 0 H LEU A 94 4.401 6.542 0.602 1.00 0.00 H new ATOM 0 HA LEU A 94 5.092 3.805 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.213 5.502 -1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.839 5.081 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 94 4.089 3.578 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.244 1.462 -2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.393 2.788 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.057 2.255 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.023 1.920 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.740 2.730 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.542 3.584 -0.653 1.00 0.00 H new ATOM 1470 N ASN A 95 7.491 5.879 1.116 1.00 0.00 N ATOM 1471 CA ASN A 95 8.930 6.034 1.292 1.00 0.00 C ATOM 1472 C ASN A 95 9.412 5.210 2.478 1.00 0.00 C ATOM 1473 O ASN A 95 10.348 4.419 2.362 1.00 0.00 O ATOM 1474 CB ASN A 95 9.293 7.507 1.499 1.00 0.00 C ATOM 1475 CG ASN A 95 10.749 7.791 1.188 1.00 0.00 C ATOM 1476 OD1 ASN A 95 11.643 7.302 2.038 1.00 0.00 O flip ATOM 1477 ND2 ASN A 95 11.067 8.445 0.194 1.00 0.00 N flip ATOM 0 H ASN A 95 6.937 6.667 1.452 1.00 0.00 H new ATOM 0 HA ASN A 95 9.423 5.676 0.388 1.00 0.00 H new ATOM 0 HB2 ASN A 95 8.661 8.127 0.864 1.00 0.00 H new ATOM 0 HB3 ASN A 95 9.083 7.789 2.531 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.346 8.802 -0.433 1.00 0.00 H new ATOM 0 HD22 ASN A 95 12.051 8.629 -0.002 1.00 0.00 H new ATOM 1484 N LYS A 96 8.763 5.406 3.622 1.00 0.00 N ATOM 1485 CA LYS A 96 9.117 4.685 4.839 1.00 0.00 C ATOM 1486 C LYS A 96 8.786 3.202 4.711 1.00 0.00 C ATOM 1487 O LYS A 96 9.503 2.351 5.231 1.00 0.00 O ATOM 1488 CB LYS A 96 8.383 5.281 6.042 1.00 0.00 C ATOM 1489 CG LYS A 96 9.190 6.330 6.791 1.00 0.00 C ATOM 1490 CD LYS A 96 9.939 5.722 7.967 1.00 0.00 C ATOM 1491 CE LYS A 96 11.423 5.574 7.670 1.00 0.00 C ATOM 1492 NZ LYS A 96 11.927 4.220 8.028 1.00 0.00 N ATOM 0 H LYS A 96 7.988 6.060 3.731 1.00 0.00 H new ATOM 0 HA LYS A 96 10.192 4.786 4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.449 5.728 5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.120 4.478 6.730 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.900 6.799 6.110 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.524 7.115 7.149 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.805 6.349 8.848 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.516 4.746 8.203 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.602 5.760 6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.981 6.328 8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.942 4.159 7.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.780 4.052 9.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.412 3.502 7.480 1.00 0.00 H new ATOM 1506 N ILE A 97 7.691 2.900 4.020 1.00 0.00 N ATOM 1507 CA ILE A 97 7.257 1.527 3.823 1.00 0.00 C ATOM 1508 C ILE A 97 8.267 0.740 2.992 1.00 0.00 C ATOM 1509 O ILE A 97 8.736 -0.317 3.408 1.00 0.00 O ATOM 1510 CB ILE A 97 5.877 1.513 3.149 1.00 0.00 C ATOM 1511 CG1 ILE A 97 5.179 0.177 3.307 1.00 0.00 C ATOM 1512 CG2 ILE A 97 5.966 1.870 1.682 1.00 0.00 C ATOM 1513 CD1 ILE A 97 3.851 0.159 2.594 1.00 0.00 C ATOM 0 H ILE A 97 7.086 3.596 3.585 1.00 0.00 H new ATOM 0 HA ILE A 97 7.186 1.044 4.798 1.00 0.00 H new ATOM 0 HB ILE A 97 5.284 2.273 3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.815 -0.616 2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.027 -0.032 4.366 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.969 1.849 1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.389 2.869 1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.604 1.150 1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.379 -0.814 2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.206 0.935 3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.006 0.343 1.531 1.00 0.00 H new ATOM 1525 N LEU A 98 8.609 1.262 1.821 1.00 0.00 N ATOM 1526 CA LEU A 98 9.575 0.597 0.956 1.00 0.00 C ATOM 1527 C LEU A 98 10.902 0.445 1.690 1.00 0.00 C ATOM 1528 O LEU A 98 11.542 -0.605 1.634 1.00 0.00 O ATOM 1529 CB LEU A 98 9.766 1.382 -0.345 1.00 0.00 C ATOM 1530 CG LEU A 98 9.447 0.601 -1.622 1.00 0.00 C ATOM 1531 CD1 LEU A 98 8.100 -0.100 -1.504 1.00 0.00 C ATOM 1532 CD2 LEU A 98 9.466 1.528 -2.828 1.00 0.00 C ATOM 0 H LEU A 98 8.236 2.136 1.451 1.00 0.00 H new ATOM 0 HA LEU A 98 9.196 -0.392 0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.135 2.270 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 98 10.799 1.727 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 98 10.214 -0.161 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.894 -0.649 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.124 -0.794 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.317 0.641 -1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.237 0.958 -3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.721 2.312 -2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.454 1.979 -2.925 1.00 0.00 H new ATOM 1544 N ASP A 99 11.286 1.492 2.410 1.00 0.00 N ATOM 1545 CA ASP A 99 12.512 1.471 3.191 1.00 0.00 C ATOM 1546 C ASP A 99 12.327 0.558 4.394 1.00 0.00 C ATOM 1547 O ASP A 99 13.281 -0.028 4.906 1.00 0.00 O ATOM 1548 CB ASP A 99 12.883 2.884 3.648 1.00 0.00 C ATOM 1549 CG ASP A 99 13.901 3.539 2.735 1.00 0.00 C ATOM 1550 OD1 ASP A 99 13.485 4.183 1.749 1.00 0.00 O ATOM 1551 OD2 ASP A 99 15.113 3.407 3.005 1.00 0.00 O ATOM 0 H ASP A 99 10.764 2.366 2.468 1.00 0.00 H new ATOM 0 HA ASP A 99 13.324 1.092 2.571 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.984 3.499 3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.282 2.842 4.661 1.00 0.00 H new ATOM 1556 N GLU A 100 11.075 0.438 4.829 1.00 0.00 N ATOM 1557 CA GLU A 100 10.728 -0.408 5.958 1.00 0.00 C ATOM 1558 C GLU A 100 10.901 -1.871 5.580 1.00 0.00 C ATOM 1559 O GLU A 100 11.564 -2.628 6.289 1.00 0.00 O ATOM 1560 CB GLU A 100 9.298 -0.123 6.414 1.00 0.00 C ATOM 1561 CG GLU A 100 8.781 -1.108 7.451 1.00 0.00 C ATOM 1562 CD GLU A 100 9.583 -1.075 8.737 1.00 0.00 C ATOM 1563 OE1 GLU A 100 10.272 -0.063 8.982 1.00 0.00 O ATOM 1564 OE2 GLU A 100 9.521 -2.062 9.500 1.00 0.00 O ATOM 0 H GLU A 100 10.281 0.922 4.410 1.00 0.00 H new ATOM 0 HA GLU A 100 11.396 -0.187 6.791 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.252 0.884 6.827 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.638 -0.142 5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.738 -0.883 7.672 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.809 -2.115 7.036 1.00 0.00 H new ATOM 1571 N TYR A 101 10.335 -2.262 4.440 1.00 0.00 N ATOM 1572 CA TYR A 101 10.480 -3.631 3.971 1.00 0.00 C ATOM 1573 C TYR A 101 11.952 -3.911 3.691 1.00 0.00 C ATOM 1574 O TYR A 101 12.414 -5.045 3.795 1.00 0.00 O ATOM 1575 CB TYR A 101 9.654 -3.895 2.714 1.00 0.00 C ATOM 1576 CG TYR A 101 9.552 -5.372 2.396 1.00 0.00 C ATOM 1577 CD1 TYR A 101 8.565 -6.162 2.975 1.00 0.00 C ATOM 1578 CD2 TYR A 101 10.459 -5.980 1.537 1.00 0.00 C ATOM 1579 CE1 TYR A 101 8.485 -7.517 2.705 1.00 0.00 C ATOM 1580 CE2 TYR A 101 10.388 -7.336 1.269 1.00 0.00 C ATOM 1581 CZ TYR A 101 9.401 -8.096 1.855 1.00 0.00 C ATOM 1582 OH TYR A 101 9.334 -9.446 1.594 1.00 0.00 O ATOM 0 H TYR A 101 9.780 -1.657 3.834 1.00 0.00 H new ATOM 0 HA TYR A 101 10.110 -4.297 4.750 1.00 0.00 H new ATOM 0 HB2 TYR A 101 8.653 -3.484 2.846 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.104 -3.374 1.869 1.00 0.00 H new ATOM 0 HD1 TYR A 101 7.849 -5.711 3.646 1.00 0.00 H new ATOM 0 HD2 TYR A 101 11.231 -5.386 1.071 1.00 0.00 H new ATOM 0 HE1 TYR A 101 7.709 -8.117 3.158 1.00 0.00 H new ATOM 0 HE2 TYR A 101 11.104 -7.796 0.603 1.00 0.00 H new ATOM 0 HH TYR A 101 9.799 -9.939 2.302 1.00 0.00 H new ATOM 1592 N LEU A 102 12.677 -2.854 3.328 1.00 0.00 N ATOM 1593 CA LEU A 102 14.099 -2.950 3.023 1.00 0.00 C ATOM 1594 C LEU A 102 14.931 -3.124 4.292 1.00 0.00 C ATOM 1595 O LEU A 102 15.923 -3.851 4.298 1.00 0.00 O ATOM 1596 CB LEU A 102 14.558 -1.687 2.287 1.00 0.00 C ATOM 1597 CG LEU A 102 14.548 -1.768 0.759 1.00 0.00 C ATOM 1598 CD1 LEU A 102 13.200 -2.254 0.250 1.00 0.00 C ATOM 1599 CD2 LEU A 102 14.888 -0.412 0.163 1.00 0.00 C ATOM 0 H LEU A 102 12.295 -1.912 3.238 1.00 0.00 H new ATOM 0 HA LEU A 102 14.247 -3.826 2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.919 -0.858 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 102 15.570 -1.446 2.613 1.00 0.00 H new ATOM 0 HG LEU A 102 15.304 -2.488 0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 102 13.218 -2.303 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.994 -3.245 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.420 -1.563 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 102 14.878 -0.480 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 102 14.151 0.323 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 102 15.879 -0.105 0.499 1.00 0.00 H new ATOM 1611 N VAL A 103 14.536 -2.435 5.360 1.00 0.00 N ATOM 1612 CA VAL A 103 15.266 -2.503 6.622 1.00 0.00 C ATOM 1613 C VAL A 103 15.081 -3.839 7.321 1.00 0.00 C ATOM 1614 O VAL A 103 16.055 -4.460 7.749 1.00 0.00 O ATOM 1615 CB VAL A 103 14.846 -1.382 7.590 1.00 0.00 C ATOM 1616 CG1 VAL A 103 15.251 -1.739 9.013 1.00 0.00 C ATOM 1617 CG2 VAL A 103 15.453 -0.053 7.169 1.00 0.00 C ATOM 0 H VAL A 103 13.718 -1.826 5.376 1.00 0.00 H new ATOM 0 HA VAL A 103 16.317 -2.380 6.359 1.00 0.00 H new ATOM 0 HB VAL A 103 13.761 -1.279 7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.949 -0.939 9.689 1.00 0.00 H new ATOM 0 HG12 VAL A 103 14.762 -2.667 9.308 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.332 -1.867 9.062 1.00 0.00 H new ATOM 0 HG21 VAL A 103 15.144 0.725 7.866 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.540 -0.132 7.172 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.111 0.202 6.166 1.00 0.00 H new ATOM 1627 N ALA A 104 13.833 -4.277 7.450 1.00 0.00 N ATOM 1628 CA ALA A 104 13.532 -5.543 8.112 1.00 0.00 C ATOM 1629 C ALA A 104 14.476 -6.653 7.649 1.00 0.00 C ATOM 1630 O ALA A 104 14.636 -7.669 8.325 1.00 0.00 O ATOM 1631 CB ALA A 104 12.086 -5.935 7.858 1.00 0.00 C ATOM 0 H ALA A 104 13.014 -3.776 7.106 1.00 0.00 H new ATOM 0 HA ALA A 104 13.680 -5.407 9.183 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.872 -6.881 8.356 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.425 -5.161 8.249 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.922 -6.045 6.786 1.00 0.00 H new ATOM 1637 N HIS A 105 15.097 -6.446 6.493 1.00 0.00 N ATOM 1638 CA HIS A 105 16.021 -7.411 5.932 1.00 0.00 C ATOM 1639 C HIS A 105 16.667 -6.853 4.663 1.00 0.00 C ATOM 1640 O HIS A 105 15.990 -6.252 3.831 1.00 0.00 O ATOM 1641 CB HIS A 105 15.299 -8.722 5.619 1.00 0.00 C ATOM 1642 CG HIS A 105 13.888 -8.544 5.139 1.00 0.00 C ATOM 1643 ND1 HIS A 105 13.159 -7.423 4.907 1.00 0.00 N flip ATOM 1644 CD2 HIS A 105 13.061 -9.605 4.832 1.00 0.00 C flip ATOM 1645 CE1 HIS A 105 11.923 -7.826 4.468 1.00 0.00 C flip ATOM 1646 NE2 HIS A 105 11.889 -9.146 4.431 1.00 0.00 N flip ATOM 0 H HIS A 105 14.972 -5.608 5.925 1.00 0.00 H new ATOM 0 HA HIS A 105 16.802 -7.608 6.667 1.00 0.00 H new ATOM 0 HB2 HIS A 105 15.864 -9.264 4.860 1.00 0.00 H new ATOM 0 HB3 HIS A 105 15.291 -9.343 6.515 1.00 0.00 H new ATOM 0 HD2 HIS A 105 13.330 -10.648 4.908 1.00 0.00 H new ATOM 0 HE1 HIS A 105 11.109 -7.170 4.197 1.00 0.00 H new ATOM 0 HE2 HIS A 105 11.093 -9.714 4.142 1.00 0.00 H new ATOM 1655 N PRO A 106 17.993 -7.031 4.508 1.00 0.00 N ATOM 1656 CA PRO A 106 18.748 -6.540 3.353 1.00 0.00 C ATOM 1657 C PRO A 106 18.003 -6.682 2.025 1.00 0.00 C ATOM 1658 O PRO A 106 16.952 -7.318 1.942 1.00 0.00 O ATOM 1659 CB PRO A 106 20.022 -7.404 3.356 1.00 0.00 C ATOM 1660 CG PRO A 106 19.923 -8.299 4.556 1.00 0.00 C ATOM 1661 CD PRO A 106 18.876 -7.707 5.456 1.00 0.00 C ATOM 0 HA PRO A 106 18.937 -5.470 3.437 1.00 0.00 H new ATOM 0 HB2 PRO A 106 20.096 -7.990 2.440 1.00 0.00 H new ATOM 0 HB3 PRO A 106 20.914 -6.780 3.409 1.00 0.00 H new ATOM 0 HG2 PRO A 106 19.650 -9.312 4.261 1.00 0.00 H new ATOM 0 HG3 PRO A 106 20.882 -8.364 5.070 1.00 0.00 H new ATOM 0 HD2 PRO A 106 18.350 -8.473 6.026 1.00 0.00 H new ATOM 0 HD3 PRO A 106 19.306 -7.012 6.177 1.00 0.00 H new ATOM 1669 N LYS A 107 18.559 -6.054 0.993 1.00 0.00 N ATOM 1670 CA LYS A 107 17.969 -6.057 -0.342 1.00 0.00 C ATOM 1671 C LYS A 107 17.715 -7.462 -0.888 1.00 0.00 C ATOM 1672 O LYS A 107 16.575 -7.828 -1.175 1.00 0.00 O ATOM 1673 CB LYS A 107 18.874 -5.292 -1.309 1.00 0.00 C ATOM 1674 CG LYS A 107 18.208 -4.964 -2.637 1.00 0.00 C ATOM 1675 CD LYS A 107 18.725 -5.857 -3.754 1.00 0.00 C ATOM 1676 CE LYS A 107 17.684 -6.038 -4.847 1.00 0.00 C ATOM 1677 NZ LYS A 107 18.198 -6.869 -5.971 1.00 0.00 N ATOM 0 H LYS A 107 19.431 -5.529 1.059 1.00 0.00 H new ATOM 0 HA LYS A 107 16.998 -5.569 -0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 107 19.196 -4.365 -0.835 1.00 0.00 H new ATOM 0 HB3 LYS A 107 19.771 -5.882 -1.498 1.00 0.00 H new ATOM 0 HG2 LYS A 107 17.129 -5.084 -2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 107 18.392 -3.920 -2.890 1.00 0.00 H new ATOM 0 HD2 LYS A 107 19.630 -5.423 -4.180 1.00 0.00 H new ATOM 0 HD3 LYS A 107 19.000 -6.830 -3.346 1.00 0.00 H new ATOM 0 HE2 LYS A 107 16.794 -6.506 -4.427 1.00 0.00 H new ATOM 0 HE3 LYS A 107 17.382 -5.062 -5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 17.458 -6.969 -6.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 19.032 -6.410 -6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 18.463 -7.810 -5.615 1.00 0.00 H new ATOM 1691 N GLU A 108 18.782 -8.227 -1.066 1.00 0.00 N ATOM 1692 CA GLU A 108 18.680 -9.574 -1.624 1.00 0.00 C ATOM 1693 C GLU A 108 17.870 -10.529 -0.747 1.00 0.00 C ATOM 1694 O GLU A 108 17.301 -11.497 -1.253 1.00 0.00 O ATOM 1695 CB GLU A 108 20.075 -10.152 -1.868 1.00 0.00 C ATOM 1696 CG GLU A 108 21.028 -9.955 -0.700 1.00 0.00 C ATOM 1697 CD GLU A 108 22.167 -10.955 -0.704 1.00 0.00 C ATOM 1698 OE1 GLU A 108 22.010 -12.030 -1.319 1.00 0.00 O ATOM 1699 OE2 GLU A 108 23.216 -10.663 -0.092 1.00 0.00 O ATOM 0 H GLU A 108 19.732 -7.940 -0.832 1.00 0.00 H new ATOM 0 HA GLU A 108 18.144 -9.478 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 108 19.986 -11.218 -2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 108 20.502 -9.687 -2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 108 21.436 -8.945 -0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 108 20.475 -10.043 0.235 1.00 0.00 H new ATOM 1706 N GLU A 109 17.827 -10.281 0.558 1.00 0.00 N ATOM 1707 CA GLU A 109 17.088 -11.158 1.466 1.00 0.00 C ATOM 1708 C GLU A 109 15.688 -11.456 0.937 1.00 0.00 C ATOM 1709 O GLU A 109 15.156 -12.547 1.145 1.00 0.00 O ATOM 1710 CB GLU A 109 16.993 -10.540 2.860 1.00 0.00 C ATOM 1711 CG GLU A 109 16.112 -11.340 3.806 1.00 0.00 C ATOM 1712 CD GLU A 109 16.742 -11.531 5.172 1.00 0.00 C ATOM 1713 OE1 GLU A 109 17.576 -10.689 5.565 1.00 0.00 O ATOM 1714 OE2 GLU A 109 16.401 -12.525 5.849 1.00 0.00 O ATOM 0 H GLU A 109 18.288 -9.491 1.009 1.00 0.00 H new ATOM 0 HA GLU A 109 17.639 -12.097 1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.994 -10.460 3.285 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.600 -9.527 2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.154 -10.833 3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 109 15.906 -12.316 3.366 1.00 0.00 H new ATOM 1721 N TRP A 110 15.100 -10.485 0.251 1.00 0.00 N ATOM 1722 CA TRP A 110 13.768 -10.649 -0.308 1.00 0.00 C ATOM 1723 C TRP A 110 13.818 -10.638 -1.822 1.00 0.00 C ATOM 1724 O TRP A 110 13.272 -11.526 -2.466 1.00 0.00 O ATOM 1725 CB TRP A 110 12.822 -9.546 0.173 1.00 0.00 C ATOM 1726 CG TRP A 110 13.497 -8.280 0.617 1.00 0.00 C ATOM 1727 CD1 TRP A 110 13.825 -7.944 1.894 1.00 0.00 C ATOM 1728 CD2 TRP A 110 13.905 -7.177 -0.205 1.00 0.00 C ATOM 1729 NE1 TRP A 110 14.391 -6.694 1.923 1.00 0.00 N ATOM 1730 CE2 TRP A 110 14.456 -6.206 0.650 1.00 0.00 C ATOM 1731 CE3 TRP A 110 13.859 -6.911 -1.576 1.00 0.00 C ATOM 1732 CZ2 TRP A 110 14.948 -4.993 0.181 1.00 0.00 C ATOM 1733 CZ3 TRP A 110 14.353 -5.708 -2.041 1.00 0.00 C ATOM 1734 CH2 TRP A 110 14.890 -4.761 -1.165 1.00 0.00 C ATOM 0 H TRP A 110 15.526 -9.576 0.069 1.00 0.00 H new ATOM 0 HA TRP A 110 13.389 -11.611 0.036 1.00 0.00 H new ATOM 0 HB2 TRP A 110 12.128 -9.307 -0.633 1.00 0.00 H new ATOM 0 HB3 TRP A 110 12.228 -9.933 1.001 1.00 0.00 H new ATOM 0 HD1 TRP A 110 13.663 -8.570 2.759 1.00 0.00 H new ATOM 0 HE1 TRP A 110 14.711 -6.208 2.761 1.00 0.00 H new ATOM 0 HE3 TRP A 110 13.444 -7.635 -2.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 15.362 -4.259 0.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 14.324 -5.496 -3.100 1.00 0.00 H new ATOM 0 HH2 TRP A 110 15.266 -3.828 -1.559 1.00 0.00 H new ATOM 1745 N ALA A 111 14.469 -9.612 -2.377 1.00 0.00 N ATOM 1746 CA ALA A 111 14.584 -9.446 -3.829 1.00 0.00 C ATOM 1747 C ALA A 111 13.228 -9.651 -4.496 1.00 0.00 C ATOM 1748 O ALA A 111 12.631 -8.718 -5.026 1.00 0.00 O ATOM 1749 CB ALA A 111 15.618 -10.406 -4.399 1.00 0.00 C ATOM 0 H ALA A 111 14.928 -8.878 -1.838 1.00 0.00 H new ATOM 0 HA ALA A 111 14.918 -8.429 -4.036 1.00 0.00 H new ATOM 0 HB1 ALA A 111 15.688 -10.267 -5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 111 16.588 -10.208 -3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 111 15.319 -11.432 -4.184 1.00 0.00 H new ATOM 1755 N ASP A 112 12.742 -10.877 -4.428 1.00 0.00 N ATOM 1756 CA ASP A 112 11.443 -11.230 -4.970 1.00 0.00 C ATOM 1757 C ASP A 112 10.895 -12.418 -4.210 1.00 0.00 C ATOM 1758 O ASP A 112 10.699 -13.503 -4.757 1.00 0.00 O ATOM 1759 CB ASP A 112 11.523 -11.558 -6.454 1.00 0.00 C ATOM 1760 CG ASP A 112 12.146 -10.440 -7.267 1.00 0.00 C ATOM 1761 OD1 ASP A 112 11.423 -9.480 -7.608 1.00 0.00 O ATOM 1762 OD2 ASP A 112 13.357 -10.524 -7.563 1.00 0.00 O ATOM 0 H ASP A 112 13.237 -11.656 -3.995 1.00 0.00 H new ATOM 0 HA ASP A 112 10.780 -10.372 -4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 112 12.106 -12.469 -6.590 1.00 0.00 H new ATOM 0 HB3 ASP A 112 10.521 -11.762 -6.832 1.00 0.00 H new ATOM 1767 N VAL A 113 10.668 -12.186 -2.932 1.00 0.00 N ATOM 1768 CA VAL A 113 10.156 -13.189 -2.019 1.00 0.00 C ATOM 1769 C VAL A 113 9.149 -14.135 -2.663 1.00 0.00 C ATOM 1770 O VAL A 113 9.077 -15.310 -2.306 1.00 0.00 O ATOM 1771 CB VAL A 113 9.518 -12.505 -0.807 1.00 0.00 C ATOM 1772 CG1 VAL A 113 9.088 -13.540 0.204 1.00 0.00 C ATOM 1773 CG2 VAL A 113 10.489 -11.526 -0.186 1.00 0.00 C ATOM 0 H VAL A 113 10.837 -11.281 -2.492 1.00 0.00 H new ATOM 0 HA VAL A 113 11.007 -13.798 -1.713 1.00 0.00 H new ATOM 0 HB VAL A 113 8.637 -11.953 -1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 113 8.635 -13.044 1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 113 8.361 -14.213 -0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 113 9.956 -14.112 0.532 1.00 0.00 H new ATOM 0 HG21 VAL A 113 10.022 -11.047 0.675 1.00 0.00 H new ATOM 0 HG22 VAL A 113 11.385 -12.057 0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 113 10.761 -10.768 -0.920 1.00 0.00 H new ATOM 1783 N THR A 114 8.382 -13.623 -3.609 1.00 0.00 N ATOM 1784 CA THR A 114 7.377 -14.413 -4.305 1.00 0.00 C ATOM 1785 C THR A 114 6.620 -15.349 -3.359 1.00 0.00 C ATOM 1786 O THR A 114 6.131 -16.398 -3.781 1.00 0.00 O ATOM 1787 CB THR A 114 8.029 -15.229 -5.421 1.00 0.00 C ATOM 1788 OG1 THR A 114 9.223 -15.840 -4.964 1.00 0.00 O ATOM 1789 CG2 THR A 114 8.371 -14.406 -6.641 1.00 0.00 C ATOM 0 H THR A 114 8.436 -12.652 -3.917 1.00 0.00 H new ATOM 0 HA THR A 114 6.655 -13.715 -4.729 1.00 0.00 H new ATOM 0 HB THR A 114 7.288 -15.976 -5.704 1.00 0.00 H new ATOM 0 HG1 THR A 114 9.944 -15.176 -4.945 1.00 0.00 H new ATOM 0 HG21 THR A 114 8.830 -15.046 -7.394 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.462 -13.962 -7.047 1.00 0.00 H new ATOM 0 HG23 THR A 114 9.068 -13.615 -6.363 1.00 0.00 H new ATOM 1797 N GLU A 115 6.525 -14.979 -2.082 1.00 0.00 N ATOM 1798 CA GLU A 115 5.828 -15.808 -1.111 1.00 0.00 C ATOM 1799 C GLU A 115 5.674 -15.103 0.237 1.00 0.00 C ATOM 1800 O GLU A 115 5.844 -15.719 1.290 1.00 0.00 O ATOM 1801 CB GLU A 115 6.579 -17.126 -0.933 1.00 0.00 C ATOM 1802 CG GLU A 115 7.881 -16.993 -0.160 1.00 0.00 C ATOM 1803 CD GLU A 115 8.840 -18.136 -0.433 1.00 0.00 C ATOM 1804 OE1 GLU A 115 9.433 -18.162 -1.532 1.00 0.00 O ATOM 1805 OE2 GLU A 115 8.998 -19.003 0.451 1.00 0.00 O ATOM 0 H GLU A 115 6.919 -14.118 -1.703 1.00 0.00 H new ATOM 0 HA GLU A 115 4.825 -16.002 -1.492 1.00 0.00 H new ATOM 0 HB2 GLU A 115 5.932 -17.835 -0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 115 6.792 -17.547 -1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.361 -16.050 -0.423 1.00 0.00 H new ATOM 0 HG3 GLU A 115 7.663 -16.953 0.907 1.00 0.00 H new ATOM 1812 N THR A 116 5.344 -13.817 0.202 1.00 0.00 N ATOM 1813 CA THR A 116 5.159 -13.047 1.429 1.00 0.00 C ATOM 1814 C THR A 116 3.739 -12.502 1.521 1.00 0.00 C ATOM 1815 O THR A 116 3.002 -12.480 0.535 1.00 0.00 O ATOM 1816 CB THR A 116 6.166 -11.900 1.513 1.00 0.00 C ATOM 1817 OG1 THR A 116 6.978 -11.851 0.353 1.00 0.00 O ATOM 1818 CG2 THR A 116 7.079 -12.003 2.714 1.00 0.00 C ATOM 0 H THR A 116 5.199 -13.287 -0.657 1.00 0.00 H new ATOM 0 HA THR A 116 5.329 -13.720 2.269 1.00 0.00 H new ATOM 0 HB THR A 116 5.567 -10.994 1.605 1.00 0.00 H new ATOM 0 HG1 THR A 116 7.664 -11.160 0.463 1.00 0.00 H new ATOM 0 HG21 THR A 116 7.771 -11.161 2.718 1.00 0.00 H new ATOM 0 HG22 THR A 116 6.483 -11.988 3.626 1.00 0.00 H new ATOM 0 HG23 THR A 116 7.642 -12.935 2.664 1.00 0.00 H new ATOM 1826 N ASN A 117 3.365 -12.063 2.716 1.00 0.00 N ATOM 1827 CA ASN A 117 2.035 -11.516 2.953 1.00 0.00 C ATOM 1828 C ASN A 117 1.938 -10.941 4.367 1.00 0.00 C ATOM 1829 O ASN A 117 2.950 -10.576 4.964 1.00 0.00 O ATOM 1830 CB ASN A 117 0.975 -12.601 2.743 1.00 0.00 C ATOM 1831 CG ASN A 117 -0.242 -12.086 1.999 1.00 0.00 C ATOM 1832 OD1 ASN A 117 -1.333 -11.992 2.562 1.00 0.00 O ATOM 1833 ND2 ASN A 117 -0.059 -11.751 0.727 1.00 0.00 N ATOM 0 H ASN A 117 3.967 -12.075 3.539 1.00 0.00 H new ATOM 0 HA ASN A 117 1.856 -10.710 2.242 1.00 0.00 H new ATOM 0 HB2 ASN A 117 1.413 -13.430 2.187 1.00 0.00 H new ATOM 0 HB3 ASN A 117 0.666 -12.995 3.711 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -0.841 -11.399 0.175 1.00 0.00 H new ATOM 0 HD22 ASN A 117 0.864 -11.846 0.302 1.00 0.00 H new ATOM 1840 N ASP A 118 0.721 -10.863 4.898 1.00 0.00 N ATOM 1841 CA ASP A 118 0.507 -10.334 6.240 1.00 0.00 C ATOM 1842 C ASP A 118 1.290 -11.130 7.284 1.00 0.00 C ATOM 1843 O ASP A 118 1.492 -10.664 8.406 1.00 0.00 O ATOM 1844 CB ASP A 118 -0.983 -10.352 6.584 1.00 0.00 C ATOM 1845 CG ASP A 118 -1.729 -9.178 5.980 1.00 0.00 C ATOM 1846 OD1 ASP A 118 -1.921 -9.168 4.746 1.00 0.00 O ATOM 1847 OD2 ASP A 118 -2.122 -8.269 6.742 1.00 0.00 O ATOM 0 H ASP A 118 -0.130 -11.159 4.420 1.00 0.00 H new ATOM 0 HA ASP A 118 0.869 -9.306 6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -1.425 -11.282 6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.103 -10.337 7.667 1.00 0.00 H new ATOM 1852 N ALA A 119 1.726 -12.334 6.915 1.00 0.00 N ATOM 1853 CA ALA A 119 2.481 -13.186 7.827 1.00 0.00 C ATOM 1854 C ALA A 119 3.723 -12.474 8.353 1.00 0.00 C ATOM 1855 O ALA A 119 3.931 -12.382 9.563 1.00 0.00 O ATOM 1856 CB ALA A 119 2.872 -14.483 7.133 1.00 0.00 C ATOM 0 H ALA A 119 1.569 -12.739 5.992 1.00 0.00 H new ATOM 0 HA ALA A 119 1.841 -13.416 8.679 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.435 -15.110 7.824 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.973 -15.011 6.814 1.00 0.00 H new ATOM 0 HB3 ALA A 119 3.488 -14.258 6.263 1.00 0.00 H new ATOM 1862 N LEU A 120 4.546 -11.972 7.437 1.00 0.00 N ATOM 1863 CA LEU A 120 5.769 -11.268 7.812 1.00 0.00 C ATOM 1864 C LEU A 120 5.463 -10.080 8.718 1.00 0.00 C ATOM 1865 O LEU A 120 6.290 -9.682 9.538 1.00 0.00 O ATOM 1866 CB LEU A 120 6.513 -10.795 6.560 1.00 0.00 C ATOM 1867 CG LEU A 120 8.029 -10.993 6.597 1.00 0.00 C ATOM 1868 CD1 LEU A 120 8.387 -12.432 6.259 1.00 0.00 C ATOM 1869 CD2 LEU A 120 8.713 -10.032 5.639 1.00 0.00 C ATOM 0 H LEU A 120 4.389 -12.039 6.431 1.00 0.00 H new ATOM 0 HA LEU A 120 6.403 -11.963 8.363 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.113 -11.325 5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.303 -9.736 6.409 1.00 0.00 H new ATOM 0 HG LEU A 120 8.381 -10.781 7.607 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.470 -12.555 6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 120 7.925 -13.102 6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 120 8.023 -12.672 5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 120 9.791 -10.186 5.677 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.356 -10.214 4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 120 8.482 -9.006 5.926 1.00 0.00 H new ATOM 1881 N LYS A 121 4.268 -9.516 8.565 1.00 0.00 N ATOM 1882 CA LYS A 121 3.849 -8.373 9.370 1.00 0.00 C ATOM 1883 C LYS A 121 4.684 -7.137 9.043 1.00 0.00 C ATOM 1884 O LYS A 121 5.702 -7.226 8.358 1.00 0.00 O ATOM 1885 CB LYS A 121 3.956 -8.701 10.862 1.00 0.00 C ATOM 1886 CG LYS A 121 2.641 -8.551 11.611 1.00 0.00 C ATOM 1887 CD LYS A 121 2.408 -9.709 12.568 1.00 0.00 C ATOM 1888 CE LYS A 121 3.159 -9.511 13.875 1.00 0.00 C ATOM 1889 NZ LYS A 121 2.397 -10.039 15.040 1.00 0.00 N ATOM 0 H LYS A 121 3.572 -9.833 7.890 1.00 0.00 H new ATOM 0 HA LYS A 121 2.808 -8.157 9.130 1.00 0.00 H new ATOM 0 HB2 LYS A 121 4.316 -9.724 10.976 1.00 0.00 H new ATOM 0 HB3 LYS A 121 4.701 -8.048 11.317 1.00 0.00 H new ATOM 0 HG2 LYS A 121 2.643 -7.613 12.167 1.00 0.00 H new ATOM 0 HG3 LYS A 121 1.819 -8.497 10.897 1.00 0.00 H new ATOM 0 HD2 LYS A 121 1.341 -9.806 12.771 1.00 0.00 H new ATOM 0 HD3 LYS A 121 2.729 -10.640 12.100 1.00 0.00 H new ATOM 0 HE2 LYS A 121 4.126 -10.011 13.817 1.00 0.00 H new ATOM 0 HE3 LYS A 121 3.357 -8.449 14.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.944 -9.884 15.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 1.485 -9.545 15.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 2.230 -11.057 14.913 1.00 0.00 H new ATOM 1903 N MET A 122 4.239 -5.987 9.540 1.00 0.00 N ATOM 1904 CA MET A 122 4.935 -4.726 9.306 1.00 0.00 C ATOM 1905 C MET A 122 4.236 -3.588 10.049 1.00 0.00 C ATOM 1906 O MET A 122 3.579 -2.746 9.440 1.00 0.00 O ATOM 1907 CB MET A 122 4.992 -4.427 7.803 1.00 0.00 C ATOM 1908 CG MET A 122 5.862 -3.231 7.440 1.00 0.00 C ATOM 1909 SD MET A 122 6.814 -3.497 5.929 1.00 0.00 S ATOM 1910 CE MET A 122 6.909 -1.833 5.264 1.00 0.00 C ATOM 0 H MET A 122 3.397 -5.902 10.109 1.00 0.00 H new ATOM 0 HA MET A 122 5.954 -4.812 9.685 1.00 0.00 H new ATOM 0 HB2 MET A 122 5.368 -5.308 7.282 1.00 0.00 H new ATOM 0 HB3 MET A 122 3.980 -4.250 7.440 1.00 0.00 H new ATOM 0 HG2 MET A 122 5.230 -2.351 7.317 1.00 0.00 H new ATOM 0 HG3 MET A 122 6.545 -3.020 8.263 1.00 0.00 H new ATOM 0 HE1 MET A 122 6.353 -1.783 4.328 1.00 0.00 H new ATOM 0 HE2 MET A 122 6.481 -1.130 5.979 1.00 0.00 H new ATOM 0 HE3 MET A 122 7.952 -1.573 5.081 1.00 0.00 H new ATOM 1920 N LYS A 123 4.383 -3.577 11.377 1.00 0.00 N ATOM 1921 CA LYS A 123 3.766 -2.554 12.227 1.00 0.00 C ATOM 1922 C LYS A 123 3.825 -1.165 11.588 1.00 0.00 C ATOM 1923 O LYS A 123 2.969 -0.318 11.838 1.00 0.00 O ATOM 1924 CB LYS A 123 4.455 -2.521 13.593 1.00 0.00 C ATOM 1925 CG LYS A 123 4.077 -3.688 14.493 1.00 0.00 C ATOM 1926 CD LYS A 123 3.854 -3.239 15.931 1.00 0.00 C ATOM 1927 CE LYS A 123 2.491 -3.674 16.448 1.00 0.00 C ATOM 1928 NZ LYS A 123 2.575 -4.250 17.818 1.00 0.00 N ATOM 0 H LYS A 123 4.928 -4.270 11.890 1.00 0.00 H new ATOM 0 HA LYS A 123 2.716 -2.821 12.348 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.535 -2.521 13.446 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.202 -1.588 14.096 1.00 0.00 H new ATOM 0 HG2 LYS A 123 3.171 -4.161 14.115 1.00 0.00 H new ATOM 0 HG3 LYS A 123 4.865 -4.440 14.464 1.00 0.00 H new ATOM 0 HD2 LYS A 123 4.635 -3.654 16.568 1.00 0.00 H new ATOM 0 HD3 LYS A 123 3.937 -2.154 15.991 1.00 0.00 H new ATOM 0 HE2 LYS A 123 1.815 -2.819 16.455 1.00 0.00 H new ATOM 0 HE3 LYS A 123 2.064 -4.412 15.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 1.626 -4.534 18.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 3.200 -5.082 17.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 2.959 -3.537 18.471 1.00 0.00 H new ATOM 1942 N GLN A 124 4.843 -0.942 10.768 1.00 0.00 N ATOM 1943 CA GLN A 124 5.023 0.336 10.095 1.00 0.00 C ATOM 1944 C GLN A 124 3.895 0.619 9.105 1.00 0.00 C ATOM 1945 O GLN A 124 3.021 1.447 9.361 1.00 0.00 O ATOM 1946 CB GLN A 124 6.360 0.342 9.358 1.00 0.00 C ATOM 1947 CG GLN A 124 7.438 1.154 10.056 1.00 0.00 C ATOM 1948 CD GLN A 124 7.821 2.402 9.286 1.00 0.00 C ATOM 1949 OE1 GLN A 124 8.091 2.347 8.086 1.00 0.00 O ATOM 1950 NE2 GLN A 124 7.845 3.538 9.973 1.00 0.00 N ATOM 0 H GLN A 124 5.560 -1.634 10.552 1.00 0.00 H new ATOM 0 HA GLN A 124 5.008 1.118 10.854 1.00 0.00 H new ATOM 0 HB2 GLN A 124 6.707 -0.685 9.245 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.210 0.740 8.354 1.00 0.00 H new ATOM 0 HG2 GLN A 124 7.088 1.438 11.049 1.00 0.00 H new ATOM 0 HG3 GLN A 124 8.322 0.532 10.195 1.00 0.00 H new ATOM 0 HE21 GLN A 124 7.614 3.538 10.967 1.00 0.00 H new ATOM 0 HE22 GLN A 124 8.094 4.411 9.507 1.00 0.00 H new ATOM 1959 N LEU A 125 3.943 -0.058 7.963 1.00 0.00 N ATOM 1960 CA LEU A 125 2.955 0.125 6.905 1.00 0.00 C ATOM 1961 C LEU A 125 1.522 0.072 7.430 1.00 0.00 C ATOM 1962 O LEU A 125 0.638 0.734 6.884 1.00 0.00 O ATOM 1963 CB LEU A 125 3.177 -0.913 5.790 1.00 0.00 C ATOM 1964 CG LEU A 125 2.122 -2.022 5.655 1.00 0.00 C ATOM 1965 CD1 LEU A 125 2.438 -2.905 4.459 1.00 0.00 C ATOM 1966 CD2 LEU A 125 2.049 -2.859 6.921 1.00 0.00 C ATOM 0 H LEU A 125 4.664 -0.746 7.745 1.00 0.00 H new ATOM 0 HA LEU A 125 3.095 1.124 6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.236 -0.383 4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.146 -1.384 5.953 1.00 0.00 H new ATOM 0 HG LEU A 125 1.151 -1.551 5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 125 1.683 -3.687 4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 125 2.439 -2.302 3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 125 3.419 -3.361 4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.295 -3.637 6.800 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.019 -3.320 7.109 1.00 0.00 H new ATOM 0 HD23 LEU A 125 1.781 -2.222 7.764 1.00 0.00 H new ATOM 1978 N ASP A 126 1.284 -0.711 8.478 1.00 0.00 N ATOM 1979 CA ASP A 126 -0.068 -0.818 9.025 1.00 0.00 C ATOM 1980 C ASP A 126 -0.405 0.377 9.908 1.00 0.00 C ATOM 1981 O ASP A 126 -1.407 1.059 9.689 1.00 0.00 O ATOM 1982 CB ASP A 126 -0.264 -2.130 9.795 1.00 0.00 C ATOM 1983 CG ASP A 126 0.831 -2.405 10.806 1.00 0.00 C ATOM 1984 OD1 ASP A 126 0.927 -1.655 11.799 1.00 0.00 O ATOM 1985 OD2 ASP A 126 1.581 -3.384 10.611 1.00 0.00 O ATOM 0 H ASP A 126 1.990 -1.270 8.958 1.00 0.00 H new ATOM 0 HA ASP A 126 -0.756 -0.821 8.179 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -1.224 -2.100 10.310 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -0.308 -2.956 9.085 1.00 0.00 H new ATOM 1990 N THR A 127 0.437 0.634 10.898 1.00 0.00 N ATOM 1991 CA THR A 127 0.224 1.754 11.804 1.00 0.00 C ATOM 1992 C THR A 127 0.258 3.074 11.041 1.00 0.00 C ATOM 1993 O THR A 127 -0.367 4.056 11.444 1.00 0.00 O ATOM 1994 CB THR A 127 1.288 1.759 12.903 1.00 0.00 C ATOM 1995 OG1 THR A 127 1.302 0.522 13.592 1.00 0.00 O ATOM 1996 CG2 THR A 127 1.082 2.853 13.929 1.00 0.00 C ATOM 0 H THR A 127 1.273 0.084 11.095 1.00 0.00 H new ATOM 0 HA THR A 127 -0.758 1.641 12.263 1.00 0.00 H new ATOM 0 HB THR A 127 2.233 1.936 12.390 1.00 0.00 H new ATOM 0 HG1 THR A 127 1.615 -0.185 12.989 1.00 0.00 H new ATOM 0 HG21 THR A 127 1.870 2.801 14.680 1.00 0.00 H new ATOM 0 HG22 THR A 127 1.114 3.825 13.436 1.00 0.00 H new ATOM 0 HG23 THR A 127 0.113 2.722 14.411 1.00 0.00 H new ATOM 2004 N TYR A 128 0.999 3.089 9.938 1.00 0.00 N ATOM 2005 CA TYR A 128 1.126 4.285 9.122 1.00 0.00 C ATOM 2006 C TYR A 128 -0.154 4.559 8.340 1.00 0.00 C ATOM 2007 O TYR A 128 -0.678 5.671 8.371 1.00 0.00 O ATOM 2008 CB TYR A 128 2.313 4.147 8.166 1.00 0.00 C ATOM 2009 CG TYR A 128 3.609 4.689 8.730 1.00 0.00 C ATOM 2010 CD1 TYR A 128 3.934 4.510 10.070 1.00 0.00 C ATOM 2011 CD2 TYR A 128 4.506 5.381 7.925 1.00 0.00 C ATOM 2012 CE1 TYR A 128 5.116 5.006 10.589 1.00 0.00 C ATOM 2013 CE2 TYR A 128 5.689 5.879 8.438 1.00 0.00 C ATOM 2014 CZ TYR A 128 5.988 5.688 9.770 1.00 0.00 C ATOM 2015 OH TYR A 128 7.165 6.183 10.284 1.00 0.00 O ATOM 0 H TYR A 128 1.520 2.284 9.591 1.00 0.00 H new ATOM 0 HA TYR A 128 1.300 5.131 9.787 1.00 0.00 H new ATOM 0 HB2 TYR A 128 2.447 3.095 7.915 1.00 0.00 H new ATOM 0 HB3 TYR A 128 2.084 4.669 7.237 1.00 0.00 H new ATOM 0 HD1 TYR A 128 3.253 3.975 10.715 1.00 0.00 H new ATOM 0 HD2 TYR A 128 4.275 5.532 6.881 1.00 0.00 H new ATOM 0 HE1 TYR A 128 5.354 4.859 11.632 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.375 6.415 7.799 1.00 0.00 H new ATOM 0 HH TYR A 128 7.667 6.637 9.575 1.00 0.00 H new ATOM 2025 N ILE A 129 -0.658 3.545 7.641 1.00 0.00 N ATOM 2026 CA ILE A 129 -1.872 3.698 6.861 1.00 0.00 C ATOM 2027 C ILE A 129 -3.077 3.994 7.749 1.00 0.00 C ATOM 2028 O ILE A 129 -4.058 4.584 7.299 1.00 0.00 O ATOM 2029 CB ILE A 129 -2.160 2.442 6.027 1.00 0.00 C ATOM 2030 CG1 ILE A 129 -3.378 2.695 5.131 1.00 0.00 C ATOM 2031 CG2 ILE A 129 -2.374 1.237 6.933 1.00 0.00 C ATOM 2032 CD1 ILE A 129 -4.627 2.017 5.616 1.00 0.00 C ATOM 0 H ILE A 129 -0.243 2.614 7.602 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.709 4.544 6.193 1.00 0.00 H new ATOM 0 HB ILE A 129 -1.302 2.222 5.391 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -3.557 3.768 5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.155 2.350 4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -2.577 0.356 6.324 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -1.478 1.067 7.530 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.220 1.424 7.594 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -5.449 2.239 4.935 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -4.466 0.940 5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -4.874 2.380 6.614 1.00 0.00 H new ATOM 2044 N SER A 130 -3.002 3.578 9.007 1.00 0.00 N ATOM 2045 CA SER A 130 -4.094 3.802 9.943 1.00 0.00 C ATOM 2046 C SER A 130 -4.097 5.246 10.434 1.00 0.00 C ATOM 2047 O SER A 130 -5.151 5.871 10.552 1.00 0.00 O ATOM 2048 CB SER A 130 -3.977 2.835 11.123 1.00 0.00 C ATOM 2049 OG SER A 130 -4.690 3.311 12.252 1.00 0.00 O ATOM 0 H SER A 130 -2.200 3.086 9.400 1.00 0.00 H new ATOM 0 HA SER A 130 -5.037 3.618 9.428 1.00 0.00 H new ATOM 0 HB2 SER A 130 -4.361 1.857 10.834 1.00 0.00 H new ATOM 0 HB3 SER A 130 -2.927 2.701 11.383 1.00 0.00 H new ATOM 0 HG SER A 130 -4.734 2.607 12.932 1.00 0.00 H new ATOM 2055 N LYS A 131 -2.911 5.764 10.720 1.00 0.00 N ATOM 2056 CA LYS A 131 -2.766 7.135 11.201 1.00 0.00 C ATOM 2057 C LYS A 131 -2.750 8.131 10.041 1.00 0.00 C ATOM 2058 O LYS A 131 -3.116 9.295 10.204 1.00 0.00 O ATOM 2059 CB LYS A 131 -1.479 7.266 12.018 1.00 0.00 C ATOM 2060 CG LYS A 131 -1.573 6.684 13.424 1.00 0.00 C ATOM 2061 CD LYS A 131 -2.398 5.405 13.462 1.00 0.00 C ATOM 2062 CE LYS A 131 -2.226 4.668 14.780 1.00 0.00 C ATOM 2063 NZ LYS A 131 -2.168 3.193 14.588 1.00 0.00 N ATOM 0 H LYS A 131 -2.031 5.256 10.628 1.00 0.00 H new ATOM 0 HA LYS A 131 -3.624 7.365 11.833 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -0.670 6.768 11.484 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -1.213 8.320 12.090 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -0.570 6.479 13.798 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -2.018 7.422 14.092 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -3.451 5.646 13.314 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -2.101 4.755 12.639 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -1.312 5.007 15.269 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -3.054 4.915 15.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -1.619 2.764 15.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -3.133 2.804 14.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -1.711 2.979 13.678 1.00 0.00 H new ATOM 2077 N TYR A 132 -2.313 7.666 8.876 1.00 0.00 N ATOM 2078 CA TYR A 132 -2.233 8.509 7.685 1.00 0.00 C ATOM 2079 C TYR A 132 -3.615 8.901 7.157 1.00 0.00 C ATOM 2080 O TYR A 132 -3.726 9.770 6.297 1.00 0.00 O ATOM 2081 CB TYR A 132 -1.411 7.819 6.599 1.00 0.00 C ATOM 2082 CG TYR A 132 0.064 8.155 6.679 1.00 0.00 C ATOM 2083 CD1 TYR A 132 0.764 7.996 7.868 1.00 0.00 C ATOM 2084 CD2 TYR A 132 0.754 8.640 5.573 1.00 0.00 C ATOM 2085 CE1 TYR A 132 2.107 8.308 7.954 1.00 0.00 C ATOM 2086 CE2 TYR A 132 2.098 8.954 5.652 1.00 0.00 C ATOM 2087 CZ TYR A 132 2.770 8.787 6.844 1.00 0.00 C ATOM 2088 OH TYR A 132 4.108 9.099 6.926 1.00 0.00 O ATOM 0 H TYR A 132 -2.007 6.704 8.729 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.732 9.433 7.973 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -1.539 6.740 6.683 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -1.793 8.110 5.620 1.00 0.00 H new ATOM 0 HD1 TYR A 132 0.249 7.622 8.741 1.00 0.00 H new ATOM 0 HD2 TYR A 132 0.231 8.773 4.637 1.00 0.00 H new ATOM 0 HE1 TYR A 132 2.635 8.177 8.887 1.00 0.00 H new ATOM 0 HE2 TYR A 132 2.619 9.329 4.783 1.00 0.00 H new ATOM 0 HH TYR A 132 4.423 9.422 6.056 1.00 0.00 H new ATOM 2098 N GLN A 133 -4.661 8.253 7.672 1.00 0.00 N ATOM 2099 CA GLN A 133 -6.045 8.525 7.255 1.00 0.00 C ATOM 2100 C GLN A 133 -6.326 10.016 7.024 1.00 0.00 C ATOM 2101 O GLN A 133 -7.262 10.367 6.305 1.00 0.00 O ATOM 2102 CB GLN A 133 -7.018 7.982 8.305 1.00 0.00 C ATOM 2103 CG GLN A 133 -7.421 6.535 8.070 1.00 0.00 C ATOM 2104 CD GLN A 133 -8.831 6.402 7.529 1.00 0.00 C ATOM 2105 OE1 GLN A 133 -9.584 5.516 7.935 1.00 0.00 O ATOM 2106 NE2 GLN A 133 -9.198 7.286 6.608 1.00 0.00 N ATOM 0 H GLN A 133 -4.578 7.529 8.385 1.00 0.00 H new ATOM 0 HA GLN A 133 -6.188 8.021 6.299 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -6.561 8.068 9.291 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -7.914 8.603 8.314 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -6.723 6.077 7.370 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -7.342 5.983 9.007 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -8.542 8.004 6.300 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.136 7.247 6.209 1.00 0.00 H new ATOM 2115 N ASP A 134 -5.525 10.886 7.629 1.00 0.00 N ATOM 2116 CA ASP A 134 -5.709 12.325 7.477 1.00 0.00 C ATOM 2117 C ASP A 134 -4.869 12.859 6.318 1.00 0.00 C ATOM 2118 O ASP A 134 -3.998 12.162 5.800 1.00 0.00 O ATOM 2119 CB ASP A 134 -5.333 13.042 8.776 1.00 0.00 C ATOM 2120 CG ASP A 134 -6.550 13.521 9.544 1.00 0.00 C ATOM 2121 OD1 ASP A 134 -7.637 12.935 9.358 1.00 0.00 O ATOM 2122 OD2 ASP A 134 -6.415 14.480 10.331 1.00 0.00 O ATOM 0 H ASP A 134 -4.743 10.621 8.228 1.00 0.00 H new ATOM 0 HA ASP A 134 -6.759 12.517 7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -4.752 12.368 9.405 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -4.693 13.894 8.546 1.00 0.00 H new ATOM 2127 N PRO A 135 -5.116 14.112 5.895 1.00 0.00 N ATOM 2128 CA PRO A 135 -4.371 14.732 4.795 1.00 0.00 C ATOM 2129 C PRO A 135 -2.884 14.840 5.104 1.00 0.00 C ATOM 2130 O PRO A 135 -2.044 14.712 4.214 1.00 0.00 O ATOM 2131 CB PRO A 135 -4.994 16.124 4.668 1.00 0.00 C ATOM 2132 CG PRO A 135 -5.648 16.367 5.980 1.00 0.00 C ATOM 2133 CD PRO A 135 -6.127 15.025 6.451 1.00 0.00 C ATOM 0 HA PRO A 135 -4.436 14.145 3.879 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -4.236 16.879 4.458 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -5.716 16.161 3.853 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -4.947 16.804 6.691 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -6.478 17.066 5.880 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -6.170 14.969 7.539 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -7.126 14.798 6.080 1.00 0.00 H new ATOM 2141 N SER A 136 -2.569 15.069 6.375 1.00 0.00 N ATOM 2142 CA SER A 136 -1.187 15.190 6.817 1.00 0.00 C ATOM 2143 C SER A 136 -1.120 15.367 8.327 1.00 0.00 C ATOM 2144 O SER A 136 -0.893 16.472 8.821 1.00 0.00 O ATOM 2145 CB SER A 136 -0.495 16.373 6.137 1.00 0.00 C ATOM 2146 OG SER A 136 -0.143 16.069 4.799 1.00 0.00 O ATOM 0 H SER A 136 -3.258 15.175 7.120 1.00 0.00 H new ATOM 0 HA SER A 136 -0.671 14.271 6.539 1.00 0.00 H new ATOM 0 HB2 SER A 136 -1.155 17.240 6.153 1.00 0.00 H new ATOM 0 HB3 SER A 136 0.400 16.644 6.697 1.00 0.00 H new ATOM 0 HG SER A 136 -0.598 15.247 4.520 1.00 0.00 H new ATOM 2152 N GLN A 137 -1.301 14.272 9.059 1.00 0.00 N ATOM 2153 CA GLN A 137 -1.242 14.313 10.518 1.00 0.00 C ATOM 2154 C GLN A 137 -0.001 15.073 10.987 1.00 0.00 C ATOM 2155 O GLN A 137 0.037 15.590 12.104 1.00 0.00 O ATOM 2156 CB GLN A 137 -1.235 12.897 11.093 1.00 0.00 C ATOM 2157 CG GLN A 137 -2.625 12.326 11.315 1.00 0.00 C ATOM 2158 CD GLN A 137 -3.122 12.534 12.732 1.00 0.00 C ATOM 2159 OE1 GLN A 137 -2.907 11.696 13.608 1.00 0.00 O ATOM 2160 NE2 GLN A 137 -3.789 13.659 12.964 1.00 0.00 N ATOM 0 H GLN A 137 -1.489 13.349 8.669 1.00 0.00 H new ATOM 0 HA GLN A 137 -2.128 14.835 10.879 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -0.685 12.242 10.417 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -0.697 12.901 12.041 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -3.321 12.793 10.618 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -2.616 11.259 11.090 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -3.944 14.325 12.207 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -4.146 13.857 13.899 1.00 0.00 H new ATOM 2169 N ALA A 138 1.011 15.135 10.116 1.00 0.00 N ATOM 2170 CA ALA A 138 2.262 15.830 10.406 1.00 0.00 C ATOM 2171 C ALA A 138 3.240 14.916 11.135 1.00 0.00 C ATOM 2172 O ALA A 138 3.398 15.003 12.353 1.00 0.00 O ATOM 2173 CB ALA A 138 2.014 17.099 11.213 1.00 0.00 C ATOM 0 H ALA A 138 0.983 14.704 9.192 1.00 0.00 H new ATOM 0 HA ALA A 138 2.707 16.116 9.453 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.964 17.594 11.413 1.00 0.00 H new ATOM 0 HB2 ALA A 138 1.367 17.770 10.647 1.00 0.00 H new ATOM 0 HB3 ALA A 138 1.533 16.842 12.157 1.00 0.00 H new ATOM 2179 N ASP A 139 3.892 14.036 10.382 1.00 0.00 N ATOM 2180 CA ASP A 139 4.855 13.100 10.953 1.00 0.00 C ATOM 2181 C ASP A 139 4.178 12.164 11.951 1.00 0.00 C ATOM 2182 O ASP A 139 4.719 11.883 13.021 1.00 0.00 O ATOM 2183 CB ASP A 139 5.994 13.858 11.638 1.00 0.00 C ATOM 2184 CG ASP A 139 7.260 13.031 11.736 1.00 0.00 C ATOM 2185 OD1 ASP A 139 8.010 12.972 10.739 1.00 0.00 O ATOM 2186 OD2 ASP A 139 7.504 12.444 12.812 1.00 0.00 O ATOM 0 H ASP A 139 3.771 13.951 9.373 1.00 0.00 H new ATOM 0 HA ASP A 139 5.266 12.501 10.140 1.00 0.00 H new ATOM 0 HB2 ASP A 139 6.203 14.773 11.084 1.00 0.00 H new ATOM 0 HB3 ASP A 139 5.679 14.156 12.638 1.00 0.00 H new ATOM 2191 N ALA A 140 2.992 11.683 11.592 1.00 0.00 N ATOM 2192 CA ALA A 140 2.242 10.778 12.454 1.00 0.00 C ATOM 2193 C ALA A 140 1.853 9.506 11.710 1.00 0.00 C ATOM 2194 O ALA A 140 1.716 8.454 12.369 1.00 0.00 O ATOM 2195 CB ALA A 140 1.003 11.474 12.998 1.00 0.00 C ATOM 2196 OXT ALA A 140 1.687 9.572 10.474 1.00 0.00 O ATOM 0 H ALA A 140 2.530 11.905 10.710 1.00 0.00 H new ATOM 0 HA ALA A 140 2.884 10.496 13.289 1.00 0.00 H new ATOM 0 HB1 ALA A 140 0.452 10.787 13.640 1.00 0.00 H new ATOM 0 HB2 ALA A 140 1.301 12.350 13.575 1.00 0.00 H new ATOM 0 HB3 ALA A 140 0.367 11.785 12.169 1.00 0.00 H new TER 2202 ALA A 140