USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 819 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 88 CYS SG : rot 180:sc= 0.199 USER MOD Set 1.2: A 95 SER OG : rot -156:sc= 0.0676 USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= -0.616 USER MOD Set 2.2: A 90 ASN : amide:sc= -6.06! C(o=-6.7!,f=-15!) USER MOD Set 3.1: A 31 TYR OH : rot 120:sc= -1.07 USER MOD Set 3.2: A 36 ASN :FLIP amide:sc= -2.39 F(o=-6.9!,f=-3.5) USER MOD Set 4.1: A 17 THR OG1 : rot 150:sc= 0 USER MOD Set 4.2: A 101 MET CE :methyl -114:sc= -0.0714 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 29:sc= 0.106 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 41:sc= 0.0022 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.25 K(o=-1.2,f=-4.3!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 175:sc= -8.89! (180deg=-9.13!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -100:sc= 0 (180deg=-1.85) USER MOD Single : A 35 SER OG : rot -56:sc= 1.11 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.0747 X(o=-0.075,f=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.635 X(o=-0.63,f=-0.93) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 165:sc= -0.196 USER MOD Single : A 48 TYR OH : rot 2:sc= 0.882 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -29:sc= -2.07 USER MOD Single : A 55 ASN : amide:sc= -0.0534 X(o=-0.053,f=-0.053) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 55:sc= 1.22 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 130:sc= -2.19 USER MOD Single : A 71 HIS :FLIP no HD1:sc= -0.364 F(o=-1.7,f=-0.36) USER MOD Single : A 72 SER OG : rot -3:sc= 0.817! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.615 K(o=-0.62,f=-3.1!) USER MOD Single : A 80 THR OG1 : rot 58:sc= -0.0361 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -171:sc= -4.29! USER MOD Single : A 85 LYS NZ :NH3+ -133:sc= 0.522 (180deg=0) USER MOD Single : A 86 MET CE :methyl -116:sc= -2.08 (180deg=-6.03!) USER MOD Single : A 87 GLN : amide:sc= -6.58! C(o=-6.6!,f=-16!) USER MOD Single : A 98 SER OG : rot -53:sc= 0.666! USER MOD Single : A 99 ASN :FLIP amide:sc= 1.32 F(o=-1.5,f=1.3) USER MOD Single : A 103 CYS SG : rot 180:sc= -0.329 USER MOD Single : A 105 THR OG1 : rot -163:sc= 2.07 USER MOD Single : A 106 LYS NZ :NH3+ 135:sc= 0.0301 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.049 11.333 -20.608 1.00 0.00 N ATOM 2 CA GLY A 1 24.609 11.500 -19.279 1.00 0.00 C ATOM 3 C GLY A 1 24.363 12.886 -18.716 1.00 0.00 C ATOM 4 O GLY A 1 25.206 13.774 -18.845 1.00 0.00 O ATOM 0 H1 GLY A 1 24.244 10.370 -20.948 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.021 11.487 -20.573 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.481 12.023 -21.256 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.176 10.757 -18.609 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.682 11.310 -19.314 1.00 0.00 H new ATOM 8 N SER A 2 23.205 13.072 -18.092 1.00 0.00 N ATOM 9 CA SER A 2 22.848 14.362 -17.512 1.00 0.00 C ATOM 10 C SER A 2 22.252 14.185 -16.119 1.00 0.00 C ATOM 11 O SER A 2 21.296 13.432 -15.932 1.00 0.00 O ATOM 12 CB SER A 2 21.854 15.094 -18.415 1.00 0.00 C ATOM 13 OG SER A 2 20.736 14.275 -18.711 1.00 0.00 O ATOM 0 H SER A 2 22.498 12.346 -17.975 1.00 0.00 H new ATOM 0 HA SER A 2 23.757 14.958 -17.427 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.519 16.009 -17.926 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.348 15.389 -19.341 1.00 0.00 H new ATOM 0 HG SER A 2 20.582 13.652 -17.970 1.00 0.00 H new ATOM 19 N SER A 3 22.824 14.884 -15.144 1.00 0.00 N ATOM 20 CA SER A 3 22.352 14.802 -13.766 1.00 0.00 C ATOM 21 C SER A 3 20.831 14.899 -13.706 1.00 0.00 C ATOM 22 O SER A 3 20.223 15.722 -14.389 1.00 0.00 O ATOM 23 CB SER A 3 22.979 15.914 -12.923 1.00 0.00 C ATOM 24 OG SER A 3 22.652 17.192 -13.440 1.00 0.00 O ATOM 0 H SER A 3 23.615 15.513 -15.282 1.00 0.00 H new ATOM 0 HA SER A 3 22.653 13.836 -13.362 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.630 15.835 -11.893 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.062 15.793 -12.903 1.00 0.00 H new ATOM 0 HG SER A 3 23.063 17.885 -12.883 1.00 0.00 H new ATOM 30 N GLY A 4 20.222 14.051 -12.883 1.00 0.00 N ATOM 31 CA GLY A 4 18.777 14.057 -12.748 1.00 0.00 C ATOM 32 C GLY A 4 18.330 13.959 -11.303 1.00 0.00 C ATOM 33 O GLY A 4 18.174 14.974 -10.624 1.00 0.00 O ATOM 0 H GLY A 4 20.703 13.360 -12.307 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.378 14.971 -13.188 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.359 13.223 -13.312 1.00 0.00 H new ATOM 37 N SER A 5 18.121 12.734 -10.831 1.00 0.00 N ATOM 38 CA SER A 5 17.683 12.508 -9.458 1.00 0.00 C ATOM 39 C SER A 5 16.587 13.496 -9.068 1.00 0.00 C ATOM 40 O SER A 5 16.503 13.923 -7.917 1.00 0.00 O ATOM 41 CB SER A 5 18.865 12.634 -8.496 1.00 0.00 C ATOM 42 OG SER A 5 19.909 11.744 -8.851 1.00 0.00 O ATOM 0 H SER A 5 18.248 11.883 -11.379 1.00 0.00 H new ATOM 0 HA SER A 5 17.278 11.498 -9.393 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.237 13.658 -8.505 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.534 12.424 -7.479 1.00 0.00 H new ATOM 0 HG SER A 5 20.653 11.845 -8.222 1.00 0.00 H new ATOM 48 N SER A 6 15.750 13.854 -10.036 1.00 0.00 N ATOM 49 CA SER A 6 14.661 14.794 -9.796 1.00 0.00 C ATOM 50 C SER A 6 13.420 14.069 -9.285 1.00 0.00 C ATOM 51 O SER A 6 12.538 13.701 -10.060 1.00 0.00 O ATOM 52 CB SER A 6 14.327 15.557 -11.079 1.00 0.00 C ATOM 53 OG SER A 6 15.304 16.546 -11.353 1.00 0.00 O ATOM 0 H SER A 6 15.805 13.508 -10.994 1.00 0.00 H new ATOM 0 HA SER A 6 14.986 15.502 -9.034 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.266 14.860 -11.915 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.348 16.026 -10.983 1.00 0.00 H new ATOM 0 HG SER A 6 16.196 16.185 -11.168 1.00 0.00 H new ATOM 59 N GLY A 7 13.360 13.866 -7.972 1.00 0.00 N ATOM 60 CA GLY A 7 12.224 13.186 -7.378 1.00 0.00 C ATOM 61 C GLY A 7 12.639 12.158 -6.344 1.00 0.00 C ATOM 62 O GLY A 7 13.796 11.740 -6.283 1.00 0.00 O ATOM 0 H GLY A 7 14.078 14.160 -7.310 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.568 13.921 -6.912 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.647 12.696 -8.162 1.00 0.00 H new ATOM 66 N PRO A 8 11.681 11.736 -5.506 1.00 0.00 N ATOM 67 CA PRO A 8 11.931 10.746 -4.453 1.00 0.00 C ATOM 68 C PRO A 8 12.188 9.353 -5.017 1.00 0.00 C ATOM 69 O PRO A 8 11.411 8.846 -5.826 1.00 0.00 O ATOM 70 CB PRO A 8 10.635 10.762 -3.638 1.00 0.00 C ATOM 71 CG PRO A 8 9.592 11.229 -4.593 1.00 0.00 C ATOM 72 CD PRO A 8 10.281 12.191 -5.521 1.00 0.00 C ATOM 0 HA PRO A 8 12.821 10.985 -3.870 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.400 9.771 -3.249 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.715 11.431 -2.781 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.166 10.392 -5.145 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.771 11.715 -4.067 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.857 12.154 -6.525 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.189 13.220 -5.174 1.00 0.00 H new ATOM 80 N VAL A 9 13.285 8.738 -4.585 1.00 0.00 N ATOM 81 CA VAL A 9 13.644 7.402 -5.046 1.00 0.00 C ATOM 82 C VAL A 9 13.559 6.388 -3.910 1.00 0.00 C ATOM 83 O VAL A 9 13.029 5.291 -4.083 1.00 0.00 O ATOM 84 CB VAL A 9 15.066 7.376 -5.638 1.00 0.00 C ATOM 85 CG1 VAL A 9 15.155 8.286 -6.853 1.00 0.00 C ATOM 86 CG2 VAL A 9 16.088 7.777 -4.585 1.00 0.00 C ATOM 0 H VAL A 9 13.940 9.144 -3.917 1.00 0.00 H new ATOM 0 HA VAL A 9 12.930 7.132 -5.824 1.00 0.00 H new ATOM 0 HB VAL A 9 15.289 6.359 -5.959 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.167 8.255 -7.258 1.00 0.00 H new ATOM 0 HG12 VAL A 9 14.450 7.949 -7.613 1.00 0.00 H new ATOM 0 HG13 VAL A 9 14.912 9.308 -6.561 1.00 0.00 H new ATOM 0 HG21 VAL A 9 17.087 7.753 -5.020 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.870 8.785 -4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 9 16.040 7.081 -3.748 1.00 0.00 H new ATOM 96 N ALA A 10 14.085 6.763 -2.749 1.00 0.00 N ATOM 97 CA ALA A 10 14.067 5.887 -1.584 1.00 0.00 C ATOM 98 C ALA A 10 12.730 5.164 -1.462 1.00 0.00 C ATOM 99 O ALA A 10 12.684 3.962 -1.206 1.00 0.00 O ATOM 100 CB ALA A 10 14.355 6.684 -0.320 1.00 0.00 C ATOM 0 H ALA A 10 14.529 7.667 -2.590 1.00 0.00 H new ATOM 0 HA ALA A 10 14.846 5.136 -1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.338 6.017 0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.337 7.150 -0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.596 7.456 -0.196 1.00 0.00 H new ATOM 106 N GLY A 11 11.641 5.906 -1.646 1.00 0.00 N ATOM 107 CA GLY A 11 10.318 5.318 -1.551 1.00 0.00 C ATOM 108 C GLY A 11 9.984 4.865 -0.143 1.00 0.00 C ATOM 109 O GLY A 11 10.858 4.471 0.629 1.00 0.00 O ATOM 0 H GLY A 11 11.652 6.903 -1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.576 6.045 -1.881 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.253 4.466 -2.228 1.00 0.00 H new ATOM 113 N PRO A 12 8.691 4.920 0.209 1.00 0.00 N ATOM 114 CA PRO A 12 8.214 4.517 1.536 1.00 0.00 C ATOM 115 C PRO A 12 8.311 3.011 1.753 1.00 0.00 C ATOM 116 O PRO A 12 8.431 2.243 0.799 1.00 0.00 O ATOM 117 CB PRO A 12 6.751 4.966 1.538 1.00 0.00 C ATOM 118 CG PRO A 12 6.359 4.987 0.100 1.00 0.00 C ATOM 119 CD PRO A 12 7.595 5.380 -0.660 1.00 0.00 C ATOM 0 HA PRO A 12 8.810 4.958 2.335 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.127 4.278 2.109 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.640 5.950 1.993 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.998 4.010 -0.220 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.551 5.698 -0.074 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.632 4.904 -1.640 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.639 6.456 -0.827 1.00 0.00 H new ATOM 127 N TYR A 13 8.256 2.596 3.014 1.00 0.00 N ATOM 128 CA TYR A 13 8.339 1.181 3.356 1.00 0.00 C ATOM 129 C TYR A 13 7.277 0.807 4.386 1.00 0.00 C ATOM 130 O TYR A 13 7.108 1.490 5.396 1.00 0.00 O ATOM 131 CB TYR A 13 9.730 0.846 3.897 1.00 0.00 C ATOM 132 CG TYR A 13 9.748 -0.345 4.828 1.00 0.00 C ATOM 133 CD1 TYR A 13 9.307 -1.592 4.400 1.00 0.00 C ATOM 134 CD2 TYR A 13 10.204 -0.225 6.134 1.00 0.00 C ATOM 135 CE1 TYR A 13 9.320 -2.683 5.246 1.00 0.00 C ATOM 136 CE2 TYR A 13 10.223 -1.312 6.987 1.00 0.00 C ATOM 137 CZ TYR A 13 9.780 -2.538 6.539 1.00 0.00 C ATOM 138 OH TYR A 13 9.795 -3.623 7.386 1.00 0.00 O ATOM 0 H TYR A 13 8.154 3.219 3.815 1.00 0.00 H new ATOM 0 HA TYR A 13 8.160 0.603 2.449 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.399 0.651 3.059 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.124 1.715 4.424 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.948 -1.709 3.388 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.550 0.734 6.489 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.972 -3.644 4.898 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.583 -1.202 7.999 1.00 0.00 H new ATOM 0 HH TYR A 13 10.149 -3.352 8.259 1.00 0.00 H new ATOM 148 N ILE A 14 6.565 -0.284 4.122 1.00 0.00 N ATOM 149 CA ILE A 14 5.521 -0.751 5.025 1.00 0.00 C ATOM 150 C ILE A 14 6.120 -1.383 6.277 1.00 0.00 C ATOM 151 O ILE A 14 6.951 -2.288 6.193 1.00 0.00 O ATOM 152 CB ILE A 14 4.598 -1.774 4.338 1.00 0.00 C ATOM 153 CG1 ILE A 14 4.128 -1.241 2.983 1.00 0.00 C ATOM 154 CG2 ILE A 14 3.408 -2.096 5.228 1.00 0.00 C ATOM 155 CD1 ILE A 14 3.848 -2.328 1.969 1.00 0.00 C ATOM 0 H ILE A 14 6.692 -0.860 3.290 1.00 0.00 H new ATOM 0 HA ILE A 14 4.934 0.123 5.307 1.00 0.00 H new ATOM 0 HB ILE A 14 5.160 -2.693 4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.224 -0.650 3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.887 -0.569 2.583 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.765 -2.821 4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.761 -2.514 6.171 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.843 -1.185 5.424 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.519 -1.876 1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.756 -2.905 1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.067 -2.987 2.348 1.00 0.00 H new ATOM 167 N THR A 15 5.691 -0.902 7.440 1.00 0.00 N ATOM 168 CA THR A 15 6.183 -1.420 8.710 1.00 0.00 C ATOM 169 C THR A 15 5.041 -1.958 9.564 1.00 0.00 C ATOM 170 O THR A 15 5.242 -2.341 10.717 1.00 0.00 O ATOM 171 CB THR A 15 6.938 -0.337 9.504 1.00 0.00 C ATOM 172 OG1 THR A 15 6.005 0.550 10.131 1.00 0.00 O ATOM 173 CG2 THR A 15 7.865 0.454 8.593 1.00 0.00 C ATOM 0 H THR A 15 5.003 -0.154 7.528 1.00 0.00 H new ATOM 0 HA THR A 15 6.870 -2.233 8.475 1.00 0.00 H new ATOM 0 HB THR A 15 7.539 -0.830 10.268 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.493 1.235 10.635 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.387 1.213 9.176 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.592 -0.220 8.140 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.281 0.937 7.810 1.00 0.00 H new ATOM 181 N PHE A 16 3.842 -1.984 8.992 1.00 0.00 N ATOM 182 CA PHE A 16 2.667 -2.475 9.703 1.00 0.00 C ATOM 183 C PHE A 16 1.605 -2.967 8.723 1.00 0.00 C ATOM 184 O PHE A 16 1.154 -2.222 7.852 1.00 0.00 O ATOM 185 CB PHE A 16 2.085 -1.373 10.592 1.00 0.00 C ATOM 186 CG PHE A 16 1.198 -1.893 11.687 1.00 0.00 C ATOM 187 CD1 PHE A 16 -0.106 -2.275 11.417 1.00 0.00 C ATOM 188 CD2 PHE A 16 1.669 -1.999 12.986 1.00 0.00 C ATOM 189 CE1 PHE A 16 -0.925 -2.753 12.423 1.00 0.00 C ATOM 190 CE2 PHE A 16 0.855 -2.477 13.996 1.00 0.00 C ATOM 191 CZ PHE A 16 -0.443 -2.855 13.714 1.00 0.00 C ATOM 0 H PHE A 16 3.658 -1.671 8.039 1.00 0.00 H new ATOM 0 HA PHE A 16 2.975 -3.312 10.329 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.903 -0.806 11.036 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.516 -0.680 9.972 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.487 -2.199 10.409 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.683 -1.705 13.212 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.940 -3.046 12.200 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.234 -2.555 15.004 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.080 -3.230 14.501 1.00 0.00 H new ATOM 201 N THR A 17 1.211 -4.228 8.872 1.00 0.00 N ATOM 202 CA THR A 17 0.204 -4.821 8.000 1.00 0.00 C ATOM 203 C THR A 17 -0.751 -5.709 8.789 1.00 0.00 C ATOM 204 O THR A 17 -0.370 -6.780 9.262 1.00 0.00 O ATOM 205 CB THR A 17 0.853 -5.654 6.878 1.00 0.00 C ATOM 206 OG1 THR A 17 2.061 -6.259 7.353 1.00 0.00 O ATOM 207 CG2 THR A 17 1.158 -4.785 5.667 1.00 0.00 C ATOM 0 H THR A 17 1.574 -4.858 9.588 1.00 0.00 H new ATOM 0 HA THR A 17 -0.354 -3.997 7.555 1.00 0.00 H new ATOM 0 HB THR A 17 0.150 -6.432 6.580 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.210 -7.106 6.883 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.616 -5.394 4.888 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.233 -4.349 5.290 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.844 -3.988 5.954 1.00 0.00 H new ATOM 215 N ASP A 18 -1.993 -5.259 8.926 1.00 0.00 N ATOM 216 CA ASP A 18 -3.004 -6.014 9.657 1.00 0.00 C ATOM 217 C ASP A 18 -4.349 -5.958 8.938 1.00 0.00 C ATOM 218 O ASP A 18 -4.646 -4.996 8.231 1.00 0.00 O ATOM 219 CB ASP A 18 -3.149 -5.471 11.079 1.00 0.00 C ATOM 220 CG ASP A 18 -2.214 -6.154 12.057 1.00 0.00 C ATOM 221 OD1 ASP A 18 -2.498 -7.308 12.444 1.00 0.00 O ATOM 222 OD2 ASP A 18 -1.197 -5.537 12.436 1.00 0.00 O ATOM 0 H ASP A 18 -2.324 -4.375 8.540 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.681 -7.054 9.705 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.949 -4.399 11.078 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.178 -5.603 11.412 1.00 0.00 H new ATOM 227 N ALA A 19 -5.157 -6.997 9.124 1.00 0.00 N ATOM 228 CA ALA A 19 -6.470 -7.065 8.494 1.00 0.00 C ATOM 229 C ALA A 19 -7.553 -6.527 9.424 1.00 0.00 C ATOM 230 O ALA A 19 -7.853 -7.126 10.456 1.00 0.00 O ATOM 231 CB ALA A 19 -6.786 -8.496 8.086 1.00 0.00 C ATOM 0 H ALA A 19 -4.926 -7.802 9.705 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.450 -6.440 7.601 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.769 -8.532 7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.034 -8.847 7.380 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.782 -9.135 8.969 1.00 0.00 H new ATOM 237 N VAL A 20 -8.136 -5.392 9.050 1.00 0.00 N ATOM 238 CA VAL A 20 -9.186 -4.773 9.850 1.00 0.00 C ATOM 239 C VAL A 20 -10.485 -5.565 9.759 1.00 0.00 C ATOM 240 O VAL A 20 -11.287 -5.570 10.692 1.00 0.00 O ATOM 241 CB VAL A 20 -9.449 -3.322 9.405 1.00 0.00 C ATOM 242 CG1 VAL A 20 -10.389 -2.627 10.378 1.00 0.00 C ATOM 243 CG2 VAL A 20 -8.140 -2.558 9.278 1.00 0.00 C ATOM 0 H VAL A 20 -7.899 -4.883 8.198 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.837 -4.770 10.883 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.928 -3.342 8.426 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.563 -1.603 10.047 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.337 -3.163 10.413 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.941 -2.616 11.372 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.345 -1.535 8.963 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.631 -2.546 10.242 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.505 -3.045 8.538 1.00 0.00 H new ATOM 253 N ASN A 21 -10.686 -6.233 8.628 1.00 0.00 N ATOM 254 CA ASN A 21 -11.889 -7.029 8.414 1.00 0.00 C ATOM 255 C ASN A 21 -11.671 -8.060 7.311 1.00 0.00 C ATOM 256 O ASN A 21 -10.586 -8.147 6.736 1.00 0.00 O ATOM 257 CB ASN A 21 -13.069 -6.123 8.055 1.00 0.00 C ATOM 258 CG ASN A 21 -13.820 -5.639 9.280 1.00 0.00 C ATOM 259 OD1 ASN A 21 -13.703 -6.215 10.362 1.00 0.00 O ATOM 260 ND2 ASN A 21 -14.597 -4.575 9.115 1.00 0.00 N ATOM 0 H ASN A 21 -10.032 -6.239 7.846 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.114 -7.557 9.341 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.705 -5.263 7.492 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.754 -6.665 7.403 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.127 -4.203 9.903 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.664 -4.129 8.200 1.00 0.00 H new ATOM 267 N GLU A 22 -12.709 -8.838 7.021 1.00 0.00 N ATOM 268 CA GLU A 22 -12.629 -9.862 5.986 1.00 0.00 C ATOM 269 C GLU A 22 -12.599 -9.232 4.597 1.00 0.00 C ATOM 270 O GLU A 22 -12.305 -9.899 3.605 1.00 0.00 O ATOM 271 CB GLU A 22 -13.815 -10.823 6.096 1.00 0.00 C ATOM 272 CG GLU A 22 -15.166 -10.138 5.978 1.00 0.00 C ATOM 273 CD GLU A 22 -15.699 -9.663 7.316 1.00 0.00 C ATOM 274 OE1 GLU A 22 -16.233 -10.500 8.074 1.00 0.00 O ATOM 275 OE2 GLU A 22 -15.581 -8.454 7.606 1.00 0.00 O ATOM 0 H GLU A 22 -13.614 -8.779 7.488 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.704 -10.419 6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.732 -11.580 5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.763 -11.343 7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.080 -9.287 5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.881 -10.828 5.531 1.00 0.00 H new ATOM 282 N THR A 23 -12.906 -7.940 4.533 1.00 0.00 N ATOM 283 CA THR A 23 -12.916 -7.218 3.267 1.00 0.00 C ATOM 284 C THR A 23 -12.178 -5.889 3.386 1.00 0.00 C ATOM 285 O THR A 23 -12.205 -5.068 2.469 1.00 0.00 O ATOM 286 CB THR A 23 -14.354 -6.952 2.783 1.00 0.00 C ATOM 287 OG1 THR A 23 -15.128 -6.375 3.841 1.00 0.00 O ATOM 288 CG2 THR A 23 -15.013 -8.240 2.311 1.00 0.00 C ATOM 0 H THR A 23 -13.151 -7.372 5.344 1.00 0.00 H new ATOM 0 HA THR A 23 -12.407 -7.850 2.539 1.00 0.00 H new ATOM 0 HB THR A 23 -14.309 -6.257 1.945 1.00 0.00 H new ATOM 0 HG1 THR A 23 -16.040 -6.207 3.525 1.00 0.00 H new ATOM 0 HG21 THR A 23 -16.028 -8.027 1.974 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.438 -8.662 1.487 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.046 -8.954 3.134 1.00 0.00 H new ATOM 296 N THR A 24 -11.518 -5.683 4.521 1.00 0.00 N ATOM 297 CA THR A 24 -10.773 -4.454 4.759 1.00 0.00 C ATOM 298 C THR A 24 -9.416 -4.747 5.391 1.00 0.00 C ATOM 299 O THR A 24 -9.282 -5.671 6.193 1.00 0.00 O ATOM 300 CB THR A 24 -11.555 -3.491 5.673 1.00 0.00 C ATOM 301 OG1 THR A 24 -12.934 -3.463 5.289 1.00 0.00 O ATOM 302 CG2 THR A 24 -10.974 -2.087 5.602 1.00 0.00 C ATOM 0 H THR A 24 -11.484 -6.352 5.290 1.00 0.00 H new ATOM 0 HA THR A 24 -10.624 -3.982 3.788 1.00 0.00 H new ATOM 0 HB THR A 24 -11.472 -3.850 6.699 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.425 -2.850 5.876 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.542 -1.425 6.255 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.933 -2.108 5.923 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.030 -1.721 4.577 1.00 0.00 H new ATOM 310 N ILE A 25 -8.415 -3.954 5.025 1.00 0.00 N ATOM 311 CA ILE A 25 -7.070 -4.128 5.558 1.00 0.00 C ATOM 312 C ILE A 25 -6.434 -2.784 5.896 1.00 0.00 C ATOM 313 O ILE A 25 -6.624 -1.799 5.183 1.00 0.00 O ATOM 314 CB ILE A 25 -6.163 -4.876 4.563 1.00 0.00 C ATOM 315 CG1 ILE A 25 -6.518 -6.364 4.535 1.00 0.00 C ATOM 316 CG2 ILE A 25 -4.699 -4.682 4.932 1.00 0.00 C ATOM 317 CD1 ILE A 25 -5.637 -7.178 3.614 1.00 0.00 C ATOM 0 H ILE A 25 -8.510 -3.185 4.362 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.166 -4.721 6.468 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.324 -4.464 3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.443 -6.766 5.545 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.557 -6.476 4.224 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.070 -5.216 4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.455 -3.620 4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.522 -5.070 5.935 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.946 -8.223 3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.730 -6.802 2.595 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.599 -7.097 3.937 1.00 0.00 H new ATOM 329 N MET A 26 -5.678 -2.751 6.988 1.00 0.00 N ATOM 330 CA MET A 26 -5.011 -1.528 7.420 1.00 0.00 C ATOM 331 C MET A 26 -3.496 -1.665 7.305 1.00 0.00 C ATOM 332 O MET A 26 -2.891 -2.527 7.943 1.00 0.00 O ATOM 333 CB MET A 26 -5.397 -1.192 8.862 1.00 0.00 C ATOM 334 CG MET A 26 -4.581 -0.058 9.461 1.00 0.00 C ATOM 335 SD MET A 26 -5.381 1.547 9.274 1.00 0.00 S ATOM 336 CE MET A 26 -4.952 1.944 7.581 1.00 0.00 C ATOM 0 H MET A 26 -5.512 -3.557 7.590 1.00 0.00 H new ATOM 0 HA MET A 26 -5.335 -0.718 6.767 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.453 -0.925 8.894 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.275 -2.082 9.479 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.414 -0.255 10.520 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.601 -0.029 8.984 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.449 2.868 7.287 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.872 2.071 7.499 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.273 1.135 6.925 1.00 0.00 H new ATOM 346 N LEU A 27 -2.890 -0.810 6.489 1.00 0.00 N ATOM 347 CA LEU A 27 -1.445 -0.836 6.290 1.00 0.00 C ATOM 348 C LEU A 27 -0.839 0.545 6.518 1.00 0.00 C ATOM 349 O LEU A 27 -1.366 1.552 6.044 1.00 0.00 O ATOM 350 CB LEU A 27 -1.112 -1.326 4.880 1.00 0.00 C ATOM 351 CG LEU A 27 -1.135 -0.265 3.779 1.00 0.00 C ATOM 352 CD1 LEU A 27 -0.306 -0.716 2.586 1.00 0.00 C ATOM 353 CD2 LEU A 27 -2.566 0.033 3.354 1.00 0.00 C ATOM 0 H LEU A 27 -3.376 -0.090 5.954 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.016 -1.525 7.017 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.121 -1.780 4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.818 -2.113 4.614 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.697 0.651 4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.334 0.051 1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.725 -0.878 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.714 -1.646 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.562 0.790 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.031 -0.878 2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.131 0.400 4.211 1.00 0.00 H new ATOM 365 N LYS A 28 0.273 0.585 7.243 1.00 0.00 N ATOM 366 CA LYS A 28 0.955 1.842 7.531 1.00 0.00 C ATOM 367 C LYS A 28 2.380 1.825 6.989 1.00 0.00 C ATOM 368 O LYS A 28 3.102 0.840 7.147 1.00 0.00 O ATOM 369 CB LYS A 28 0.974 2.101 9.039 1.00 0.00 C ATOM 370 CG LYS A 28 -0.408 2.140 9.668 1.00 0.00 C ATOM 371 CD LYS A 28 -0.363 1.755 11.137 1.00 0.00 C ATOM 372 CE LYS A 28 -1.689 2.034 11.827 1.00 0.00 C ATOM 373 NZ LYS A 28 -1.570 1.958 13.310 1.00 0.00 N ATOM 0 H LYS A 28 0.722 -0.239 7.643 1.00 0.00 H new ATOM 0 HA LYS A 28 0.408 2.645 7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.563 1.323 9.525 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.478 3.049 9.230 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.827 3.141 9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.072 1.461 9.133 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.119 0.697 11.230 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.432 2.310 11.636 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.046 3.024 11.542 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.434 1.316 11.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.495 2.154 13.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.254 1.006 13.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.878 2.661 13.639 1.00 0.00 H new ATOM 387 N TRP A 29 2.779 2.920 6.352 1.00 0.00 N ATOM 388 CA TRP A 29 4.119 3.030 5.788 1.00 0.00 C ATOM 389 C TRP A 29 4.935 4.086 6.526 1.00 0.00 C ATOM 390 O TRP A 29 4.382 4.928 7.233 1.00 0.00 O ATOM 391 CB TRP A 29 4.042 3.375 4.300 1.00 0.00 C ATOM 392 CG TRP A 29 3.211 4.589 4.014 1.00 0.00 C ATOM 393 CD1 TRP A 29 3.634 5.888 4.001 1.00 0.00 C ATOM 394 CD2 TRP A 29 1.814 4.617 3.702 1.00 0.00 C ATOM 395 NE1 TRP A 29 2.584 6.721 3.700 1.00 0.00 N ATOM 396 CE2 TRP A 29 1.457 5.966 3.511 1.00 0.00 C ATOM 397 CE3 TRP A 29 0.830 3.634 3.564 1.00 0.00 C ATOM 398 CZ2 TRP A 29 0.158 6.354 3.191 1.00 0.00 C ATOM 399 CZ3 TRP A 29 -0.458 4.021 3.246 1.00 0.00 C ATOM 400 CH2 TRP A 29 -0.784 5.371 3.062 1.00 0.00 C ATOM 0 H TRP A 29 2.194 3.744 6.213 1.00 0.00 H new ATOM 0 HA TRP A 29 4.616 2.067 5.905 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.051 3.536 3.919 1.00 0.00 H new ATOM 0 HB3 TRP A 29 3.628 2.524 3.758 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.645 6.212 4.198 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.635 7.737 3.629 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.072 2.591 3.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.096 7.394 3.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.226 3.270 3.137 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.800 5.641 2.813 1.00 0.00 H new ATOM 411 N MET A 30 6.252 4.036 6.355 1.00 0.00 N ATOM 412 CA MET A 30 7.143 4.990 7.005 1.00 0.00 C ATOM 413 C MET A 30 8.009 5.712 5.977 1.00 0.00 C ATOM 414 O MET A 30 8.149 5.258 4.841 1.00 0.00 O ATOM 415 CB MET A 30 8.031 4.278 8.027 1.00 0.00 C ATOM 416 CG MET A 30 9.247 3.605 7.411 1.00 0.00 C ATOM 417 SD MET A 30 10.302 2.817 8.642 1.00 0.00 S ATOM 418 CE MET A 30 11.454 4.141 9.000 1.00 0.00 C ATOM 0 H MET A 30 6.725 3.346 5.772 1.00 0.00 H new ATOM 0 HA MET A 30 6.529 5.729 7.521 1.00 0.00 H new ATOM 0 HB2 MET A 30 8.364 5.000 8.772 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.438 3.529 8.552 1.00 0.00 H new ATOM 0 HG2 MET A 30 8.917 2.858 6.689 1.00 0.00 H new ATOM 0 HG3 MET A 30 9.828 4.345 6.861 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.382 3.973 8.454 1.00 0.00 H new ATOM 0 HE2 MET A 30 11.020 5.093 8.694 1.00 0.00 H new ATOM 0 HE3 MET A 30 11.661 4.164 10.070 1.00 0.00 H new ATOM 428 N TYR A 31 8.587 6.837 6.383 1.00 0.00 N ATOM 429 CA TYR A 31 9.436 7.623 5.496 1.00 0.00 C ATOM 430 C TYR A 31 10.791 7.899 6.142 1.00 0.00 C ATOM 431 O TYR A 31 10.869 8.249 7.320 1.00 0.00 O ATOM 432 CB TYR A 31 8.752 8.943 5.136 1.00 0.00 C ATOM 433 CG TYR A 31 9.403 9.667 3.980 1.00 0.00 C ATOM 434 CD1 TYR A 31 9.094 9.337 2.666 1.00 0.00 C ATOM 435 CD2 TYR A 31 10.327 10.681 4.200 1.00 0.00 C ATOM 436 CE1 TYR A 31 9.686 9.995 1.605 1.00 0.00 C ATOM 437 CE2 TYR A 31 10.924 11.345 3.146 1.00 0.00 C ATOM 438 CZ TYR A 31 10.600 10.999 1.851 1.00 0.00 C ATOM 439 OH TYR A 31 11.193 11.657 0.798 1.00 0.00 O ATOM 0 H TYR A 31 8.483 7.225 7.321 1.00 0.00 H new ATOM 0 HA TYR A 31 9.598 7.046 4.586 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.709 8.746 4.889 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.755 9.594 6.010 1.00 0.00 H new ATOM 0 HD1 TYR A 31 8.378 8.552 2.471 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.583 10.955 5.213 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.435 9.725 0.590 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.640 12.131 3.335 1.00 0.00 H new ATOM 0 HH TYR A 31 10.980 12.612 0.848 1.00 0.00 H new ATOM 449 N ILE A 32 11.855 7.738 5.362 1.00 0.00 N ATOM 450 CA ILE A 32 13.206 7.971 5.857 1.00 0.00 C ATOM 451 C ILE A 32 13.808 9.228 5.238 1.00 0.00 C ATOM 452 O ILE A 32 14.247 9.235 4.088 1.00 0.00 O ATOM 453 CB ILE A 32 14.128 6.774 5.560 1.00 0.00 C ATOM 454 CG1 ILE A 32 13.597 5.512 6.242 1.00 0.00 C ATOM 455 CG2 ILE A 32 15.548 7.073 6.018 1.00 0.00 C ATOM 456 CD1 ILE A 32 12.389 4.916 5.554 1.00 0.00 C ATOM 0 H ILE A 32 11.807 7.447 4.385 1.00 0.00 H new ATOM 0 HA ILE A 32 13.129 8.101 6.937 1.00 0.00 H new ATOM 0 HB ILE A 32 14.143 6.604 4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.391 4.766 6.276 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.338 5.748 7.274 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.188 6.218 5.801 1.00 0.00 H new ATOM 0 HG22 ILE A 32 15.923 7.950 5.490 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.551 7.266 7.091 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.067 4.024 6.092 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.579 5.646 5.544 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.649 4.648 4.530 1.00 0.00 H new ATOM 468 N PRO A 33 13.833 10.319 6.020 1.00 0.00 N ATOM 469 CA PRO A 33 14.382 11.602 5.571 1.00 0.00 C ATOM 470 C PRO A 33 15.898 11.560 5.413 1.00 0.00 C ATOM 471 O PRO A 33 16.492 12.447 4.801 1.00 0.00 O ATOM 472 CB PRO A 33 13.987 12.568 6.691 1.00 0.00 C ATOM 473 CG PRO A 33 13.837 11.707 7.898 1.00 0.00 C ATOM 474 CD PRO A 33 13.327 10.382 7.401 1.00 0.00 C ATOM 0 HA PRO A 33 14.002 11.887 4.590 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.749 13.332 6.842 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.058 13.087 6.457 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.790 11.590 8.414 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.141 12.151 8.610 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.702 9.555 8.004 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.239 10.333 7.433 1.00 0.00 H new ATOM 482 N ALA A 34 16.518 10.525 5.969 1.00 0.00 N ATOM 483 CA ALA A 34 17.965 10.367 5.888 1.00 0.00 C ATOM 484 C ALA A 34 18.434 10.347 4.437 1.00 0.00 C ATOM 485 O ALA A 34 19.088 11.281 3.973 1.00 0.00 O ATOM 486 CB ALA A 34 18.398 9.095 6.602 1.00 0.00 C ATOM 0 H ALA A 34 16.041 9.783 6.481 1.00 0.00 H new ATOM 0 HA ALA A 34 18.427 11.222 6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.481 8.990 6.533 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.104 9.148 7.650 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.920 8.234 6.134 1.00 0.00 H new ATOM 492 N SER A 35 18.097 9.277 3.725 1.00 0.00 N ATOM 493 CA SER A 35 18.488 9.133 2.328 1.00 0.00 C ATOM 494 C SER A 35 17.462 9.787 1.407 1.00 0.00 C ATOM 495 O SER A 35 17.090 9.226 0.377 1.00 0.00 O ATOM 496 CB SER A 35 18.643 7.654 1.969 1.00 0.00 C ATOM 497 OG SER A 35 18.958 7.493 0.597 1.00 0.00 O ATOM 0 H SER A 35 17.553 8.496 4.093 1.00 0.00 H new ATOM 0 HA SER A 35 19.446 9.635 2.191 1.00 0.00 H new ATOM 0 HB2 SER A 35 19.428 7.208 2.580 1.00 0.00 H new ATOM 0 HB3 SER A 35 17.720 7.122 2.198 1.00 0.00 H new ATOM 0 HG SER A 35 18.273 7.931 0.050 1.00 0.00 H new ATOM 503 N ASN A 36 17.008 10.977 1.787 1.00 0.00 N ATOM 504 CA ASN A 36 16.025 11.708 0.997 1.00 0.00 C ATOM 505 C ASN A 36 16.611 13.016 0.473 1.00 0.00 C ATOM 506 O ASN A 36 17.599 13.521 1.003 1.00 0.00 O ATOM 507 CB ASN A 36 14.777 11.995 1.835 1.00 0.00 C ATOM 508 CG ASN A 36 13.749 12.815 1.080 1.00 0.00 C ATOM 509 OD1 ASN A 36 13.510 12.453 -0.175 1.00 0.00 O flip ATOM 510 ND2 ASN A 36 13.177 13.762 1.619 1.00 0.00 N flip ATOM 0 H ASN A 36 17.305 11.455 2.637 1.00 0.00 H new ATOM 0 HA ASN A 36 15.748 11.088 0.145 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.328 11.052 2.147 1.00 0.00 H new ATOM 0 HB3 ASN A 36 15.066 12.526 2.742 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.392 14.004 2.586 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.488 14.304 1.099 1.00 0.00 H new ATOM 517 N ASN A 37 15.993 13.559 -0.571 1.00 0.00 N ATOM 518 CA ASN A 37 16.453 14.808 -1.166 1.00 0.00 C ATOM 519 C ASN A 37 15.691 15.998 -0.591 1.00 0.00 C ATOM 520 O ASN A 37 15.688 17.084 -1.169 1.00 0.00 O ATOM 521 CB ASN A 37 16.283 14.766 -2.686 1.00 0.00 C ATOM 522 CG ASN A 37 17.394 13.995 -3.372 1.00 0.00 C ATOM 523 OD1 ASN A 37 17.386 12.764 -3.399 1.00 0.00 O ATOM 524 ND2 ASN A 37 18.359 14.718 -3.929 1.00 0.00 N ATOM 0 H ASN A 37 15.173 13.154 -1.022 1.00 0.00 H new ATOM 0 HA ASN A 37 17.510 14.927 -0.928 1.00 0.00 H new ATOM 0 HB2 ASN A 37 15.324 14.309 -2.929 1.00 0.00 H new ATOM 0 HB3 ASN A 37 16.258 15.784 -3.074 1.00 0.00 H new ATOM 0 HD21 ASN A 37 19.134 14.255 -4.403 1.00 0.00 H new ATOM 0 HD22 ASN A 37 18.325 15.736 -3.882 1.00 0.00 H new ATOM 531 N ASN A 38 15.048 15.785 0.552 1.00 0.00 N ATOM 532 CA ASN A 38 14.283 16.840 1.207 1.00 0.00 C ATOM 533 C ASN A 38 13.259 17.443 0.250 1.00 0.00 C ATOM 534 O ASN A 38 13.026 18.652 0.252 1.00 0.00 O ATOM 535 CB ASN A 38 15.220 17.934 1.723 1.00 0.00 C ATOM 536 CG ASN A 38 14.649 18.667 2.922 1.00 0.00 C ATOM 537 OD1 ASN A 38 14.396 19.870 2.865 1.00 0.00 O ATOM 538 ND2 ASN A 38 14.443 17.942 4.015 1.00 0.00 N ATOM 0 H ASN A 38 15.041 14.892 1.044 1.00 0.00 H new ATOM 0 HA ASN A 38 13.752 16.399 2.050 1.00 0.00 H new ATOM 0 HB2 ASN A 38 16.178 17.490 1.994 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.415 18.648 0.923 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.060 18.380 4.853 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.668 16.947 4.017 1.00 0.00 H new ATOM 545 N THR A 39 12.648 16.591 -0.568 1.00 0.00 N ATOM 546 CA THR A 39 11.650 17.039 -1.531 1.00 0.00 C ATOM 547 C THR A 39 10.241 16.696 -1.061 1.00 0.00 C ATOM 548 O THR A 39 9.982 15.614 -0.533 1.00 0.00 O ATOM 549 CB THR A 39 11.884 16.409 -2.917 1.00 0.00 C ATOM 550 OG1 THR A 39 11.257 17.205 -3.929 1.00 0.00 O ATOM 551 CG2 THR A 39 11.334 14.991 -2.967 1.00 0.00 C ATOM 0 H THR A 39 12.827 15.587 -0.582 1.00 0.00 H new ATOM 0 HA THR A 39 11.751 18.121 -1.611 1.00 0.00 H new ATOM 0 HB THR A 39 12.958 16.372 -3.098 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.412 16.799 -4.807 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.511 14.567 -3.955 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.834 14.380 -2.215 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.263 15.009 -2.766 1.00 0.00 H new ATOM 559 N PRO A 40 9.305 17.637 -1.257 1.00 0.00 N ATOM 560 CA PRO A 40 7.905 17.456 -0.861 1.00 0.00 C ATOM 561 C PRO A 40 7.188 16.424 -1.724 1.00 0.00 C ATOM 562 O PRO A 40 7.309 16.433 -2.949 1.00 0.00 O ATOM 563 CB PRO A 40 7.296 18.845 -1.070 1.00 0.00 C ATOM 564 CG PRO A 40 8.154 19.483 -2.106 1.00 0.00 C ATOM 565 CD PRO A 40 9.542 18.950 -1.881 1.00 0.00 C ATOM 0 HA PRO A 40 7.814 17.085 0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.260 18.777 -1.401 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.298 19.421 -0.145 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.801 19.241 -3.108 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.134 20.569 -2.015 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.093 18.857 -2.817 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.124 19.605 -1.232 1.00 0.00 H new ATOM 573 N ILE A 41 6.440 15.536 -1.077 1.00 0.00 N ATOM 574 CA ILE A 41 5.702 14.498 -1.787 1.00 0.00 C ATOM 575 C ILE A 41 4.267 14.935 -2.061 1.00 0.00 C ATOM 576 O ILE A 41 3.639 15.598 -1.234 1.00 0.00 O ATOM 577 CB ILE A 41 5.682 13.179 -0.993 1.00 0.00 C ATOM 578 CG1 ILE A 41 7.079 12.862 -0.454 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.176 12.042 -1.868 1.00 0.00 C ATOM 580 CD1 ILE A 41 7.127 11.616 0.403 1.00 0.00 C ATOM 0 H ILE A 41 6.329 15.515 -0.063 1.00 0.00 H new ATOM 0 HA ILE A 41 6.217 14.335 -2.734 1.00 0.00 H new ATOM 0 HB ILE A 41 5.003 13.291 -0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.765 12.743 -1.293 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.435 13.710 0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.168 11.116 -1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.165 12.267 -2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.832 11.927 -2.731 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.147 11.452 0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.467 11.739 1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.802 10.757 -0.185 1.00 0.00 H new ATOM 592 N HIS A 42 3.751 14.557 -3.226 1.00 0.00 N ATOM 593 CA HIS A 42 2.388 14.907 -3.609 1.00 0.00 C ATOM 594 C HIS A 42 1.374 14.078 -2.827 1.00 0.00 C ATOM 595 O HIS A 42 0.372 14.601 -2.342 1.00 0.00 O ATOM 596 CB HIS A 42 2.187 14.696 -5.110 1.00 0.00 C ATOM 597 CG HIS A 42 2.669 15.841 -5.946 1.00 0.00 C ATOM 598 ND1 HIS A 42 2.601 15.849 -7.323 1.00 0.00 N ATOM 599 CD2 HIS A 42 3.227 17.023 -5.591 1.00 0.00 C ATOM 600 CE1 HIS A 42 3.098 16.985 -7.780 1.00 0.00 C ATOM 601 NE2 HIS A 42 3.485 17.715 -6.749 1.00 0.00 N ATOM 0 H HIS A 42 4.256 14.008 -3.921 1.00 0.00 H new ATOM 0 HA HIS A 42 2.230 15.959 -3.373 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.710 13.789 -5.414 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.127 14.534 -5.307 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.431 17.359 -4.585 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.175 17.268 -8.819 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.907 18.642 -6.804 1.00 0.00 H new ATOM 610 N GLY A 43 1.642 12.781 -2.708 1.00 0.00 N ATOM 611 CA GLY A 43 0.743 11.900 -1.985 1.00 0.00 C ATOM 612 C GLY A 43 1.346 10.532 -1.738 1.00 0.00 C ATOM 613 O GLY A 43 2.544 10.410 -1.480 1.00 0.00 O ATOM 0 H GLY A 43 2.466 12.325 -3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.482 12.356 -1.030 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.183 11.789 -2.549 1.00 0.00 H new ATOM 617 N PHE A 44 0.515 9.498 -1.817 1.00 0.00 N ATOM 618 CA PHE A 44 0.973 8.131 -1.597 1.00 0.00 C ATOM 619 C PHE A 44 0.091 7.136 -2.347 1.00 0.00 C ATOM 620 O PHE A 44 -1.113 7.052 -2.105 1.00 0.00 O ATOM 621 CB PHE A 44 0.973 7.804 -0.103 1.00 0.00 C ATOM 622 CG PHE A 44 2.222 8.243 0.607 1.00 0.00 C ATOM 623 CD1 PHE A 44 3.461 7.760 0.219 1.00 0.00 C ATOM 624 CD2 PHE A 44 2.157 9.140 1.661 1.00 0.00 C ATOM 625 CE1 PHE A 44 4.612 8.162 0.870 1.00 0.00 C ATOM 626 CE2 PHE A 44 3.304 9.546 2.316 1.00 0.00 C ATOM 627 CZ PHE A 44 4.533 9.057 1.919 1.00 0.00 C ATOM 0 H PHE A 44 -0.479 9.581 -2.032 1.00 0.00 H new ATOM 0 HA PHE A 44 1.991 8.049 -1.979 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.112 8.281 0.365 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.851 6.729 0.025 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.528 7.061 -0.602 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.198 9.526 1.974 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.572 7.777 0.559 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.239 10.245 3.137 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.431 9.374 2.428 1.00 0.00 H new ATOM 637 N TYR A 45 0.701 6.384 -3.257 1.00 0.00 N ATOM 638 CA TYR A 45 -0.028 5.396 -4.044 1.00 0.00 C ATOM 639 C TYR A 45 0.083 4.010 -3.417 1.00 0.00 C ATOM 640 O TYR A 45 1.124 3.647 -2.868 1.00 0.00 O ATOM 641 CB TYR A 45 0.504 5.364 -5.478 1.00 0.00 C ATOM 642 CG TYR A 45 -0.148 6.379 -6.389 1.00 0.00 C ATOM 643 CD1 TYR A 45 -1.529 6.534 -6.415 1.00 0.00 C ATOM 644 CD2 TYR A 45 0.617 7.186 -7.223 1.00 0.00 C ATOM 645 CE1 TYR A 45 -2.128 7.460 -7.246 1.00 0.00 C ATOM 646 CE2 TYR A 45 0.026 8.116 -8.056 1.00 0.00 C ATOM 647 CZ TYR A 45 -1.347 8.249 -8.065 1.00 0.00 C ATOM 648 OH TYR A 45 -1.940 9.173 -8.893 1.00 0.00 O ATOM 0 H TYR A 45 1.697 6.440 -3.468 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.079 5.684 -4.059 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.579 5.541 -5.462 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.351 4.367 -5.891 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.144 5.920 -5.774 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.692 7.084 -7.220 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.203 7.566 -7.255 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.636 8.736 -8.697 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.250 9.647 -9.402 1.00 0.00 H new ATOM 658 N ILE A 46 -0.997 3.241 -3.504 1.00 0.00 N ATOM 659 CA ILE A 46 -1.021 1.894 -2.947 1.00 0.00 C ATOM 660 C ILE A 46 -1.547 0.888 -3.965 1.00 0.00 C ATOM 661 O ILE A 46 -2.626 1.068 -4.531 1.00 0.00 O ATOM 662 CB ILE A 46 -1.890 1.825 -1.677 1.00 0.00 C ATOM 663 CG1 ILE A 46 -1.394 2.833 -0.638 1.00 0.00 C ATOM 664 CG2 ILE A 46 -1.880 0.416 -1.104 1.00 0.00 C ATOM 665 CD1 ILE A 46 -2.484 3.340 0.281 1.00 0.00 C ATOM 0 H ILE A 46 -1.866 3.527 -3.954 1.00 0.00 H new ATOM 0 HA ILE A 46 0.007 1.641 -2.688 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.916 2.080 -1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.611 2.369 -0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.941 3.680 -1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.498 0.384 -0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.276 -0.280 -1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.858 0.134 -0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.060 4.050 0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.257 3.834 -0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.922 2.502 0.823 1.00 0.00 H new ATOM 677 N TYR A 47 -0.780 -0.173 -4.191 1.00 0.00 N ATOM 678 CA TYR A 47 -1.169 -1.209 -5.141 1.00 0.00 C ATOM 679 C TYR A 47 -1.448 -2.527 -4.425 1.00 0.00 C ATOM 680 O TYR A 47 -0.856 -2.820 -3.386 1.00 0.00 O ATOM 681 CB TYR A 47 -0.072 -1.406 -6.188 1.00 0.00 C ATOM 682 CG TYR A 47 0.283 -0.142 -6.939 1.00 0.00 C ATOM 683 CD1 TYR A 47 0.845 0.945 -6.281 1.00 0.00 C ATOM 684 CD2 TYR A 47 0.058 -0.036 -8.306 1.00 0.00 C ATOM 685 CE1 TYR A 47 1.171 2.102 -6.963 1.00 0.00 C ATOM 686 CE2 TYR A 47 0.381 1.116 -8.996 1.00 0.00 C ATOM 687 CZ TYR A 47 0.937 2.182 -8.320 1.00 0.00 C ATOM 688 OH TYR A 47 1.261 3.332 -9.003 1.00 0.00 O ATOM 0 H TYR A 47 0.114 -0.338 -3.729 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.084 -0.887 -5.639 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.822 -1.790 -5.697 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.395 -2.164 -6.902 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.030 0.885 -5.219 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.377 -0.869 -8.838 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.606 2.939 -6.437 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.199 1.182 -10.059 1.00 0.00 H new ATOM 0 HH TYR A 47 1.263 3.151 -9.966 1.00 0.00 H new ATOM 698 N TYR A 48 -2.352 -3.319 -4.990 1.00 0.00 N ATOM 699 CA TYR A 48 -2.712 -4.606 -4.407 1.00 0.00 C ATOM 700 C TYR A 48 -3.312 -5.532 -5.461 1.00 0.00 C ATOM 701 O TYR A 48 -4.018 -5.088 -6.365 1.00 0.00 O ATOM 702 CB TYR A 48 -3.705 -4.410 -3.260 1.00 0.00 C ATOM 703 CG TYR A 48 -4.795 -3.407 -3.567 1.00 0.00 C ATOM 704 CD1 TYR A 48 -4.505 -2.054 -3.695 1.00 0.00 C ATOM 705 CD2 TYR A 48 -6.114 -3.813 -3.730 1.00 0.00 C ATOM 706 CE1 TYR A 48 -5.498 -1.135 -3.975 1.00 0.00 C ATOM 707 CE2 TYR A 48 -7.112 -2.901 -4.011 1.00 0.00 C ATOM 708 CZ TYR A 48 -6.800 -1.563 -4.132 1.00 0.00 C ATOM 709 OH TYR A 48 -7.791 -0.651 -4.412 1.00 0.00 O ATOM 0 H TYR A 48 -2.849 -3.092 -5.851 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.804 -5.067 -4.018 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.163 -5.369 -3.019 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.162 -4.084 -2.373 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.487 -1.715 -3.574 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.363 -4.860 -3.635 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.256 -0.087 -4.070 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.132 -3.234 -4.135 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.398 0.242 -4.500 1.00 0.00 H new ATOM 719 N ARG A 49 -3.024 -6.824 -5.335 1.00 0.00 N ATOM 720 CA ARG A 49 -3.533 -7.815 -6.276 1.00 0.00 C ATOM 721 C ARG A 49 -3.553 -9.204 -5.644 1.00 0.00 C ATOM 722 O ARG A 49 -2.644 -9.592 -4.911 1.00 0.00 O ATOM 723 CB ARG A 49 -2.678 -7.832 -7.544 1.00 0.00 C ATOM 724 CG ARG A 49 -1.304 -8.449 -7.344 1.00 0.00 C ATOM 725 CD ARG A 49 -1.324 -9.948 -7.599 1.00 0.00 C ATOM 726 NE ARG A 49 -0.288 -10.646 -6.844 1.00 0.00 N ATOM 727 CZ ARG A 49 0.138 -11.870 -7.138 1.00 0.00 C ATOM 728 NH1 ARG A 49 -0.380 -12.526 -8.166 1.00 0.00 N ATOM 729 NH2 ARG A 49 1.086 -12.438 -6.403 1.00 0.00 N ATOM 0 H ARG A 49 -2.441 -7.208 -4.591 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.554 -7.539 -6.539 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.206 -8.386 -8.321 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.559 -6.811 -7.906 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.589 -7.974 -8.016 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.962 -8.256 -6.327 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.301 -10.348 -7.329 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.186 -10.136 -8.664 1.00 0.00 H new ATOM 0 HE ARG A 49 0.132 -10.168 -6.047 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.107 -12.092 -8.734 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.051 -13.465 -8.390 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.488 -11.935 -5.612 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.412 -13.377 -6.629 1.00 0.00 H new ATOM 743 N PRO A 50 -4.615 -9.971 -5.934 1.00 0.00 N ATOM 744 CA PRO A 50 -4.779 -11.328 -5.405 1.00 0.00 C ATOM 745 C PRO A 50 -3.781 -12.310 -6.009 1.00 0.00 C ATOM 746 O PRO A 50 -3.431 -12.211 -7.186 1.00 0.00 O ATOM 747 CB PRO A 50 -6.207 -11.697 -5.813 1.00 0.00 C ATOM 748 CG PRO A 50 -6.488 -10.857 -7.011 1.00 0.00 C ATOM 749 CD PRO A 50 -5.736 -9.572 -6.801 1.00 0.00 C ATOM 0 HA PRO A 50 -4.604 -11.371 -4.330 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.290 -12.759 -6.046 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.914 -11.490 -5.010 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.161 -11.356 -7.923 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.557 -10.671 -7.115 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.385 -9.153 -7.744 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.360 -8.814 -6.328 1.00 0.00 H new ATOM 757 N THR A 51 -3.327 -13.260 -5.197 1.00 0.00 N ATOM 758 CA THR A 51 -2.369 -14.260 -5.652 1.00 0.00 C ATOM 759 C THR A 51 -2.868 -14.969 -6.905 1.00 0.00 C ATOM 760 O THR A 51 -2.075 -15.433 -7.725 1.00 0.00 O ATOM 761 CB THR A 51 -2.091 -15.309 -4.558 1.00 0.00 C ATOM 762 OG1 THR A 51 -0.783 -15.864 -4.734 1.00 0.00 O ATOM 763 CG2 THR A 51 -3.129 -16.420 -4.598 1.00 0.00 C ATOM 0 H THR A 51 -3.607 -13.358 -4.221 1.00 0.00 H new ATOM 0 HA THR A 51 -1.444 -13.731 -5.882 1.00 0.00 H new ATOM 0 HB THR A 51 -2.148 -14.815 -3.588 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.613 -16.529 -4.034 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.912 -17.149 -3.817 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.121 -15.998 -4.435 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.099 -16.911 -5.571 1.00 0.00 H new ATOM 771 N ASP A 52 -4.186 -15.050 -7.049 1.00 0.00 N ATOM 772 CA ASP A 52 -4.791 -15.702 -8.205 1.00 0.00 C ATOM 773 C ASP A 52 -4.571 -14.878 -9.470 1.00 0.00 C ATOM 774 O ASP A 52 -4.612 -15.406 -10.581 1.00 0.00 O ATOM 775 CB ASP A 52 -6.288 -15.913 -7.972 1.00 0.00 C ATOM 776 CG ASP A 52 -6.863 -17.001 -8.858 1.00 0.00 C ATOM 777 OD1 ASP A 52 -6.308 -18.119 -8.860 1.00 0.00 O ATOM 778 OD2 ASP A 52 -7.868 -16.733 -9.550 1.00 0.00 O ATOM 0 H ASP A 52 -4.856 -14.672 -6.379 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.312 -16.672 -8.337 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.457 -16.172 -6.927 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.817 -14.979 -8.159 1.00 0.00 H new ATOM 783 N SER A 53 -4.339 -13.581 -9.293 1.00 0.00 N ATOM 784 CA SER A 53 -4.118 -12.684 -10.420 1.00 0.00 C ATOM 785 C SER A 53 -3.137 -13.294 -11.416 1.00 0.00 C ATOM 786 O SER A 53 -2.491 -14.303 -11.130 1.00 0.00 O ATOM 787 CB SER A 53 -3.590 -11.334 -9.929 1.00 0.00 C ATOM 788 OG SER A 53 -4.631 -10.554 -9.366 1.00 0.00 O ATOM 0 H SER A 53 -4.299 -13.129 -8.380 1.00 0.00 H new ATOM 0 HA SER A 53 -5.073 -12.532 -10.924 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.809 -11.494 -9.186 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.135 -10.794 -10.759 1.00 0.00 H new ATOM 0 HG SER A 53 -5.482 -10.786 -9.793 1.00 0.00 H new ATOM 794 N ASP A 54 -3.031 -12.676 -12.587 1.00 0.00 N ATOM 795 CA ASP A 54 -2.129 -13.156 -13.627 1.00 0.00 C ATOM 796 C ASP A 54 -0.895 -12.265 -13.730 1.00 0.00 C ATOM 797 O ASP A 54 0.225 -12.708 -13.480 1.00 0.00 O ATOM 798 CB ASP A 54 -2.850 -13.208 -14.975 1.00 0.00 C ATOM 799 CG ASP A 54 -2.287 -14.275 -15.893 1.00 0.00 C ATOM 800 OD1 ASP A 54 -1.804 -15.306 -15.378 1.00 0.00 O ATOM 801 OD2 ASP A 54 -2.329 -14.079 -17.125 1.00 0.00 O ATOM 0 H ASP A 54 -3.559 -11.841 -12.840 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.807 -14.162 -13.358 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.910 -13.398 -14.809 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.773 -12.236 -15.462 1.00 0.00 H new ATOM 806 N ASN A 55 -1.109 -11.007 -14.101 1.00 0.00 N ATOM 807 CA ASN A 55 -0.014 -10.054 -14.240 1.00 0.00 C ATOM 808 C ASN A 55 -0.357 -8.730 -13.563 1.00 0.00 C ATOM 809 O ASN A 55 -1.437 -8.574 -12.993 1.00 0.00 O ATOM 810 CB ASN A 55 0.300 -9.817 -15.718 1.00 0.00 C ATOM 811 CG ASN A 55 0.448 -11.112 -16.492 1.00 0.00 C ATOM 812 OD1 ASN A 55 1.427 -11.841 -16.324 1.00 0.00 O ATOM 813 ND2 ASN A 55 -0.525 -11.406 -17.347 1.00 0.00 N ATOM 0 H ASN A 55 -2.031 -10.624 -14.311 1.00 0.00 H new ATOM 0 HA ASN A 55 0.865 -10.475 -13.752 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.495 -9.219 -16.164 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.220 -9.239 -15.803 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.479 -12.264 -17.896 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.318 -10.773 -17.455 1.00 0.00 H new ATOM 820 N ASP A 56 0.569 -7.780 -13.630 1.00 0.00 N ATOM 821 CA ASP A 56 0.366 -6.469 -13.026 1.00 0.00 C ATOM 822 C ASP A 56 -0.992 -5.895 -13.419 1.00 0.00 C ATOM 823 O ASP A 56 -1.546 -5.049 -12.717 1.00 0.00 O ATOM 824 CB ASP A 56 1.480 -5.510 -13.448 1.00 0.00 C ATOM 825 CG ASP A 56 1.585 -5.371 -14.954 1.00 0.00 C ATOM 826 OD1 ASP A 56 2.248 -6.222 -15.584 1.00 0.00 O ATOM 827 OD2 ASP A 56 1.003 -4.412 -15.502 1.00 0.00 O ATOM 0 H ASP A 56 1.469 -7.894 -14.097 1.00 0.00 H new ATOM 0 HA ASP A 56 0.392 -6.588 -11.943 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.298 -4.530 -13.007 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.431 -5.866 -13.052 1.00 0.00 H new ATOM 832 N SER A 57 -1.522 -6.360 -14.545 1.00 0.00 N ATOM 833 CA SER A 57 -2.813 -5.889 -15.034 1.00 0.00 C ATOM 834 C SER A 57 -3.839 -5.849 -13.907 1.00 0.00 C ATOM 835 O SER A 57 -4.817 -5.104 -13.968 1.00 0.00 O ATOM 836 CB SER A 57 -3.314 -6.791 -16.164 1.00 0.00 C ATOM 837 OG SER A 57 -2.668 -6.483 -17.387 1.00 0.00 O ATOM 0 H SER A 57 -1.078 -7.062 -15.136 1.00 0.00 H new ATOM 0 HA SER A 57 -2.681 -4.877 -15.418 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.134 -7.835 -15.907 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.391 -6.672 -16.278 1.00 0.00 H new ATOM 0 HG SER A 57 -3.004 -7.074 -18.093 1.00 0.00 H new ATOM 843 N ASP A 58 -3.609 -6.656 -12.877 1.00 0.00 N ATOM 844 CA ASP A 58 -4.513 -6.714 -11.734 1.00 0.00 C ATOM 845 C ASP A 58 -4.160 -5.641 -10.708 1.00 0.00 C ATOM 846 O ASP A 58 -5.040 -4.964 -10.176 1.00 0.00 O ATOM 847 CB ASP A 58 -4.458 -8.097 -11.083 1.00 0.00 C ATOM 848 CG ASP A 58 -5.171 -9.153 -11.906 1.00 0.00 C ATOM 849 OD1 ASP A 58 -4.621 -9.561 -12.950 1.00 0.00 O ATOM 850 OD2 ASP A 58 -6.278 -9.570 -11.506 1.00 0.00 O ATOM 0 H ASP A 58 -2.804 -7.279 -12.810 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.526 -6.530 -12.093 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.417 -8.389 -10.945 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.909 -8.047 -10.092 1.00 0.00 H new ATOM 855 N TYR A 59 -2.869 -5.493 -10.435 1.00 0.00 N ATOM 856 CA TYR A 59 -2.400 -4.506 -9.470 1.00 0.00 C ATOM 857 C TYR A 59 -3.188 -3.205 -9.595 1.00 0.00 C ATOM 858 O TYR A 59 -3.224 -2.586 -10.659 1.00 0.00 O ATOM 859 CB TYR A 59 -0.909 -4.232 -9.672 1.00 0.00 C ATOM 860 CG TYR A 59 -0.012 -5.133 -8.854 1.00 0.00 C ATOM 861 CD1 TYR A 59 -0.264 -5.359 -7.506 1.00 0.00 C ATOM 862 CD2 TYR A 59 1.089 -5.758 -9.427 1.00 0.00 C ATOM 863 CE1 TYR A 59 0.553 -6.180 -6.754 1.00 0.00 C ATOM 864 CE2 TYR A 59 1.910 -6.582 -8.683 1.00 0.00 C ATOM 865 CZ TYR A 59 1.639 -6.790 -7.347 1.00 0.00 C ATOM 866 OH TYR A 59 2.455 -7.610 -6.602 1.00 0.00 O ATOM 0 H TYR A 59 -2.128 -6.044 -10.868 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.556 -4.911 -8.470 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.666 -4.352 -10.728 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.701 -3.194 -9.413 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.114 -4.884 -7.038 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.306 -5.596 -10.472 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.343 -6.344 -5.707 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.760 -7.061 -9.145 1.00 0.00 H new ATOM 0 HH TYR A 59 1.916 -8.308 -6.176 1.00 0.00 H new ATOM 876 N LYS A 60 -3.819 -2.796 -8.499 1.00 0.00 N ATOM 877 CA LYS A 60 -4.606 -1.569 -8.483 1.00 0.00 C ATOM 878 C LYS A 60 -3.772 -0.394 -7.982 1.00 0.00 C ATOM 879 O LYS A 60 -2.571 -0.528 -7.745 1.00 0.00 O ATOM 880 CB LYS A 60 -5.842 -1.744 -7.597 1.00 0.00 C ATOM 881 CG LYS A 60 -6.978 -2.487 -8.279 1.00 0.00 C ATOM 882 CD LYS A 60 -8.006 -2.978 -7.273 1.00 0.00 C ATOM 883 CE LYS A 60 -8.949 -3.998 -7.892 1.00 0.00 C ATOM 884 NZ LYS A 60 -10.028 -4.400 -6.948 1.00 0.00 N ATOM 0 H LYS A 60 -3.800 -3.297 -7.611 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.924 -1.357 -9.504 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.558 -2.283 -6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.197 -0.762 -7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.461 -1.830 -9.003 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.578 -3.335 -8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.496 -3.424 -6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.580 -2.132 -6.896 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.394 -3.580 -8.795 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.383 -4.880 -8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.650 -5.096 -7.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.605 -4.822 -6.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.584 -3.563 -6.680 1.00 0.00 H new ATOM 898 N LYS A 61 -4.415 0.757 -7.823 1.00 0.00 N ATOM 899 CA LYS A 61 -3.734 1.956 -7.348 1.00 0.00 C ATOM 900 C LYS A 61 -4.673 2.821 -6.514 1.00 0.00 C ATOM 901 O LYS A 61 -5.789 3.127 -6.936 1.00 0.00 O ATOM 902 CB LYS A 61 -3.194 2.763 -8.531 1.00 0.00 C ATOM 903 CG LYS A 61 -2.206 3.844 -8.129 1.00 0.00 C ATOM 904 CD LYS A 61 -1.504 4.436 -9.340 1.00 0.00 C ATOM 905 CE LYS A 61 -2.478 5.184 -10.238 1.00 0.00 C ATOM 906 NZ LYS A 61 -1.772 6.061 -11.213 1.00 0.00 N ATOM 0 H LYS A 61 -5.408 0.886 -8.016 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.901 1.645 -6.718 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.711 2.084 -9.233 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.030 3.224 -9.057 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.729 4.633 -7.588 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.466 3.426 -7.446 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.717 5.114 -9.010 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.022 3.640 -9.908 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.099 4.468 -10.777 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.147 5.788 -9.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.470 6.553 -11.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.200 6.761 -10.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.153 5.482 -11.815 1.00 0.00 H new ATOM 920 N ASP A 62 -4.214 3.214 -5.331 1.00 0.00 N ATOM 921 CA ASP A 62 -5.013 4.047 -4.439 1.00 0.00 C ATOM 922 C ASP A 62 -4.191 5.219 -3.910 1.00 0.00 C ATOM 923 O ASP A 62 -3.278 5.036 -3.105 1.00 0.00 O ATOM 924 CB ASP A 62 -5.548 3.215 -3.273 1.00 0.00 C ATOM 925 CG ASP A 62 -6.895 2.590 -3.578 1.00 0.00 C ATOM 926 OD1 ASP A 62 -7.073 2.087 -4.706 1.00 0.00 O ATOM 927 OD2 ASP A 62 -7.772 2.606 -2.688 1.00 0.00 O ATOM 0 H ASP A 62 -3.293 2.969 -4.967 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.854 4.444 -5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.832 2.429 -3.033 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.636 3.847 -2.389 1.00 0.00 H new ATOM 932 N MET A 63 -4.522 6.422 -4.368 1.00 0.00 N ATOM 933 CA MET A 63 -3.815 7.623 -3.941 1.00 0.00 C ATOM 934 C MET A 63 -4.155 7.968 -2.494 1.00 0.00 C ATOM 935 O MET A 63 -5.286 7.771 -2.048 1.00 0.00 O ATOM 936 CB MET A 63 -4.166 8.800 -4.854 1.00 0.00 C ATOM 937 CG MET A 63 -3.084 9.866 -4.914 1.00 0.00 C ATOM 938 SD MET A 63 -3.739 11.497 -5.316 1.00 0.00 S ATOM 939 CE MET A 63 -3.957 12.188 -3.678 1.00 0.00 C ATOM 0 H MET A 63 -5.275 6.591 -5.035 1.00 0.00 H new ATOM 0 HA MET A 63 -2.745 7.427 -4.008 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.352 8.426 -5.861 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.094 9.255 -4.507 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.570 9.911 -3.954 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.341 9.583 -5.660 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.357 13.199 -3.760 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.651 11.568 -3.111 1.00 0.00 H new ATOM 0 HE3 MET A 63 -2.996 12.219 -3.165 1.00 0.00 H new ATOM 949 N VAL A 64 -3.170 8.483 -1.766 1.00 0.00 N ATOM 950 CA VAL A 64 -3.365 8.856 -0.370 1.00 0.00 C ATOM 951 C VAL A 64 -2.629 10.149 -0.038 1.00 0.00 C ATOM 952 O VAL A 64 -1.616 10.474 -0.657 1.00 0.00 O ATOM 953 CB VAL A 64 -2.882 7.745 0.581 1.00 0.00 C ATOM 954 CG1 VAL A 64 -3.239 8.081 2.021 1.00 0.00 C ATOM 955 CG2 VAL A 64 -3.472 6.403 0.175 1.00 0.00 C ATOM 0 H VAL A 64 -2.228 8.652 -2.120 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.436 9.004 -0.229 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.797 7.675 0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.890 7.284 2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.763 9.020 2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.320 8.180 2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.120 5.629 0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.560 6.456 0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.159 6.160 -0.841 1.00 0.00 H new ATOM 965 N GLU A 65 -3.146 10.883 0.942 1.00 0.00 N ATOM 966 CA GLU A 65 -2.537 12.142 1.356 1.00 0.00 C ATOM 967 C GLU A 65 -1.017 12.018 1.415 1.00 0.00 C ATOM 968 O GLU A 65 -0.480 10.931 1.627 1.00 0.00 O ATOM 969 CB GLU A 65 -3.078 12.572 2.720 1.00 0.00 C ATOM 970 CG GLU A 65 -4.595 12.564 2.804 1.00 0.00 C ATOM 971 CD GLU A 65 -5.151 11.204 3.180 1.00 0.00 C ATOM 972 OE1 GLU A 65 -4.396 10.213 3.102 1.00 0.00 O ATOM 973 OE2 GLU A 65 -6.341 11.132 3.552 1.00 0.00 O ATOM 0 H GLU A 65 -3.984 10.628 1.464 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.794 12.900 0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.677 11.908 3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.715 13.575 2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.918 13.301 3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.010 12.869 1.843 1.00 0.00 H new ATOM 980 N GLY A 66 -0.329 13.140 1.227 1.00 0.00 N ATOM 981 CA GLY A 66 1.122 13.135 1.262 1.00 0.00 C ATOM 982 C GLY A 66 1.667 13.104 2.676 1.00 0.00 C ATOM 983 O GLY A 66 2.817 12.722 2.897 1.00 0.00 O ATOM 0 H GLY A 66 -0.750 14.052 1.051 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.493 12.269 0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.498 14.021 0.750 1.00 0.00 H new ATOM 987 N ASP A 67 0.842 13.506 3.636 1.00 0.00 N ATOM 988 CA ASP A 67 1.248 13.523 5.036 1.00 0.00 C ATOM 989 C ASP A 67 0.734 12.286 5.766 1.00 0.00 C ATOM 990 O ASP A 67 1.368 11.796 6.700 1.00 0.00 O ATOM 991 CB ASP A 67 0.732 14.788 5.724 1.00 0.00 C ATOM 992 CG ASP A 67 -0.781 14.821 5.816 1.00 0.00 C ATOM 993 OD1 ASP A 67 -1.329 14.252 6.784 1.00 0.00 O ATOM 994 OD2 ASP A 67 -1.417 15.415 4.921 1.00 0.00 O ATOM 0 H ASP A 67 -0.113 13.825 3.470 1.00 0.00 H new ATOM 0 HA ASP A 67 2.337 13.518 5.073 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.155 14.851 6.726 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.079 15.664 5.175 1.00 0.00 H new ATOM 999 N ARG A 68 -0.421 11.788 5.335 1.00 0.00 N ATOM 1000 CA ARG A 68 -1.022 10.610 5.949 1.00 0.00 C ATOM 1001 C ARG A 68 -0.152 9.377 5.724 1.00 0.00 C ATOM 1002 O ARG A 68 0.240 9.078 4.596 1.00 0.00 O ATOM 1003 CB ARG A 68 -2.421 10.371 5.381 1.00 0.00 C ATOM 1004 CG ARG A 68 -3.168 9.234 6.059 1.00 0.00 C ATOM 1005 CD ARG A 68 -4.667 9.490 6.087 1.00 0.00 C ATOM 1006 NE ARG A 68 -5.435 8.248 6.054 1.00 0.00 N ATOM 1007 CZ ARG A 68 -6.745 8.200 5.843 1.00 0.00 C ATOM 1008 NH1 ARG A 68 -7.430 9.318 5.647 1.00 0.00 N ATOM 1009 NH2 ARG A 68 -7.374 7.031 5.827 1.00 0.00 N ATOM 0 H ARG A 68 -0.959 12.182 4.563 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.099 10.789 7.022 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.005 11.287 5.478 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.339 10.156 4.315 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.967 8.301 5.533 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.800 9.112 7.078 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.922 10.050 6.986 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.945 10.111 5.235 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.938 7.370 6.201 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.951 10.218 5.658 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.436 9.278 5.485 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.851 6.168 5.977 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.380 6.996 5.665 1.00 0.00 H new ATOM 1023 N TYR A 69 0.146 8.665 6.805 1.00 0.00 N ATOM 1024 CA TYR A 69 0.972 7.466 6.727 1.00 0.00 C ATOM 1025 C TYR A 69 0.144 6.215 7.007 1.00 0.00 C ATOM 1026 O TYR A 69 0.681 5.175 7.389 1.00 0.00 O ATOM 1027 CB TYR A 69 2.133 7.555 7.719 1.00 0.00 C ATOM 1028 CG TYR A 69 3.319 8.332 7.194 1.00 0.00 C ATOM 1029 CD1 TYR A 69 3.171 9.253 6.164 1.00 0.00 C ATOM 1030 CD2 TYR A 69 4.588 8.147 7.729 1.00 0.00 C ATOM 1031 CE1 TYR A 69 4.252 9.964 5.681 1.00 0.00 C ATOM 1032 CE2 TYR A 69 5.675 8.856 7.254 1.00 0.00 C ATOM 1033 CZ TYR A 69 5.502 9.763 6.229 1.00 0.00 C ATOM 1034 OH TYR A 69 6.581 10.471 5.752 1.00 0.00 O ATOM 0 H TYR A 69 -0.172 8.897 7.746 1.00 0.00 H new ATOM 0 HA TYR A 69 1.372 7.397 5.715 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.780 8.024 8.638 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.456 6.547 7.979 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.194 9.416 5.734 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.727 7.436 8.530 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.119 10.674 4.878 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.654 8.701 7.683 1.00 0.00 H new ATOM 0 HH TYR A 69 7.065 10.875 6.502 1.00 0.00 H new ATOM 1044 N TRP A 70 -1.165 6.325 6.814 1.00 0.00 N ATOM 1045 CA TRP A 70 -2.068 5.204 7.045 1.00 0.00 C ATOM 1046 C TRP A 70 -3.194 5.191 6.017 1.00 0.00 C ATOM 1047 O TRP A 70 -3.661 6.243 5.580 1.00 0.00 O ATOM 1048 CB TRP A 70 -2.651 5.274 8.458 1.00 0.00 C ATOM 1049 CG TRP A 70 -3.669 6.361 8.626 1.00 0.00 C ATOM 1050 CD1 TRP A 70 -3.425 7.692 8.810 1.00 0.00 C ATOM 1051 CD2 TRP A 70 -5.093 6.209 8.629 1.00 0.00 C ATOM 1052 NE1 TRP A 70 -4.611 8.376 8.927 1.00 0.00 N ATOM 1053 CE2 TRP A 70 -5.649 7.489 8.818 1.00 0.00 C ATOM 1054 CE3 TRP A 70 -5.952 5.116 8.487 1.00 0.00 C ATOM 1055 CZ2 TRP A 70 -7.023 7.704 8.870 1.00 0.00 C ATOM 1056 CZ3 TRP A 70 -7.317 5.330 8.539 1.00 0.00 C ATOM 1057 CH2 TRP A 70 -7.841 6.616 8.729 1.00 0.00 C ATOM 0 H TRP A 70 -1.625 7.179 6.498 1.00 0.00 H new ATOM 0 HA TRP A 70 -1.496 4.282 6.941 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.109 4.316 8.702 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.841 5.431 9.170 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.444 8.141 8.857 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.703 9.381 9.072 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.557 4.122 8.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -7.429 8.694 9.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.990 4.493 8.431 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.912 6.751 8.765 1.00 0.00 H new ATOM 1068 N HIS A 71 -3.627 3.994 5.635 1.00 0.00 N ATOM 1069 CA HIS A 71 -4.700 3.845 4.658 1.00 0.00 C ATOM 1070 C HIS A 71 -5.360 2.475 4.780 1.00 0.00 C ATOM 1071 O HIS A 71 -4.683 1.447 4.785 1.00 0.00 O ATOM 1072 CB HIS A 71 -4.159 4.038 3.241 1.00 0.00 C ATOM 1073 CG HIS A 71 -5.219 3.995 2.184 1.00 0.00 C ATOM 1074 ND1 HIS A 71 -5.436 3.109 1.184 1.00 0.00 N flip ATOM 1075 CD2 HIS A 71 -6.211 4.946 2.074 1.00 0.00 C flip ATOM 1076 CE1 HIS A 71 -6.546 3.536 0.496 1.00 0.00 C flip ATOM 1077 NE2 HIS A 71 -6.995 4.646 1.054 1.00 0.00 N flip ATOM 0 H HIS A 71 -3.252 3.113 5.987 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.450 4.610 4.860 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.641 4.996 3.186 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.420 3.264 3.035 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.329 5.803 2.721 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.981 3.044 -0.362 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.809 5.180 0.749 1.00 0.00 H new ATOM 1086 N SER A 72 -6.686 2.469 4.879 1.00 0.00 N ATOM 1087 CA SER A 72 -7.437 1.226 5.007 1.00 0.00 C ATOM 1088 C SER A 72 -8.120 0.867 3.691 1.00 0.00 C ATOM 1089 O SER A 72 -9.002 1.586 3.221 1.00 0.00 O ATOM 1090 CB SER A 72 -8.480 1.347 6.120 1.00 0.00 C ATOM 1091 OG SER A 72 -9.635 2.029 5.664 1.00 0.00 O ATOM 0 H SER A 72 -7.262 3.311 4.873 1.00 0.00 H new ATOM 0 HA SER A 72 -6.736 0.431 5.262 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.756 0.354 6.473 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.051 1.879 6.969 1.00 0.00 H new ATOM 0 HG SER A 72 -9.496 2.327 4.741 1.00 0.00 H new ATOM 1097 N ILE A 73 -7.707 -0.250 3.102 1.00 0.00 N ATOM 1098 CA ILE A 73 -8.279 -0.706 1.841 1.00 0.00 C ATOM 1099 C ILE A 73 -9.585 -1.458 2.070 1.00 0.00 C ATOM 1100 O ILE A 73 -9.800 -2.040 3.134 1.00 0.00 O ATOM 1101 CB ILE A 73 -7.302 -1.618 1.076 1.00 0.00 C ATOM 1102 CG1 ILE A 73 -5.890 -1.029 1.108 1.00 0.00 C ATOM 1103 CG2 ILE A 73 -7.769 -1.810 -0.359 1.00 0.00 C ATOM 1104 CD1 ILE A 73 -4.803 -2.050 0.852 1.00 0.00 C ATOM 0 H ILE A 73 -6.978 -0.856 3.478 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.475 0.184 1.244 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.281 -2.593 1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.818 -0.238 0.361 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.720 -0.566 2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.068 -2.457 -0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.758 -2.268 -0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.816 -0.842 -0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.829 -1.562 0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.848 -2.828 1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.947 -2.496 -0.132 1.00 0.00 H new ATOM 1116 N SER A 74 -10.455 -1.443 1.065 1.00 0.00 N ATOM 1117 CA SER A 74 -11.742 -2.123 1.157 1.00 0.00 C ATOM 1118 C SER A 74 -12.054 -2.872 -0.134 1.00 0.00 C ATOM 1119 O SER A 74 -11.278 -2.836 -1.090 1.00 0.00 O ATOM 1120 CB SER A 74 -12.853 -1.116 1.458 1.00 0.00 C ATOM 1121 OG SER A 74 -12.464 -0.216 2.482 1.00 0.00 O ATOM 0 H SER A 74 -10.292 -0.967 0.178 1.00 0.00 H new ATOM 0 HA SER A 74 -11.686 -2.846 1.971 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.097 -0.559 0.554 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.756 -1.646 1.760 1.00 0.00 H new ATOM 0 HG SER A 74 -13.191 0.418 2.654 1.00 0.00 H new ATOM 1127 N HIS A 75 -13.197 -3.551 -0.156 1.00 0.00 N ATOM 1128 CA HIS A 75 -13.614 -4.309 -1.330 1.00 0.00 C ATOM 1129 C HIS A 75 -12.599 -5.400 -1.661 1.00 0.00 C ATOM 1130 O HIS A 75 -12.239 -5.595 -2.823 1.00 0.00 O ATOM 1131 CB HIS A 75 -13.788 -3.377 -2.529 1.00 0.00 C ATOM 1132 CG HIS A 75 -14.853 -2.343 -2.334 1.00 0.00 C ATOM 1133 ND1 HIS A 75 -16.200 -2.618 -2.448 1.00 0.00 N ATOM 1134 CD2 HIS A 75 -14.765 -1.027 -2.029 1.00 0.00 C ATOM 1135 CE1 HIS A 75 -16.893 -1.516 -2.223 1.00 0.00 C ATOM 1136 NE2 HIS A 75 -16.045 -0.536 -1.966 1.00 0.00 N ATOM 0 H HIS A 75 -13.851 -3.592 0.626 1.00 0.00 H new ATOM 0 HA HIS A 75 -14.570 -4.783 -1.106 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -12.841 -2.877 -2.731 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -14.028 -3.972 -3.410 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -13.856 -0.467 -1.866 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -17.969 -1.431 -2.245 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -16.300 0.429 -1.755 1.00 0.00 H new ATOM 1145 N LEU A 76 -12.141 -6.106 -0.634 1.00 0.00 N ATOM 1146 CA LEU A 76 -11.166 -7.176 -0.815 1.00 0.00 C ATOM 1147 C LEU A 76 -11.822 -8.544 -0.650 1.00 0.00 C ATOM 1148 O LEU A 76 -13.033 -8.641 -0.453 1.00 0.00 O ATOM 1149 CB LEU A 76 -10.020 -7.024 0.186 1.00 0.00 C ATOM 1150 CG LEU A 76 -9.365 -5.644 0.252 1.00 0.00 C ATOM 1151 CD1 LEU A 76 -8.820 -5.378 1.646 1.00 0.00 C ATOM 1152 CD2 LEU A 76 -8.258 -5.528 -0.787 1.00 0.00 C ATOM 0 H LEU A 76 -12.429 -5.957 0.333 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.768 -7.103 -1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.396 -7.274 1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.252 -7.758 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.123 -4.893 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.358 -4.391 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.635 -5.417 2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.076 -6.134 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.803 -4.539 -0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.500 -6.288 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.677 -5.673 -1.783 1.00 0.00 H new ATOM 1164 N GLN A 77 -11.014 -9.596 -0.730 1.00 0.00 N ATOM 1165 CA GLN A 77 -11.517 -10.957 -0.588 1.00 0.00 C ATOM 1166 C GLN A 77 -11.233 -11.499 0.809 1.00 0.00 C ATOM 1167 O GLN A 77 -10.171 -11.267 1.388 1.00 0.00 O ATOM 1168 CB GLN A 77 -10.884 -11.869 -1.640 1.00 0.00 C ATOM 1169 CG GLN A 77 -10.904 -11.285 -3.043 1.00 0.00 C ATOM 1170 CD GLN A 77 -9.714 -10.388 -3.319 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -8.717 -10.421 -2.597 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -9.811 -9.581 -4.369 1.00 0.00 N ATOM 0 H GLN A 77 -10.009 -9.532 -0.892 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.597 -10.936 -0.737 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.852 -12.075 -1.356 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.410 -12.824 -1.645 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.918 -12.097 -3.770 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.823 -10.716 -3.182 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.656 -9.587 -4.940 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.040 -8.956 -4.604 1.00 0.00 H new ATOM 1181 N PRO A 78 -12.204 -12.238 1.366 1.00 0.00 N ATOM 1182 CA PRO A 78 -12.081 -12.828 2.703 1.00 0.00 C ATOM 1183 C PRO A 78 -11.061 -13.960 2.745 1.00 0.00 C ATOM 1184 O PRO A 78 -10.848 -14.654 1.751 1.00 0.00 O ATOM 1185 CB PRO A 78 -13.487 -13.365 2.983 1.00 0.00 C ATOM 1186 CG PRO A 78 -14.076 -13.609 1.636 1.00 0.00 C ATOM 1187 CD PRO A 78 -13.495 -12.555 0.734 1.00 0.00 C ATOM 0 HA PRO A 78 -11.732 -12.103 3.438 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -13.450 -14.282 3.571 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.079 -12.647 3.550 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.830 -14.609 1.278 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.163 -13.540 1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.364 -12.924 -0.283 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.139 -11.678 0.674 1.00 0.00 H new ATOM 1195 N GLU A 79 -10.432 -14.142 3.902 1.00 0.00 N ATOM 1196 CA GLU A 79 -9.433 -15.190 4.072 1.00 0.00 C ATOM 1197 C GLU A 79 -8.646 -15.406 2.783 1.00 0.00 C ATOM 1198 O GLU A 79 -8.354 -16.540 2.402 1.00 0.00 O ATOM 1199 CB GLU A 79 -10.102 -16.498 4.499 1.00 0.00 C ATOM 1200 CG GLU A 79 -11.499 -16.681 3.931 1.00 0.00 C ATOM 1201 CD GLU A 79 -12.014 -18.098 4.092 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -11.977 -18.617 5.228 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -12.453 -18.689 3.083 1.00 0.00 O ATOM 0 H GLU A 79 -10.597 -13.577 4.735 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.740 -14.873 4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.478 -17.335 4.184 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.154 -16.531 5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.182 -15.992 4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.494 -16.418 2.873 1.00 0.00 H new ATOM 1210 N THR A 80 -8.305 -14.309 2.114 1.00 0.00 N ATOM 1211 CA THR A 80 -7.553 -14.376 0.867 1.00 0.00 C ATOM 1212 C THR A 80 -6.144 -13.823 1.044 1.00 0.00 C ATOM 1213 O THR A 80 -5.941 -12.609 1.062 1.00 0.00 O ATOM 1214 CB THR A 80 -8.261 -13.598 -0.258 1.00 0.00 C ATOM 1215 OG1 THR A 80 -9.601 -14.075 -0.416 1.00 0.00 O ATOM 1216 CG2 THR A 80 -7.508 -13.742 -1.572 1.00 0.00 C ATOM 0 H THR A 80 -8.538 -13.363 2.415 1.00 0.00 H new ATOM 0 HA THR A 80 -7.494 -15.428 0.589 1.00 0.00 H new ATOM 0 HB THR A 80 -8.282 -12.544 0.017 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.084 -13.981 0.432 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.027 -13.184 -2.352 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.497 -13.350 -1.457 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.460 -14.795 -1.850 1.00 0.00 H new ATOM 1224 N SER A 81 -5.172 -14.721 1.174 1.00 0.00 N ATOM 1225 CA SER A 81 -3.781 -14.322 1.352 1.00 0.00 C ATOM 1226 C SER A 81 -3.185 -13.828 0.038 1.00 0.00 C ATOM 1227 O SER A 81 -2.882 -14.619 -0.856 1.00 0.00 O ATOM 1228 CB SER A 81 -2.958 -15.493 1.890 1.00 0.00 C ATOM 1229 OG SER A 81 -1.845 -15.034 2.638 1.00 0.00 O ATOM 0 H SER A 81 -5.323 -15.730 1.159 1.00 0.00 H new ATOM 0 HA SER A 81 -3.752 -13.505 2.073 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.586 -16.125 2.518 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.613 -16.110 1.061 1.00 0.00 H new ATOM 0 HG SER A 81 -1.336 -15.802 2.972 1.00 0.00 H new ATOM 1235 N TYR A 82 -3.020 -12.514 -0.072 1.00 0.00 N ATOM 1236 CA TYR A 82 -2.462 -11.913 -1.278 1.00 0.00 C ATOM 1237 C TYR A 82 -1.390 -10.885 -0.928 1.00 0.00 C ATOM 1238 O TYR A 82 -1.364 -10.352 0.181 1.00 0.00 O ATOM 1239 CB TYR A 82 -3.569 -11.252 -2.102 1.00 0.00 C ATOM 1240 CG TYR A 82 -4.411 -10.275 -1.312 1.00 0.00 C ATOM 1241 CD1 TYR A 82 -3.940 -9.001 -1.018 1.00 0.00 C ATOM 1242 CD2 TYR A 82 -5.676 -10.626 -0.859 1.00 0.00 C ATOM 1243 CE1 TYR A 82 -4.705 -8.106 -0.296 1.00 0.00 C ATOM 1244 CE2 TYR A 82 -6.449 -9.737 -0.138 1.00 0.00 C ATOM 1245 CZ TYR A 82 -5.959 -8.478 0.141 1.00 0.00 C ATOM 1246 OH TYR A 82 -6.726 -7.590 0.860 1.00 0.00 O ATOM 0 H TYR A 82 -3.264 -11.845 0.659 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.001 -12.705 -1.869 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.119 -10.731 -2.947 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.216 -12.027 -2.513 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.959 -8.706 -1.360 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.062 -11.611 -1.074 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.323 -7.120 -0.075 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.431 -10.026 0.205 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.516 -8.051 1.213 1.00 0.00 H new ATOM 1256 N ASP A 83 -0.508 -10.612 -1.883 1.00 0.00 N ATOM 1257 CA ASP A 83 0.566 -9.647 -1.679 1.00 0.00 C ATOM 1258 C ASP A 83 0.025 -8.220 -1.697 1.00 0.00 C ATOM 1259 O ASP A 83 -0.979 -7.935 -2.350 1.00 0.00 O ATOM 1260 CB ASP A 83 1.640 -9.812 -2.755 1.00 0.00 C ATOM 1261 CG ASP A 83 1.100 -9.583 -4.153 1.00 0.00 C ATOM 1262 OD1 ASP A 83 -0.094 -9.241 -4.278 1.00 0.00 O ATOM 1263 OD2 ASP A 83 1.871 -9.746 -5.121 1.00 0.00 O ATOM 0 H ASP A 83 -0.516 -11.045 -2.806 1.00 0.00 H new ATOM 0 HA ASP A 83 1.010 -9.836 -0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 83 2.453 -9.111 -2.563 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.062 -10.815 -2.692 1.00 0.00 H new ATOM 1268 N ILE A 84 0.697 -7.329 -0.975 1.00 0.00 N ATOM 1269 CA ILE A 84 0.284 -5.933 -0.908 1.00 0.00 C ATOM 1270 C ILE A 84 1.492 -5.004 -0.868 1.00 0.00 C ATOM 1271 O ILE A 84 2.330 -5.095 0.030 1.00 0.00 O ATOM 1272 CB ILE A 84 -0.598 -5.665 0.326 1.00 0.00 C ATOM 1273 CG1 ILE A 84 -1.842 -6.555 0.293 1.00 0.00 C ATOM 1274 CG2 ILE A 84 -0.991 -4.197 0.387 1.00 0.00 C ATOM 1275 CD1 ILE A 84 -2.495 -6.730 1.647 1.00 0.00 C ATOM 0 H ILE A 84 1.530 -7.549 -0.428 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.296 -5.732 -1.809 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.026 -5.905 1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.567 -6.127 -0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.568 -7.535 -0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.614 -4.023 1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.093 -3.582 0.452 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.548 -3.932 -0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.370 -7.372 1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.785 -7.187 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.800 -5.757 2.032 1.00 0.00 H new ATOM 1287 N LYS A 85 1.576 -4.108 -1.845 1.00 0.00 N ATOM 1288 CA LYS A 85 2.680 -3.158 -1.921 1.00 0.00 C ATOM 1289 C LYS A 85 2.166 -1.748 -2.193 1.00 0.00 C ATOM 1290 O LYS A 85 0.989 -1.553 -2.494 1.00 0.00 O ATOM 1291 CB LYS A 85 3.663 -3.574 -3.017 1.00 0.00 C ATOM 1292 CG LYS A 85 3.146 -3.329 -4.424 1.00 0.00 C ATOM 1293 CD LYS A 85 4.116 -3.845 -5.473 1.00 0.00 C ATOM 1294 CE LYS A 85 3.616 -3.564 -6.882 1.00 0.00 C ATOM 1295 NZ LYS A 85 4.350 -4.363 -7.901 1.00 0.00 N ATOM 0 H LYS A 85 0.892 -4.019 -2.596 1.00 0.00 H new ATOM 0 HA LYS A 85 3.195 -3.159 -0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.597 -3.028 -2.882 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.894 -4.633 -2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.180 -3.819 -4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.983 -2.261 -4.572 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.090 -3.376 -5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.257 -4.918 -5.343 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.551 -3.790 -6.941 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.729 -2.503 -7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.634 -3.745 -8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.197 -4.784 -7.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.733 -5.119 -8.260 1.00 0.00 H new ATOM 1309 N MET A 86 3.057 -0.768 -2.086 1.00 0.00 N ATOM 1310 CA MET A 86 2.694 0.624 -2.323 1.00 0.00 C ATOM 1311 C MET A 86 3.905 1.433 -2.776 1.00 0.00 C ATOM 1312 O MET A 86 5.041 0.968 -2.687 1.00 0.00 O ATOM 1313 CB MET A 86 2.099 1.242 -1.056 1.00 0.00 C ATOM 1314 CG MET A 86 3.116 1.450 0.053 1.00 0.00 C ATOM 1315 SD MET A 86 2.449 2.390 1.440 1.00 0.00 S ATOM 1316 CE MET A 86 2.262 4.008 0.694 1.00 0.00 C ATOM 0 H MET A 86 4.036 -0.912 -1.837 1.00 0.00 H new ATOM 0 HA MET A 86 1.946 0.647 -3.116 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.646 2.201 -1.307 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.299 0.599 -0.689 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.462 0.480 0.410 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.985 1.971 -0.349 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.921 4.718 1.194 1.00 0.00 H new ATOM 0 HE2 MET A 86 2.523 3.954 -0.363 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.228 4.338 0.796 1.00 0.00 H new ATOM 1326 N GLN A 87 3.654 2.645 -3.262 1.00 0.00 N ATOM 1327 CA GLN A 87 4.725 3.516 -3.730 1.00 0.00 C ATOM 1328 C GLN A 87 4.289 4.978 -3.703 1.00 0.00 C ATOM 1329 O GLN A 87 3.122 5.292 -3.939 1.00 0.00 O ATOM 1330 CB GLN A 87 5.149 3.125 -5.147 1.00 0.00 C ATOM 1331 CG GLN A 87 5.774 4.266 -5.932 1.00 0.00 C ATOM 1332 CD GLN A 87 4.744 5.108 -6.658 1.00 0.00 C ATOM 1333 OE1 GLN A 87 4.148 6.017 -6.079 1.00 0.00 O ATOM 1334 NE2 GLN A 87 4.528 4.810 -7.935 1.00 0.00 N ATOM 0 H GLN A 87 2.719 3.045 -3.342 1.00 0.00 H new ATOM 0 HA GLN A 87 5.575 3.396 -3.058 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.861 2.302 -5.090 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.278 2.756 -5.689 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.343 4.901 -5.252 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.481 3.860 -6.656 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.044 4.048 -8.375 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.846 5.343 -8.475 1.00 0.00 H new ATOM 1343 N CYS A 88 5.233 5.866 -3.412 1.00 0.00 N ATOM 1344 CA CYS A 88 4.945 7.295 -3.352 1.00 0.00 C ATOM 1345 C CYS A 88 5.342 7.984 -4.654 1.00 0.00 C ATOM 1346 O CYS A 88 6.081 7.425 -5.464 1.00 0.00 O ATOM 1347 CB CYS A 88 5.683 7.936 -2.176 1.00 0.00 C ATOM 1348 SG CYS A 88 7.365 8.475 -2.565 1.00 0.00 S ATOM 0 H CYS A 88 6.203 5.622 -3.214 1.00 0.00 H new ATOM 0 HA CYS A 88 3.872 7.419 -3.209 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.110 8.794 -1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 88 5.723 7.222 -1.353 1.00 0.00 H new ATOM 0 HG CYS A 88 7.906 9.005 -1.508 1.00 0.00 H new ATOM 1354 N PHE A 89 4.845 9.201 -4.848 1.00 0.00 N ATOM 1355 CA PHE A 89 5.146 9.966 -6.053 1.00 0.00 C ATOM 1356 C PHE A 89 5.058 11.465 -5.781 1.00 0.00 C ATOM 1357 O PHE A 89 4.392 11.898 -4.842 1.00 0.00 O ATOM 1358 CB PHE A 89 4.183 9.583 -7.179 1.00 0.00 C ATOM 1359 CG PHE A 89 2.766 10.015 -6.929 1.00 0.00 C ATOM 1360 CD1 PHE A 89 2.010 9.414 -5.936 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.190 11.021 -7.688 1.00 0.00 C ATOM 1362 CE1 PHE A 89 0.706 9.809 -5.703 1.00 0.00 C ATOM 1363 CE2 PHE A 89 0.887 11.420 -7.459 1.00 0.00 C ATOM 1364 CZ PHE A 89 0.144 10.813 -6.466 1.00 0.00 C ATOM 0 H PHE A 89 4.232 9.679 -4.187 1.00 0.00 H new ATOM 0 HA PHE A 89 6.165 9.729 -6.359 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.531 10.028 -8.111 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.206 8.502 -7.314 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.445 8.628 -5.337 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.766 11.498 -8.467 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.128 9.333 -4.925 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.450 12.206 -8.057 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.875 11.123 -6.287 1.00 0.00 H new ATOM 1374 N ASN A 90 5.737 12.251 -6.610 1.00 0.00 N ATOM 1375 CA ASN A 90 5.737 13.702 -6.460 1.00 0.00 C ATOM 1376 C ASN A 90 5.991 14.388 -7.799 1.00 0.00 C ATOM 1377 O ASN A 90 6.217 13.727 -8.812 1.00 0.00 O ATOM 1378 CB ASN A 90 6.799 14.130 -5.445 1.00 0.00 C ATOM 1379 CG ASN A 90 8.150 14.372 -6.090 1.00 0.00 C ATOM 1380 OD1 ASN A 90 8.494 13.745 -7.092 1.00 0.00 O ATOM 1381 ND2 ASN A 90 8.924 15.286 -5.516 1.00 0.00 N ATOM 0 H ASN A 90 6.294 11.908 -7.392 1.00 0.00 H new ATOM 0 HA ASN A 90 4.755 14.005 -6.098 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.471 15.040 -4.942 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.897 13.360 -4.680 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.844 15.492 -5.905 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.598 15.782 -4.686 1.00 0.00 H new ATOM 1388 N GLU A 91 5.952 15.717 -7.793 1.00 0.00 N ATOM 1389 CA GLU A 91 6.177 16.492 -9.008 1.00 0.00 C ATOM 1390 C GLU A 91 7.360 15.936 -9.796 1.00 0.00 C ATOM 1391 O GLU A 91 7.368 15.961 -11.026 1.00 0.00 O ATOM 1392 CB GLU A 91 6.425 17.961 -8.663 1.00 0.00 C ATOM 1393 CG GLU A 91 7.667 18.187 -7.816 1.00 0.00 C ATOM 1394 CD GLU A 91 7.946 19.657 -7.570 1.00 0.00 C ATOM 1395 OE1 GLU A 91 7.078 20.334 -6.980 1.00 0.00 O ATOM 1396 OE2 GLU A 91 9.032 20.130 -7.966 1.00 0.00 O ATOM 0 H GLU A 91 5.767 16.279 -6.962 1.00 0.00 H new ATOM 0 HA GLU A 91 5.283 16.418 -9.627 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.517 18.532 -9.587 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.557 18.352 -8.132 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.547 17.679 -6.859 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.527 17.736 -8.311 1.00 0.00 H new ATOM 1403 N GLY A 92 8.360 15.435 -9.076 1.00 0.00 N ATOM 1404 CA GLY A 92 9.535 14.881 -9.724 1.00 0.00 C ATOM 1405 C GLY A 92 9.243 13.575 -10.436 1.00 0.00 C ATOM 1406 O GLY A 92 9.813 13.293 -11.489 1.00 0.00 O ATOM 0 H GLY A 92 8.377 15.403 -8.057 1.00 0.00 H new ATOM 0 HA2 GLY A 92 9.925 15.603 -10.441 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.314 14.719 -8.979 1.00 0.00 H new ATOM 1410 N GLY A 93 8.352 12.774 -9.858 1.00 0.00 N ATOM 1411 CA GLY A 93 8.003 11.499 -10.457 1.00 0.00 C ATOM 1412 C GLY A 93 7.703 10.434 -9.421 1.00 0.00 C ATOM 1413 O GLY A 93 7.717 10.706 -8.221 1.00 0.00 O ATOM 0 H GLY A 93 7.866 12.985 -8.986 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.134 11.630 -11.101 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.823 11.163 -11.092 1.00 0.00 H new ATOM 1417 N GLU A 94 7.430 9.219 -9.885 1.00 0.00 N ATOM 1418 CA GLU A 94 7.122 8.111 -8.989 1.00 0.00 C ATOM 1419 C GLU A 94 8.394 7.557 -8.352 1.00 0.00 C ATOM 1420 O GLU A 94 9.461 7.561 -8.967 1.00 0.00 O ATOM 1421 CB GLU A 94 6.393 7.000 -9.747 1.00 0.00 C ATOM 1422 CG GLU A 94 4.899 7.237 -9.886 1.00 0.00 C ATOM 1423 CD GLU A 94 4.242 6.272 -10.854 1.00 0.00 C ATOM 1424 OE1 GLU A 94 4.734 6.147 -11.994 1.00 0.00 O ATOM 1425 OE2 GLU A 94 3.235 5.641 -10.469 1.00 0.00 O ATOM 0 H GLU A 94 7.416 8.977 -10.876 1.00 0.00 H new ATOM 0 HA GLU A 94 6.473 8.487 -8.198 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.831 6.902 -10.740 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.556 6.053 -9.232 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.427 7.142 -8.908 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.727 8.259 -10.225 1.00 0.00 H new ATOM 1432 N SER A 95 8.272 7.083 -7.117 1.00 0.00 N ATOM 1433 CA SER A 95 9.412 6.530 -6.394 1.00 0.00 C ATOM 1434 C SER A 95 9.498 5.019 -6.591 1.00 0.00 C ATOM 1435 O SER A 95 8.711 4.433 -7.333 1.00 0.00 O ATOM 1436 CB SER A 95 9.304 6.856 -4.904 1.00 0.00 C ATOM 1437 OG SER A 95 8.080 6.387 -4.366 1.00 0.00 O ATOM 0 H SER A 95 7.395 7.070 -6.595 1.00 0.00 H new ATOM 0 HA SER A 95 10.319 6.984 -6.793 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.138 6.402 -4.368 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.380 7.934 -4.758 1.00 0.00 H new ATOM 0 HG SER A 95 7.857 6.902 -3.563 1.00 0.00 H new ATOM 1443 N GLU A 96 10.463 4.396 -5.921 1.00 0.00 N ATOM 1444 CA GLU A 96 10.653 2.954 -6.023 1.00 0.00 C ATOM 1445 C GLU A 96 9.456 2.204 -5.446 1.00 0.00 C ATOM 1446 O GLU A 96 8.633 2.781 -4.734 1.00 0.00 O ATOM 1447 CB GLU A 96 11.931 2.533 -5.294 1.00 0.00 C ATOM 1448 CG GLU A 96 13.200 3.089 -5.919 1.00 0.00 C ATOM 1449 CD GLU A 96 13.554 2.405 -7.225 1.00 0.00 C ATOM 1450 OE1 GLU A 96 14.268 1.382 -7.185 1.00 0.00 O ATOM 1451 OE2 GLU A 96 13.117 2.894 -8.288 1.00 0.00 O ATOM 0 H GLU A 96 11.124 4.867 -5.303 1.00 0.00 H new ATOM 0 HA GLU A 96 10.744 2.700 -7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.873 2.862 -4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.990 1.445 -5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.076 4.158 -6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 96 14.026 2.975 -5.218 1.00 0.00 H new ATOM 1458 N PHE A 97 9.365 0.916 -5.759 1.00 0.00 N ATOM 1459 CA PHE A 97 8.267 0.087 -5.274 1.00 0.00 C ATOM 1460 C PHE A 97 8.587 -0.486 -3.896 1.00 0.00 C ATOM 1461 O PHE A 97 9.508 -1.289 -3.745 1.00 0.00 O ATOM 1462 CB PHE A 97 7.984 -1.049 -6.258 1.00 0.00 C ATOM 1463 CG PHE A 97 7.212 -0.613 -7.470 1.00 0.00 C ATOM 1464 CD1 PHE A 97 5.826 -0.605 -7.459 1.00 0.00 C ATOM 1465 CD2 PHE A 97 7.871 -0.211 -8.621 1.00 0.00 C ATOM 1466 CE1 PHE A 97 5.113 -0.206 -8.573 1.00 0.00 C ATOM 1467 CE2 PHE A 97 7.162 0.190 -9.738 1.00 0.00 C ATOM 1468 CZ PHE A 97 5.782 0.194 -9.714 1.00 0.00 C ATOM 0 H PHE A 97 10.038 0.423 -6.346 1.00 0.00 H new ATOM 0 HA PHE A 97 7.380 0.715 -5.191 1.00 0.00 H new ATOM 0 HB2 PHE A 97 8.930 -1.486 -6.577 1.00 0.00 H new ATOM 0 HB3 PHE A 97 7.427 -1.833 -5.745 1.00 0.00 H new ATOM 0 HD1 PHE A 97 5.297 -0.914 -6.569 1.00 0.00 H new ATOM 0 HD2 PHE A 97 8.951 -0.211 -8.646 1.00 0.00 H new ATOM 0 HE1 PHE A 97 4.033 -0.207 -8.552 1.00 0.00 H new ATOM 0 HE2 PHE A 97 7.688 0.500 -10.629 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.226 0.509 -10.585 1.00 0.00 H new ATOM 1478 N SER A 98 7.820 -0.067 -2.895 1.00 0.00 N ATOM 1479 CA SER A 98 8.023 -0.535 -1.529 1.00 0.00 C ATOM 1480 C SER A 98 8.124 -2.057 -1.485 1.00 0.00 C ATOM 1481 O SER A 98 8.025 -2.726 -2.512 1.00 0.00 O ATOM 1482 CB SER A 98 6.879 -0.063 -0.630 1.00 0.00 C ATOM 1483 OG SER A 98 5.658 -0.688 -0.987 1.00 0.00 O ATOM 0 H SER A 98 7.052 0.596 -3.004 1.00 0.00 H new ATOM 0 HA SER A 98 8.960 -0.115 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.115 -0.286 0.411 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.774 1.019 -0.708 1.00 0.00 H new ATOM 0 HG SER A 98 5.491 -0.557 -1.944 1.00 0.00 H new ATOM 1489 N ASN A 99 8.323 -2.596 -0.287 1.00 0.00 N ATOM 1490 CA ASN A 99 8.438 -4.039 -0.107 1.00 0.00 C ATOM 1491 C ASN A 99 7.071 -4.709 -0.194 1.00 0.00 C ATOM 1492 O ASN A 99 6.042 -4.079 0.050 1.00 0.00 O ATOM 1493 CB ASN A 99 9.089 -4.356 1.241 1.00 0.00 C ATOM 1494 CG ASN A 99 8.071 -4.495 2.356 1.00 0.00 C ATOM 1495 OD1 ASN A 99 7.258 -3.462 2.547 1.00 0.00 O flip ATOM 1496 ND2 ASN A 99 8.016 -5.519 3.037 1.00 0.00 N flip ATOM 0 H ASN A 99 8.408 -2.056 0.574 1.00 0.00 H new ATOM 0 HA ASN A 99 9.066 -4.430 -0.907 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.660 -5.280 1.157 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.796 -3.566 1.495 1.00 0.00 H new ATOM 0 HD21 ASN A 99 8.661 -6.288 2.855 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.326 -5.599 3.784 1.00 0.00 H new ATOM 1503 N VAL A 100 7.067 -5.992 -0.543 1.00 0.00 N ATOM 1504 CA VAL A 100 5.827 -6.749 -0.661 1.00 0.00 C ATOM 1505 C VAL A 100 5.412 -7.336 0.683 1.00 0.00 C ATOM 1506 O VAL A 100 6.122 -8.161 1.258 1.00 0.00 O ATOM 1507 CB VAL A 100 5.961 -7.890 -1.687 1.00 0.00 C ATOM 1508 CG1 VAL A 100 4.663 -8.677 -1.783 1.00 0.00 C ATOM 1509 CG2 VAL A 100 6.361 -7.338 -3.047 1.00 0.00 C ATOM 0 H VAL A 100 7.910 -6.529 -0.749 1.00 0.00 H new ATOM 0 HA VAL A 100 5.062 -6.052 -1.002 1.00 0.00 H new ATOM 0 HB VAL A 100 6.745 -8.568 -1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.777 -9.479 -2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.423 -9.104 -0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.857 -8.013 -2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.451 -8.157 -3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.601 -6.638 -3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.318 -6.823 -2.963 1.00 0.00 H new ATOM 1519 N MET A 101 4.257 -6.905 1.180 1.00 0.00 N ATOM 1520 CA MET A 101 3.746 -7.390 2.457 1.00 0.00 C ATOM 1521 C MET A 101 2.548 -8.311 2.249 1.00 0.00 C ATOM 1522 O MET A 101 1.573 -7.938 1.596 1.00 0.00 O ATOM 1523 CB MET A 101 3.350 -6.214 3.352 1.00 0.00 C ATOM 1524 CG MET A 101 4.524 -5.336 3.755 1.00 0.00 C ATOM 1525 SD MET A 101 5.638 -6.154 4.912 1.00 0.00 S ATOM 1526 CE MET A 101 4.973 -5.594 6.478 1.00 0.00 C ATOM 0 H MET A 101 3.658 -6.221 0.718 1.00 0.00 H new ATOM 0 HA MET A 101 4.538 -7.958 2.945 1.00 0.00 H new ATOM 0 HB2 MET A 101 2.612 -5.604 2.831 1.00 0.00 H new ATOM 0 HB3 MET A 101 2.868 -6.598 4.251 1.00 0.00 H new ATOM 0 HG2 MET A 101 5.080 -5.048 2.863 1.00 0.00 H new ATOM 0 HG3 MET A 101 4.148 -4.418 4.206 1.00 0.00 H new ATOM 0 HE1 MET A 101 5.702 -4.954 6.975 1.00 0.00 H new ATOM 0 HE2 MET A 101 4.056 -5.031 6.304 1.00 0.00 H new ATOM 0 HE3 MET A 101 4.756 -6.455 7.110 1.00 0.00 H new ATOM 1536 N ILE A 102 2.629 -9.514 2.807 1.00 0.00 N ATOM 1537 CA ILE A 102 1.551 -10.488 2.682 1.00 0.00 C ATOM 1538 C ILE A 102 0.588 -10.395 3.861 1.00 0.00 C ATOM 1539 O ILE A 102 0.838 -10.963 4.925 1.00 0.00 O ATOM 1540 CB ILE A 102 2.097 -11.925 2.591 1.00 0.00 C ATOM 1541 CG1 ILE A 102 2.974 -12.082 1.347 1.00 0.00 C ATOM 1542 CG2 ILE A 102 0.952 -12.926 2.570 1.00 0.00 C ATOM 1543 CD1 ILE A 102 3.745 -13.383 1.312 1.00 0.00 C ATOM 0 H ILE A 102 3.429 -9.838 3.350 1.00 0.00 H new ATOM 0 HA ILE A 102 1.018 -10.253 1.761 1.00 0.00 H new ATOM 0 HB ILE A 102 2.709 -12.123 3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.346 -12.017 0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.677 -11.251 1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.354 -13.937 2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.365 -12.826 3.483 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.316 -12.733 1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.345 -13.426 0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.400 -13.442 2.182 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.047 -14.220 1.326 1.00 0.00 H new ATOM 1555 N CYS A 103 -0.513 -9.679 3.664 1.00 0.00 N ATOM 1556 CA CYS A 103 -1.515 -9.513 4.711 1.00 0.00 C ATOM 1557 C CYS A 103 -2.765 -10.330 4.402 1.00 0.00 C ATOM 1558 O CYS A 103 -3.499 -10.027 3.462 1.00 0.00 O ATOM 1559 CB CYS A 103 -1.881 -8.036 4.866 1.00 0.00 C ATOM 1560 SG CYS A 103 -2.447 -7.586 6.523 1.00 0.00 S ATOM 0 H CYS A 103 -0.735 -9.204 2.789 1.00 0.00 H new ATOM 0 HA CYS A 103 -1.090 -9.874 5.647 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -1.012 -7.429 4.613 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -2.662 -7.789 4.147 1.00 0.00 H new ATOM 0 HG CYS A 103 -2.730 -6.318 6.555 1.00 0.00 H new ATOM 1566 N GLU A 104 -2.999 -11.368 5.199 1.00 0.00 N ATOM 1567 CA GLU A 104 -4.159 -12.230 5.007 1.00 0.00 C ATOM 1568 C GLU A 104 -5.401 -11.624 5.655 1.00 0.00 C ATOM 1569 O GLU A 104 -5.405 -11.315 6.848 1.00 0.00 O ATOM 1570 CB GLU A 104 -3.893 -13.619 5.592 1.00 0.00 C ATOM 1571 CG GLU A 104 -4.779 -14.706 5.007 1.00 0.00 C ATOM 1572 CD GLU A 104 -5.052 -15.828 5.990 1.00 0.00 C ATOM 1573 OE1 GLU A 104 -4.081 -16.359 6.568 1.00 0.00 O ATOM 1574 OE2 GLU A 104 -6.236 -16.175 6.181 1.00 0.00 O ATOM 0 H GLU A 104 -2.402 -11.632 5.982 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.337 -12.322 3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.849 -13.882 5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.040 -13.584 6.671 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.725 -14.267 4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.304 -15.116 4.116 1.00 0.00 H new ATOM 1581 N THR A 105 -6.453 -11.455 4.861 1.00 0.00 N ATOM 1582 CA THR A 105 -7.700 -10.885 5.355 1.00 0.00 C ATOM 1583 C THR A 105 -8.344 -11.790 6.399 1.00 0.00 C ATOM 1584 O THR A 105 -7.819 -12.856 6.720 1.00 0.00 O ATOM 1585 CB THR A 105 -8.702 -10.647 4.210 1.00 0.00 C ATOM 1586 OG1 THR A 105 -8.709 -11.771 3.324 1.00 0.00 O ATOM 1587 CG2 THR A 105 -8.349 -9.386 3.435 1.00 0.00 C ATOM 0 H THR A 105 -6.466 -11.705 3.872 1.00 0.00 H new ATOM 0 HA THR A 105 -7.449 -9.928 5.813 1.00 0.00 H new ATOM 0 HB THR A 105 -9.694 -10.521 4.645 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.124 -11.515 2.474 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.071 -9.239 2.631 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.373 -8.528 4.106 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.350 -9.487 3.011 1.00 0.00 H new ATOM 1595 N LYS A 106 -9.486 -11.360 6.925 1.00 0.00 N ATOM 1596 CA LYS A 106 -10.204 -12.133 7.931 1.00 0.00 C ATOM 1597 C LYS A 106 -11.183 -13.102 7.277 1.00 0.00 C ATOM 1598 O LYS A 106 -11.628 -12.884 6.151 1.00 0.00 O ATOM 1599 CB LYS A 106 -10.955 -11.198 8.882 1.00 0.00 C ATOM 1600 CG LYS A 106 -10.043 -10.421 9.816 1.00 0.00 C ATOM 1601 CD LYS A 106 -10.736 -10.096 11.129 1.00 0.00 C ATOM 1602 CE LYS A 106 -10.060 -8.937 11.845 1.00 0.00 C ATOM 1603 NZ LYS A 106 -11.015 -8.179 12.700 1.00 0.00 N ATOM 0 H LYS A 106 -9.934 -10.480 6.671 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.474 -12.710 8.499 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.545 -10.494 8.295 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.656 -11.784 9.476 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.142 -11.002 10.013 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.727 -9.497 9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.780 -9.848 10.939 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.730 -10.976 11.772 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.244 -9.317 12.460 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.618 -8.264 11.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -10.579 -7.991 13.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.253 -7.277 12.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -11.881 -8.739 12.833 1.00 0.00 H new ATOM 1617 N ALA A 107 -11.514 -14.174 7.990 1.00 0.00 N ATOM 1618 CA ALA A 107 -12.443 -15.174 7.480 1.00 0.00 C ATOM 1619 C ALA A 107 -13.871 -14.639 7.462 1.00 0.00 C ATOM 1620 O ALA A 107 -14.352 -14.094 8.456 1.00 0.00 O ATOM 1621 CB ALA A 107 -12.363 -16.443 8.315 1.00 0.00 C ATOM 0 H ALA A 107 -11.152 -14.372 8.923 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.158 -15.409 6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.062 -17.181 7.923 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.350 -16.844 8.272 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.619 -16.215 9.350 1.00 0.00 H new ATOM 1627 N ARG A 108 -14.544 -14.798 6.327 1.00 0.00 N ATOM 1628 CA ARG A 108 -15.916 -14.329 6.180 1.00 0.00 C ATOM 1629 C ARG A 108 -16.886 -15.245 6.922 1.00 0.00 C ATOM 1630 O ARG A 108 -16.653 -16.448 7.038 1.00 0.00 O ATOM 1631 CB ARG A 108 -16.298 -14.256 4.700 1.00 0.00 C ATOM 1632 CG ARG A 108 -16.000 -15.533 3.931 1.00 0.00 C ATOM 1633 CD ARG A 108 -16.764 -15.582 2.617 1.00 0.00 C ATOM 1634 NE ARG A 108 -18.096 -16.159 2.779 1.00 0.00 N ATOM 1635 CZ ARG A 108 -18.325 -17.464 2.874 1.00 0.00 C ATOM 1636 NH1 ARG A 108 -17.316 -18.323 2.823 1.00 0.00 N ATOM 1637 NH2 ARG A 108 -19.565 -17.912 3.020 1.00 0.00 N ATOM 0 H ARG A 108 -14.161 -15.248 5.496 1.00 0.00 H new ATOM 0 HA ARG A 108 -15.980 -13.331 6.614 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -17.362 -14.033 4.619 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -15.762 -13.428 4.235 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -14.930 -15.599 3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -16.266 -16.397 4.540 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -16.853 -14.574 2.211 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -16.200 -16.169 1.892 1.00 0.00 H new ATOM 0 HE ARG A 108 -18.894 -15.525 2.822 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -16.361 -17.982 2.711 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -17.495 -19.325 2.896 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -20.344 -17.254 3.059 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -19.740 -18.914 3.093 1.00 0.00 H new ATOM 1651 N SER A 109 -17.974 -14.666 7.421 1.00 0.00 N ATOM 1652 CA SER A 109 -18.976 -15.429 8.155 1.00 0.00 C ATOM 1653 C SER A 109 -20.169 -15.759 7.262 1.00 0.00 C ATOM 1654 O SER A 109 -20.602 -14.936 6.457 1.00 0.00 O ATOM 1655 CB SER A 109 -19.445 -14.646 9.383 1.00 0.00 C ATOM 1656 OG SER A 109 -19.905 -15.520 10.400 1.00 0.00 O ATOM 0 H SER A 109 -18.183 -13.672 7.330 1.00 0.00 H new ATOM 0 HA SER A 109 -18.519 -16.363 8.481 1.00 0.00 H new ATOM 0 HB2 SER A 109 -18.625 -14.038 9.765 1.00 0.00 H new ATOM 0 HB3 SER A 109 -20.244 -13.962 9.098 1.00 0.00 H new ATOM 0 HG SER A 109 -20.197 -14.996 11.174 1.00 0.00 H new ATOM 1662 N GLY A 110 -20.696 -16.970 7.413 1.00 0.00 N ATOM 1663 CA GLY A 110 -21.833 -17.389 6.614 1.00 0.00 C ATOM 1664 C GLY A 110 -22.713 -18.388 7.338 1.00 0.00 C ATOM 1665 O GLY A 110 -22.541 -18.651 8.528 1.00 0.00 O ATOM 0 H GLY A 110 -20.356 -17.668 8.074 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -22.426 -16.515 6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -21.476 -17.831 5.684 1.00 0.00 H new ATOM 1669 N PRO A 111 -23.684 -18.962 6.612 1.00 0.00 N ATOM 1670 CA PRO A 111 -24.615 -19.946 7.172 1.00 0.00 C ATOM 1671 C PRO A 111 -23.934 -21.273 7.491 1.00 0.00 C ATOM 1672 O PRO A 111 -24.221 -21.900 8.511 1.00 0.00 O ATOM 1673 CB PRO A 111 -25.649 -20.130 6.059 1.00 0.00 C ATOM 1674 CG PRO A 111 -24.926 -19.772 4.807 1.00 0.00 C ATOM 1675 CD PRO A 111 -23.947 -18.696 5.188 1.00 0.00 C ATOM 0 HA PRO A 111 -25.041 -19.611 8.118 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -26.015 -21.156 6.025 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -26.515 -19.487 6.213 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -24.411 -20.639 4.392 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -25.619 -19.417 4.044 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -23.035 -18.754 4.593 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -24.364 -17.701 5.036 1.00 0.00 H new ATOM 1683 N SER A 112 -23.029 -21.694 6.613 1.00 0.00 N ATOM 1684 CA SER A 112 -22.309 -22.949 6.800 1.00 0.00 C ATOM 1685 C SER A 112 -20.938 -22.700 7.421 1.00 0.00 C ATOM 1686 O SER A 112 -20.030 -22.191 6.764 1.00 0.00 O ATOM 1687 CB SER A 112 -22.152 -23.675 5.462 1.00 0.00 C ATOM 1688 OG SER A 112 -21.983 -25.069 5.656 1.00 0.00 O ATOM 0 H SER A 112 -22.777 -21.185 5.766 1.00 0.00 H new ATOM 0 HA SER A 112 -22.888 -23.575 7.479 1.00 0.00 H new ATOM 0 HB2 SER A 112 -23.030 -23.495 4.841 1.00 0.00 H new ATOM 0 HB3 SER A 112 -21.293 -23.272 4.925 1.00 0.00 H new ATOM 0 HG SER A 112 -21.887 -25.511 4.787 1.00 0.00 H new ATOM 1694 N SER A 113 -20.796 -23.065 8.691 1.00 0.00 N ATOM 1695 CA SER A 113 -19.537 -22.879 9.404 1.00 0.00 C ATOM 1696 C SER A 113 -18.907 -24.223 9.753 1.00 0.00 C ATOM 1697 O SER A 113 -19.606 -25.191 10.049 1.00 0.00 O ATOM 1698 CB SER A 113 -19.764 -22.063 10.678 1.00 0.00 C ATOM 1699 OG SER A 113 -18.582 -21.383 11.065 1.00 0.00 O ATOM 0 H SER A 113 -21.537 -23.491 9.248 1.00 0.00 H new ATOM 0 HA SER A 113 -18.854 -22.336 8.750 1.00 0.00 H new ATOM 0 HB2 SER A 113 -20.565 -21.342 10.514 1.00 0.00 H new ATOM 0 HB3 SER A 113 -20.088 -22.722 11.483 1.00 0.00 H new ATOM 0 HG SER A 113 -18.753 -20.867 11.881 1.00 0.00 H new ATOM 1705 N GLY A 114 -17.579 -24.275 9.715 1.00 0.00 N ATOM 1706 CA GLY A 114 -16.875 -25.504 10.029 1.00 0.00 C ATOM 1707 C GLY A 114 -15.610 -25.261 10.829 1.00 0.00 C ATOM 1708 O GLY A 114 -14.887 -24.296 10.581 1.00 0.00 O ATOM 0 H GLY A 114 -16.978 -23.487 9.472 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -17.536 -26.164 10.592 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -16.622 -26.021 9.103 1.00 0.00 H new TER 1712 GLY A 114