USER MOD reduce.3.24.130724 H: found=0, std=0, add=1089, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1098 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 94 GLN : amide:sc= 1.04 K(o=2.2,f=0.37) USER MOD Set 1.2: A 107 THR OG1 : rot -42:sc= 1.17 USER MOD Set 2.1: A 5 ASN : amide:sc= 0.811 K(o=1.2,f=-2.2) USER MOD Set 2.2: A 44 GLN : amide:sc= 0.342 K(o=1.2,f=-0.25) USER MOD Set 3.1: A 10 MET CE :methyl -166:sc= -0.035 (180deg=-0.194) USER MOD Set 3.2: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 119 MET CE :methyl -161:sc= -0.363 (180deg=-0.212) USER MOD Set 3.4: A 126 CYS SG : rot -102:sc= -0.761! USER MOD Set 3.5: A 128 GLN : amide:sc= -0.0571 K(o=-1.2,f=-3.3) USER MOD Set 4.1: A 13 ASN :FLIP amide:sc= 0.386 F(o=-0.29,f=0.39) USER MOD Set 4.2: A 34 ASN : amide:sc= 0 X(o=0.39,f=0.39) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 26:sc= 0.0377 USER MOD Single : A 15 ASN : amide:sc= 0.0521 X(o=0.052,f=0.53) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.52) USER MOD Single : A 31 LYS NZ :NH3+ 176:sc= 0.848 (180deg=0.837) USER MOD Single : A 37 LYS NZ :NH3+ -162:sc= 0.137 (180deg=-0.0306) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 142:sc= -0.0506 (180deg=-0.666) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 100:sc= -0.33 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.567 K(o=0.57,f=-6!) USER MOD Single : A 60 TYR OH : rot -56:sc= 1.14 USER MOD Single : A 62 MET CE :methyl 180:sc=-0.00303 (180deg=-0.00303) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 49:sc= 0.0683 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot 160:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -164:sc= 1.26 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 5:sc= 0.33 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot -169:sc= -0.793 USER MOD Single : A 97 GLN :FLIP amide:sc= 0.855 F(o=-0.57,f=0.86) USER MOD Single : A 98 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.383) USER MOD Single : A 101 LYS NZ :NH3+ -175:sc= 0.875 (180deg=0.847) USER MOD Single : A 108 GLN : amide:sc= -0.022 X(o=-0.022,f=-0.16) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ -174:sc= 0.00526 (180deg=0.00339) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 1.756 1.142 0.153 1.00 0.00 N ATOM 2 CA MET A 0 2.020 0.065 -0.836 1.00 0.00 C ATOM 3 C MET A 0 3.539 -0.328 -0.791 1.00 0.00 C ATOM 4 O MET A 0 4.348 0.395 -1.392 1.00 0.00 O ATOM 5 CB MET A 0 1.532 0.493 -2.248 1.00 0.00 C ATOM 6 CG MET A 0 0.000 0.547 -2.421 1.00 0.00 C ATOM 7 SD MET A 0 -0.407 1.073 -4.095 1.00 0.00 S ATOM 8 CE MET A 0 -2.205 1.023 -3.994 1.00 0.00 C ATOM 0 H1 MET A 0 0.749 1.402 0.123 1.00 0.00 H new ATOM 0 H2 MET A 0 1.998 0.805 1.107 1.00 0.00 H new ATOM 0 H3 MET A 0 2.336 1.974 -0.077 1.00 0.00 H new ATOM 0 HA MET A 0 1.452 -0.830 -0.580 1.00 0.00 H new ATOM 0 HB2 MET A 0 1.943 1.477 -2.475 1.00 0.00 H new ATOM 0 HB3 MET A 0 1.941 -0.200 -2.983 1.00 0.00 H new ATOM 0 HG2 MET A 0 -0.432 -0.434 -2.223 1.00 0.00 H new ATOM 0 HG3 MET A 0 -0.433 1.238 -1.698 1.00 0.00 H new ATOM 0 HE1 MET A 0 -2.632 1.322 -4.951 1.00 0.00 H new ATOM 0 HE2 MET A 0 -2.528 0.010 -3.753 1.00 0.00 H new ATOM 0 HE3 MET A 0 -2.545 1.707 -3.216 1.00 0.00 H new ATOM 19 N PRO A 1 3.999 -1.420 -0.106 1.00 0.00 N ATOM 20 CA PRO A 1 5.451 -1.722 0.039 1.00 0.00 C ATOM 21 C PRO A 1 6.144 -2.261 -1.251 1.00 0.00 C ATOM 22 O PRO A 1 5.588 -3.078 -1.993 1.00 0.00 O ATOM 23 CB PRO A 1 5.447 -2.729 1.198 1.00 0.00 C ATOM 24 CG PRO A 1 4.094 -3.424 1.141 1.00 0.00 C ATOM 25 CD PRO A 1 3.139 -2.320 0.691 1.00 0.00 C ATOM 0 HA PRO A 1 6.047 -0.829 0.228 1.00 0.00 H new ATOM 0 HB2 PRO A 1 6.260 -3.448 1.094 1.00 0.00 H new ATOM 0 HB3 PRO A 1 5.587 -2.225 2.154 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.101 -4.258 0.439 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.810 -3.828 2.113 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.317 -2.719 0.097 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.696 -1.802 1.541 1.00 0.00 H new ATOM 33 N VAL A 2 7.374 -1.790 -1.512 1.00 0.00 N ATOM 34 CA VAL A 2 8.111 -2.111 -2.774 1.00 0.00 C ATOM 35 C VAL A 2 8.750 -3.545 -2.701 1.00 0.00 C ATOM 36 O VAL A 2 9.226 -3.992 -1.650 1.00 0.00 O ATOM 37 CB VAL A 2 9.183 -1.020 -3.165 1.00 0.00 C ATOM 38 CG1 VAL A 2 9.461 -0.997 -4.688 1.00 0.00 C ATOM 39 CG2 VAL A 2 8.909 0.442 -2.729 1.00 0.00 C ATOM 0 H VAL A 2 7.891 -1.184 -0.874 1.00 0.00 H new ATOM 0 HA VAL A 2 7.372 -2.102 -3.575 1.00 0.00 H new ATOM 0 HB VAL A 2 10.043 -1.359 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.204 -0.232 -4.911 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.836 -1.970 -5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.538 -0.773 -5.223 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.726 1.081 -3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 2 7.975 0.785 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 2 8.833 0.490 -1.643 1.00 0.00 H new ATOM 49 N ASP A 3 8.814 -4.254 -3.842 1.00 0.00 N ATOM 50 CA ASP A 3 9.518 -5.561 -3.942 1.00 0.00 C ATOM 51 C ASP A 3 11.075 -5.384 -3.889 1.00 0.00 C ATOM 52 O ASP A 3 11.720 -5.098 -4.901 1.00 0.00 O ATOM 53 CB ASP A 3 8.988 -6.244 -5.233 1.00 0.00 C ATOM 54 CG ASP A 3 9.405 -7.703 -5.403 1.00 0.00 C ATOM 55 OD1 ASP A 3 10.410 -8.048 -6.016 1.00 0.00 O ATOM 56 OD2 ASP A 3 8.533 -8.564 -4.799 1.00 0.00 O ATOM 0 H ASP A 3 8.387 -3.948 -4.716 1.00 0.00 H new ATOM 0 HA ASP A 3 9.309 -6.206 -3.089 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.899 -6.189 -5.235 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.338 -5.678 -6.096 1.00 0.00 H new ATOM 62 N PHE A 4 11.668 -5.567 -2.693 1.00 0.00 N ATOM 63 CA PHE A 4 13.150 -5.447 -2.507 1.00 0.00 C ATOM 64 C PHE A 4 14.022 -6.676 -2.985 1.00 0.00 C ATOM 65 O PHE A 4 15.246 -6.641 -2.831 1.00 0.00 O ATOM 66 CB PHE A 4 13.451 -5.058 -1.021 1.00 0.00 C ATOM 67 CG PHE A 4 13.067 -3.679 -0.415 1.00 0.00 C ATOM 68 CD1 PHE A 4 12.179 -2.775 -1.012 1.00 0.00 C ATOM 69 CD2 PHE A 4 13.638 -3.339 0.820 1.00 0.00 C ATOM 70 CE1 PHE A 4 11.883 -1.557 -0.401 1.00 0.00 C ATOM 71 CE2 PHE A 4 13.335 -2.122 1.431 1.00 0.00 C ATOM 72 CZ PHE A 4 12.458 -1.235 0.819 1.00 0.00 C ATOM 0 H PHE A 4 11.159 -5.797 -1.840 1.00 0.00 H new ATOM 0 HA PHE A 4 13.468 -4.656 -3.186 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.971 -5.814 -0.399 1.00 0.00 H new ATOM 0 HB3 PHE A 4 14.527 -5.168 -0.884 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.718 -3.024 -1.956 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.318 -4.025 1.302 1.00 0.00 H new ATOM 0 HE1 PHE A 4 11.206 -0.864 -0.878 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.783 -1.869 2.381 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.224 -0.294 1.294 1.00 0.00 H new ATOM 82 N ASN A 5 13.432 -7.724 -3.595 1.00 0.00 N ATOM 83 CA ASN A 5 14.131 -8.950 -4.068 1.00 0.00 C ATOM 84 C ASN A 5 15.238 -8.697 -5.143 1.00 0.00 C ATOM 85 O ASN A 5 14.928 -8.339 -6.285 1.00 0.00 O ATOM 86 CB ASN A 5 13.038 -9.906 -4.636 1.00 0.00 C ATOM 87 CG ASN A 5 11.954 -10.351 -3.647 1.00 0.00 C ATOM 88 OD1 ASN A 5 11.017 -9.627 -3.334 1.00 0.00 O ATOM 89 ND2 ASN A 5 12.095 -11.505 -3.061 1.00 0.00 N ATOM 0 H ASN A 5 12.429 -7.748 -3.780 1.00 0.00 H new ATOM 0 HA ASN A 5 14.665 -9.380 -3.221 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.553 -9.412 -5.478 1.00 0.00 H new ATOM 0 HB3 ASN A 5 13.530 -10.795 -5.029 1.00 0.00 H new ATOM 0 HD21 ASN A 5 11.428 -11.800 -2.348 1.00 0.00 H new ATOM 0 HD22 ASN A 5 12.872 -12.115 -3.315 1.00 0.00 H new ATOM 96 N GLY A 6 16.520 -8.894 -4.785 1.00 0.00 N ATOM 97 CA GLY A 6 17.633 -8.661 -5.739 1.00 0.00 C ATOM 98 C GLY A 6 19.046 -8.575 -5.132 1.00 0.00 C ATOM 99 O GLY A 6 19.250 -8.621 -3.916 1.00 0.00 O ATOM 0 H GLY A 6 16.814 -9.208 -3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 6 17.626 -9.464 -6.476 1.00 0.00 H new ATOM 0 HA3 GLY A 6 17.435 -7.734 -6.276 1.00 0.00 H new ATOM 103 N TYR A 7 20.026 -8.423 -6.033 1.00 0.00 N ATOM 104 CA TYR A 7 21.449 -8.188 -5.666 1.00 0.00 C ATOM 105 C TYR A 7 21.816 -6.708 -5.999 1.00 0.00 C ATOM 106 O TYR A 7 21.678 -6.257 -7.143 1.00 0.00 O ATOM 107 CB TYR A 7 22.330 -9.226 -6.419 1.00 0.00 C ATOM 108 CG TYR A 7 23.709 -9.521 -5.801 1.00 0.00 C ATOM 109 CD1 TYR A 7 24.757 -8.597 -5.894 1.00 0.00 C ATOM 110 CD2 TYR A 7 23.946 -10.758 -5.194 1.00 0.00 C ATOM 111 CE1 TYR A 7 26.018 -8.912 -5.393 1.00 0.00 C ATOM 112 CE2 TYR A 7 25.203 -11.064 -4.675 1.00 0.00 C ATOM 113 CZ TYR A 7 26.238 -10.138 -4.776 1.00 0.00 C ATOM 114 OH TYR A 7 27.479 -10.431 -4.279 1.00 0.00 O ATOM 0 H TYR A 7 19.865 -8.458 -7.040 1.00 0.00 H new ATOM 0 HA TYR A 7 21.624 -8.327 -4.599 1.00 0.00 H new ATOM 0 HB2 TYR A 7 21.776 -10.163 -6.484 1.00 0.00 H new ATOM 0 HB3 TYR A 7 22.480 -8.873 -7.439 1.00 0.00 H new ATOM 0 HD1 TYR A 7 24.587 -7.636 -6.356 1.00 0.00 H new ATOM 0 HD2 TYR A 7 23.148 -11.483 -5.127 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.827 -8.202 -5.484 1.00 0.00 H new ATOM 0 HE2 TYR A 7 25.374 -12.017 -4.196 1.00 0.00 H new ATOM 0 HH TYR A 7 27.468 -11.325 -3.878 1.00 0.00 H new ATOM 124 N TRP A 8 22.267 -5.959 -4.985 1.00 0.00 N ATOM 125 CA TRP A 8 22.396 -4.481 -5.054 1.00 0.00 C ATOM 126 C TRP A 8 23.886 -4.085 -4.805 1.00 0.00 C ATOM 127 O TRP A 8 24.441 -4.366 -3.737 1.00 0.00 O ATOM 128 CB TRP A 8 21.459 -3.856 -3.977 1.00 0.00 C ATOM 129 CG TRP A 8 19.952 -4.170 -4.070 1.00 0.00 C ATOM 130 CD1 TRP A 8 19.280 -5.236 -3.424 1.00 0.00 C ATOM 131 CD2 TRP A 8 18.969 -3.481 -4.753 1.00 0.00 C ATOM 132 NE1 TRP A 8 17.903 -5.238 -3.706 1.00 0.00 N ATOM 133 CE2 TRP A 8 17.730 -4.132 -4.516 1.00 0.00 C ATOM 134 CE3 TRP A 8 19.023 -2.309 -5.547 1.00 0.00 C ATOM 135 CZ2 TRP A 8 16.537 -3.609 -5.061 1.00 0.00 C ATOM 136 CZ3 TRP A 8 17.829 -1.807 -6.067 1.00 0.00 C ATOM 137 CH2 TRP A 8 16.608 -2.447 -5.833 1.00 0.00 C ATOM 0 H TRP A 8 22.555 -6.352 -4.089 1.00 0.00 H new ATOM 0 HA TRP A 8 22.105 -4.108 -6.036 1.00 0.00 H new ATOM 0 HB2 TRP A 8 21.810 -4.181 -2.998 1.00 0.00 H new ATOM 0 HB3 TRP A 8 21.579 -2.773 -4.015 1.00 0.00 H new ATOM 0 HD1 TRP A 8 19.768 -5.961 -2.790 1.00 0.00 H new ATOM 0 HE1 TRP A 8 17.196 -5.901 -3.387 1.00 0.00 H new ATOM 0 HE3 TRP A 8 19.964 -1.817 -5.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.590 -4.097 -4.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 17.849 -0.906 -6.662 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.704 -2.036 -6.257 1.00 0.00 H new ATOM 148 N LYS A 9 24.532 -3.412 -5.773 1.00 0.00 N ATOM 149 CA LYS A 9 25.937 -2.924 -5.621 1.00 0.00 C ATOM 150 C LYS A 9 26.011 -1.499 -4.999 1.00 0.00 C ATOM 151 O LYS A 9 25.253 -0.610 -5.396 1.00 0.00 O ATOM 152 CB LYS A 9 26.717 -3.019 -6.961 1.00 0.00 C ATOM 153 CG LYS A 9 26.311 -2.046 -8.101 1.00 0.00 C ATOM 154 CD LYS A 9 27.251 -2.104 -9.318 1.00 0.00 C ATOM 155 CE LYS A 9 26.743 -1.228 -10.473 1.00 0.00 C ATOM 156 NZ LYS A 9 27.656 -1.335 -11.627 1.00 0.00 N ATOM 0 H LYS A 9 24.113 -3.187 -6.675 1.00 0.00 H new ATOM 0 HA LYS A 9 26.428 -3.589 -4.910 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.774 -2.862 -6.746 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.616 -4.037 -7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.296 -2.279 -8.424 1.00 0.00 H new ATOM 0 HG3 LYS A 9 26.295 -1.028 -7.711 1.00 0.00 H new ATOM 0 HD2 LYS A 9 28.248 -1.775 -9.024 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.343 -3.136 -9.657 1.00 0.00 H new ATOM 0 HE2 LYS A 9 25.740 -1.540 -10.763 1.00 0.00 H new ATOM 0 HE3 LYS A 9 26.673 -0.190 -10.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 27.305 -0.739 -12.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 28.606 -1.017 -11.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.701 -2.325 -11.943 1.00 0.00 H new ATOM 169 N MET A 10 26.933 -1.273 -4.048 1.00 0.00 N ATOM 170 CA MET A 10 27.099 0.057 -3.400 1.00 0.00 C ATOM 171 C MET A 10 27.860 1.067 -4.316 1.00 0.00 C ATOM 172 O MET A 10 28.996 0.836 -4.739 1.00 0.00 O ATOM 173 CB MET A 10 27.809 -0.160 -2.045 1.00 0.00 C ATOM 174 CG MET A 10 27.886 1.096 -1.155 1.00 0.00 C ATOM 175 SD MET A 10 28.743 0.700 0.374 1.00 0.00 S ATOM 176 CE MET A 10 27.429 -0.105 1.297 1.00 0.00 C ATOM 0 H MET A 10 27.577 -1.986 -3.706 1.00 0.00 H new ATOM 0 HA MET A 10 26.122 0.510 -3.231 1.00 0.00 H new ATOM 0 HB2 MET A 10 27.288 -0.946 -1.498 1.00 0.00 H new ATOM 0 HB3 MET A 10 28.821 -0.519 -2.233 1.00 0.00 H new ATOM 0 HG2 MET A 10 28.409 1.895 -1.681 1.00 0.00 H new ATOM 0 HG3 MET A 10 26.883 1.462 -0.937 1.00 0.00 H new ATOM 0 HE1 MET A 10 27.718 -0.187 2.345 1.00 0.00 H new ATOM 0 HE2 MET A 10 26.515 0.484 1.218 1.00 0.00 H new ATOM 0 HE3 MET A 10 27.256 -1.101 0.889 1.00 0.00 H new ATOM 186 N LEU A 11 27.210 2.207 -4.575 1.00 0.00 N ATOM 187 CA LEU A 11 27.807 3.337 -5.337 1.00 0.00 C ATOM 188 C LEU A 11 28.523 4.359 -4.393 1.00 0.00 C ATOM 189 O LEU A 11 29.729 4.581 -4.533 1.00 0.00 O ATOM 190 CB LEU A 11 26.714 4.012 -6.222 1.00 0.00 C ATOM 191 CG LEU A 11 25.971 3.170 -7.293 1.00 0.00 C ATOM 192 CD1 LEU A 11 24.963 4.074 -8.022 1.00 0.00 C ATOM 193 CD2 LEU A 11 26.905 2.516 -8.325 1.00 0.00 C ATOM 0 H LEU A 11 26.254 2.384 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 11 28.582 2.945 -5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 11 25.961 4.426 -5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 11 27.182 4.853 -6.734 1.00 0.00 H new ATOM 0 HG LEU A 11 25.473 2.355 -6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 11 24.434 3.494 -8.778 1.00 0.00 H new ATOM 0 HD12 LEU A 11 24.247 4.473 -7.304 1.00 0.00 H new ATOM 0 HD13 LEU A 11 25.493 4.897 -8.502 1.00 0.00 H new ATOM 0 HD21 LEU A 11 26.314 1.945 -9.040 1.00 0.00 H new ATOM 0 HD22 LEU A 11 27.464 3.290 -8.852 1.00 0.00 H new ATOM 0 HD23 LEU A 11 27.601 1.850 -7.815 1.00 0.00 H new ATOM 205 N SER A 12 27.793 4.979 -3.442 1.00 0.00 N ATOM 206 CA SER A 12 28.379 5.916 -2.446 1.00 0.00 C ATOM 207 C SER A 12 27.932 5.539 -1.006 1.00 0.00 C ATOM 208 O SER A 12 26.740 5.558 -0.685 1.00 0.00 O ATOM 209 CB SER A 12 28.063 7.385 -2.812 1.00 0.00 C ATOM 210 OG SER A 12 26.664 7.641 -2.923 1.00 0.00 O ATOM 0 H SER A 12 26.787 4.849 -3.339 1.00 0.00 H new ATOM 0 HA SER A 12 29.465 5.821 -2.471 1.00 0.00 H new ATOM 0 HB2 SER A 12 28.488 8.043 -2.054 1.00 0.00 H new ATOM 0 HB3 SER A 12 28.548 7.631 -3.756 1.00 0.00 H new ATOM 0 HG SER A 12 26.170 7.002 -2.368 1.00 0.00 H new ATOM 216 N ASN A 13 28.906 5.218 -0.137 1.00 0.00 N ATOM 217 CA ASN A 13 28.695 5.145 1.337 1.00 0.00 C ATOM 218 C ASN A 13 29.173 6.475 2.007 1.00 0.00 C ATOM 219 O ASN A 13 30.357 6.654 2.306 1.00 0.00 O ATOM 220 CB ASN A 13 29.293 3.832 1.931 1.00 0.00 C ATOM 221 CG ASN A 13 30.727 3.342 1.645 1.00 0.00 C ATOM 222 OD1 ASN A 13 31.708 4.190 1.468 1.00 0.00 O flip ATOM 223 ND2 ASN A 13 30.986 2.144 1.607 1.00 0.00 N flip ATOM 0 H ASN A 13 29.860 5.001 -0.425 1.00 0.00 H new ATOM 0 HA ASN A 13 27.632 5.071 1.567 1.00 0.00 H new ATOM 0 HB2 ASN A 13 29.210 3.920 3.014 1.00 0.00 H new ATOM 0 HB3 ASN A 13 28.627 3.026 1.624 1.00 0.00 H new ATOM 0 HD21 ASN A 13 30.244 1.457 1.741 1.00 0.00 H new ATOM 0 HD22 ASN A 13 31.944 1.834 1.441 1.00 0.00 H new ATOM 230 N GLU A 14 28.241 7.425 2.195 1.00 0.00 N ATOM 231 CA GLU A 14 28.557 8.822 2.595 1.00 0.00 C ATOM 232 C GLU A 14 28.394 8.998 4.136 1.00 0.00 C ATOM 233 O GLU A 14 27.340 8.685 4.699 1.00 0.00 O ATOM 234 CB GLU A 14 27.613 9.737 1.768 1.00 0.00 C ATOM 235 CG GLU A 14 27.848 11.258 1.939 1.00 0.00 C ATOM 236 CD GLU A 14 26.845 12.111 1.166 1.00 0.00 C ATOM 237 OE1 GLU A 14 25.736 12.415 1.593 1.00 0.00 O ATOM 238 OE2 GLU A 14 27.320 12.500 -0.050 1.00 0.00 O ATOM 0 H GLU A 14 27.243 7.253 2.076 1.00 0.00 H new ATOM 0 HA GLU A 14 29.593 9.088 2.386 1.00 0.00 H new ATOM 0 HB2 GLU A 14 27.723 9.486 0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 14 26.583 9.512 2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 14 27.791 11.511 2.998 1.00 0.00 H new ATOM 0 HG3 GLU A 14 28.857 11.503 1.606 1.00 0.00 H new ATOM 246 N ASN A 15 29.450 9.484 4.823 1.00 0.00 N ATOM 247 CA ASN A 15 29.506 9.549 6.325 1.00 0.00 C ATOM 248 C ASN A 15 29.505 8.172 7.106 1.00 0.00 C ATOM 249 O ASN A 15 29.326 8.143 8.328 1.00 0.00 O ATOM 250 CB ASN A 15 28.479 10.619 6.817 1.00 0.00 C ATOM 251 CG ASN A 15 28.708 11.214 8.205 1.00 0.00 C ATOM 252 OD1 ASN A 15 29.829 11.497 8.620 1.00 0.00 O ATOM 253 ND2 ASN A 15 27.661 11.468 8.953 1.00 0.00 N ATOM 0 H ASN A 15 30.290 9.844 4.369 1.00 0.00 H new ATOM 0 HA ASN A 15 30.508 9.878 6.599 1.00 0.00 H new ATOM 0 HB2 ASN A 15 28.470 11.436 6.096 1.00 0.00 H new ATOM 0 HB3 ASN A 15 27.487 10.168 6.801 1.00 0.00 H new ATOM 0 HD21 ASN A 15 27.782 11.897 9.871 1.00 0.00 H new ATOM 0 HD22 ASN A 15 26.726 11.237 8.617 1.00 0.00 H new ATOM 260 N PHE A 16 29.775 7.039 6.421 1.00 0.00 N ATOM 261 CA PHE A 16 29.807 5.673 7.027 1.00 0.00 C ATOM 262 C PHE A 16 30.863 5.443 8.160 1.00 0.00 C ATOM 263 O PHE A 16 30.521 4.859 9.192 1.00 0.00 O ATOM 264 CB PHE A 16 29.914 4.674 5.836 1.00 0.00 C ATOM 265 CG PHE A 16 29.788 3.157 6.108 1.00 0.00 C ATOM 266 CD1 PHE A 16 28.895 2.637 7.056 1.00 0.00 C ATOM 267 CD2 PHE A 16 30.534 2.270 5.322 1.00 0.00 C ATOM 268 CE1 PHE A 16 28.777 1.261 7.235 1.00 0.00 C ATOM 269 CE2 PHE A 16 30.399 0.894 5.486 1.00 0.00 C ATOM 270 CZ PHE A 16 29.525 0.391 6.446 1.00 0.00 C ATOM 0 H PHE A 16 29.980 7.038 5.422 1.00 0.00 H new ATOM 0 HA PHE A 16 28.890 5.513 7.594 1.00 0.00 H new ATOM 0 HB2 PHE A 16 29.144 4.942 5.113 1.00 0.00 H new ATOM 0 HB3 PHE A 16 30.877 4.842 5.353 1.00 0.00 H new ATOM 0 HD1 PHE A 16 28.294 3.309 7.652 1.00 0.00 H new ATOM 0 HD2 PHE A 16 31.220 2.656 4.583 1.00 0.00 H new ATOM 0 HE1 PHE A 16 28.106 0.869 7.985 1.00 0.00 H new ATOM 0 HE2 PHE A 16 30.972 0.217 4.869 1.00 0.00 H new ATOM 0 HZ PHE A 16 29.427 -0.676 6.579 1.00 0.00 H new ATOM 280 N GLU A 17 32.096 5.965 8.012 1.00 0.00 N ATOM 281 CA GLU A 17 33.095 6.066 9.116 1.00 0.00 C ATOM 282 C GLU A 17 32.582 6.742 10.434 1.00 0.00 C ATOM 283 O GLU A 17 32.849 6.211 11.512 1.00 0.00 O ATOM 284 CB GLU A 17 34.390 6.795 8.640 1.00 0.00 C ATOM 285 CG GLU A 17 35.096 6.284 7.357 1.00 0.00 C ATOM 286 CD GLU A 17 34.624 6.980 6.076 1.00 0.00 C ATOM 287 OE1 GLU A 17 33.503 6.815 5.596 1.00 0.00 O ATOM 288 OE2 GLU A 17 35.577 7.800 5.539 1.00 0.00 O ATOM 0 H GLU A 17 32.437 6.332 7.124 1.00 0.00 H new ATOM 0 HA GLU A 17 33.304 5.027 9.371 1.00 0.00 H new ATOM 0 HB2 GLU A 17 34.142 7.845 8.486 1.00 0.00 H new ATOM 0 HB3 GLU A 17 35.113 6.754 9.455 1.00 0.00 H new ATOM 0 HG2 GLU A 17 36.171 6.427 7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 17 34.925 5.212 7.261 1.00 0.00 H new ATOM 296 N GLU A 18 31.856 7.876 10.358 1.00 0.00 N ATOM 297 CA GLU A 18 31.229 8.517 11.551 1.00 0.00 C ATOM 298 C GLU A 18 30.038 7.716 12.194 1.00 0.00 C ATOM 299 O GLU A 18 29.974 7.626 13.422 1.00 0.00 O ATOM 300 CB GLU A 18 30.841 9.973 11.171 1.00 0.00 C ATOM 301 CG GLU A 18 30.757 10.930 12.389 1.00 0.00 C ATOM 302 CD GLU A 18 30.074 12.296 12.242 1.00 0.00 C ATOM 303 OE1 GLU A 18 29.710 12.947 13.216 1.00 0.00 O ATOM 304 OE2 GLU A 18 29.911 12.709 10.948 1.00 0.00 O ATOM 0 H GLU A 18 31.684 8.374 9.485 1.00 0.00 H new ATOM 0 HA GLU A 18 31.969 8.519 12.352 1.00 0.00 H new ATOM 0 HB2 GLU A 18 31.573 10.362 10.463 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.878 9.962 10.661 1.00 0.00 H new ATOM 0 HG2 GLU A 18 30.244 10.395 13.188 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.776 11.112 12.730 1.00 0.00 H new ATOM 312 N TYR A 19 29.122 7.114 11.399 1.00 0.00 N ATOM 313 CA TYR A 19 28.157 6.081 11.900 1.00 0.00 C ATOM 314 C TYR A 19 28.829 4.855 12.612 1.00 0.00 C ATOM 315 O TYR A 19 28.424 4.504 13.721 1.00 0.00 O ATOM 316 CB TYR A 19 27.201 5.701 10.729 1.00 0.00 C ATOM 317 CG TYR A 19 26.294 4.465 10.920 1.00 0.00 C ATOM 318 CD1 TYR A 19 25.045 4.557 11.539 1.00 0.00 C ATOM 319 CD2 TYR A 19 26.752 3.215 10.484 1.00 0.00 C ATOM 320 CE1 TYR A 19 24.274 3.409 11.731 1.00 0.00 C ATOM 321 CE2 TYR A 19 25.979 2.073 10.677 1.00 0.00 C ATOM 322 CZ TYR A 19 24.737 2.172 11.292 1.00 0.00 C ATOM 323 OH TYR A 19 23.957 1.057 11.459 1.00 0.00 O ATOM 0 H TYR A 19 29.023 7.320 10.405 1.00 0.00 H new ATOM 0 HA TYR A 19 27.569 6.513 12.710 1.00 0.00 H new ATOM 0 HB2 TYR A 19 26.561 6.559 10.526 1.00 0.00 H new ATOM 0 HB3 TYR A 19 27.808 5.538 9.839 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.676 5.517 11.869 1.00 0.00 H new ATOM 0 HD2 TYR A 19 27.712 3.136 9.995 1.00 0.00 H new ATOM 0 HE1 TYR A 19 23.315 3.481 12.222 1.00 0.00 H new ATOM 0 HE2 TYR A 19 26.345 1.111 10.349 1.00 0.00 H new ATOM 0 HH TYR A 19 24.424 0.274 11.098 1.00 0.00 H new ATOM 333 N LEU A 20 29.851 4.227 12.004 1.00 0.00 N ATOM 334 CA LEU A 20 30.675 3.187 12.680 1.00 0.00 C ATOM 335 C LEU A 20 31.448 3.679 13.961 1.00 0.00 C ATOM 336 O LEU A 20 31.426 2.970 14.969 1.00 0.00 O ATOM 337 CB LEU A 20 31.593 2.522 11.616 1.00 0.00 C ATOM 338 CG LEU A 20 30.937 1.668 10.494 1.00 0.00 C ATOM 339 CD1 LEU A 20 31.992 1.273 9.446 1.00 0.00 C ATOM 340 CD2 LEU A 20 30.259 0.391 11.023 1.00 0.00 C ATOM 0 H LEU A 20 30.133 4.417 11.042 1.00 0.00 H new ATOM 0 HA LEU A 20 29.999 2.440 13.096 1.00 0.00 H new ATOM 0 HB2 LEU A 20 32.169 3.313 11.136 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.303 1.886 12.144 1.00 0.00 H new ATOM 0 HG LEU A 20 30.162 2.292 10.048 1.00 0.00 H new ATOM 0 HD11 LEU A 20 31.523 0.675 8.665 1.00 0.00 H new ATOM 0 HD12 LEU A 20 32.422 2.173 9.006 1.00 0.00 H new ATOM 0 HD13 LEU A 20 32.780 0.691 9.924 1.00 0.00 H new ATOM 0 HD21 LEU A 20 29.821 -0.160 10.191 1.00 0.00 H new ATOM 0 HD22 LEU A 20 30.999 -0.234 11.522 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.476 0.662 11.731 1.00 0.00 H new ATOM 352 N ARG A 21 32.044 4.893 13.986 1.00 0.00 N ATOM 353 CA ARG A 21 32.509 5.558 15.249 1.00 0.00 C ATOM 354 C ARG A 21 31.427 5.705 16.378 1.00 0.00 C ATOM 355 O ARG A 21 31.668 5.296 17.516 1.00 0.00 O ATOM 356 CB ARG A 21 33.102 6.945 14.880 1.00 0.00 C ATOM 357 CG ARG A 21 33.978 7.603 15.978 1.00 0.00 C ATOM 358 CD ARG A 21 34.367 9.061 15.669 1.00 0.00 C ATOM 359 NE ARG A 21 33.207 9.976 15.842 1.00 0.00 N ATOM 360 CZ ARG A 21 33.159 11.239 15.428 1.00 0.00 C ATOM 361 NH1 ARG A 21 34.135 11.850 14.790 1.00 0.00 N ATOM 362 NH2 ARG A 21 32.069 11.914 15.668 1.00 0.00 N ATOM 0 H ARG A 21 32.220 5.444 13.146 1.00 0.00 H new ATOM 0 HA ARG A 21 33.258 4.898 15.686 1.00 0.00 H new ATOM 0 HB2 ARG A 21 33.701 6.837 13.976 1.00 0.00 H new ATOM 0 HB3 ARG A 21 32.281 7.621 14.639 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.440 7.573 16.926 1.00 0.00 H new ATOM 0 HG3 ARG A 21 34.886 7.014 16.108 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.179 9.371 16.327 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.740 9.132 14.647 1.00 0.00 H new ATOM 0 HE ARG A 21 32.383 9.605 16.316 1.00 0.00 H new ATOM 0 HH11 ARG A 21 35.000 11.351 14.583 1.00 0.00 H new ATOM 0 HH12 ARG A 21 34.026 12.823 14.503 1.00 0.00 H new ATOM 0 HH21 ARG A 21 31.292 11.470 16.158 1.00 0.00 H new ATOM 0 HH22 ARG A 21 31.994 12.885 15.366 1.00 0.00 H new ATOM 376 N ALA A 22 30.232 6.232 16.049 1.00 0.00 N ATOM 377 CA ALA A 22 29.023 6.147 16.914 1.00 0.00 C ATOM 378 C ALA A 22 28.504 4.726 17.335 1.00 0.00 C ATOM 379 O ALA A 22 27.738 4.623 18.295 1.00 0.00 O ATOM 380 CB ALA A 22 27.940 6.929 16.147 1.00 0.00 C ATOM 0 H ALA A 22 30.070 6.732 15.175 1.00 0.00 H new ATOM 0 HA ALA A 22 29.289 6.556 17.889 1.00 0.00 H new ATOM 0 HB1 ALA A 22 27.011 6.917 16.716 1.00 0.00 H new ATOM 0 HB2 ALA A 22 28.266 7.960 16.007 1.00 0.00 H new ATOM 0 HB3 ALA A 22 27.776 6.465 15.175 1.00 0.00 H new ATOM 386 N LEU A 23 28.943 3.647 16.663 1.00 0.00 N ATOM 387 CA LEU A 23 28.813 2.253 17.166 1.00 0.00 C ATOM 388 C LEU A 23 30.103 1.667 17.854 1.00 0.00 C ATOM 389 O LEU A 23 30.248 0.445 17.929 1.00 0.00 O ATOM 390 CB LEU A 23 28.355 1.393 15.954 1.00 0.00 C ATOM 391 CG LEU A 23 26.983 1.707 15.304 1.00 0.00 C ATOM 392 CD1 LEU A 23 26.751 0.789 14.093 1.00 0.00 C ATOM 393 CD2 LEU A 23 25.814 1.574 16.291 1.00 0.00 C ATOM 0 H LEU A 23 29.400 3.709 15.753 1.00 0.00 H new ATOM 0 HA LEU A 23 28.084 2.239 17.977 1.00 0.00 H new ATOM 0 HB2 LEU A 23 29.117 1.479 15.179 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.341 0.351 16.273 1.00 0.00 H new ATOM 0 HG LEU A 23 27.015 2.748 14.982 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.785 1.017 13.643 1.00 0.00 H new ATOM 0 HD12 LEU A 23 27.540 0.949 13.358 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.763 -0.251 14.418 1.00 0.00 H new ATOM 0 HD21 LEU A 23 24.879 1.805 15.781 1.00 0.00 H new ATOM 0 HD22 LEU A 23 25.776 0.554 16.674 1.00 0.00 H new ATOM 0 HD23 LEU A 23 25.957 2.268 17.120 1.00 0.00 H new ATOM 405 N ASP A 24 31.028 2.500 18.381 1.00 0.00 N ATOM 406 CA ASP A 24 32.299 2.051 19.054 1.00 0.00 C ATOM 407 C ASP A 24 33.413 1.401 18.146 1.00 0.00 C ATOM 408 O ASP A 24 34.356 0.796 18.667 1.00 0.00 O ATOM 409 CB ASP A 24 32.034 1.185 20.329 1.00 0.00 C ATOM 410 CG ASP A 24 31.222 1.802 21.464 1.00 0.00 C ATOM 411 OD1 ASP A 24 31.114 3.011 21.657 1.00 0.00 O ATOM 412 OD2 ASP A 24 30.648 0.846 22.254 1.00 0.00 O ATOM 0 H ASP A 24 30.926 3.515 18.358 1.00 0.00 H new ATOM 0 HA ASP A 24 32.737 3.004 19.350 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.526 0.274 20.013 1.00 0.00 H new ATOM 0 HB3 ASP A 24 33.000 0.886 20.735 1.00 0.00 H new ATOM 418 N VAL A 25 33.355 1.535 16.810 1.00 0.00 N ATOM 419 CA VAL A 25 34.246 0.780 15.875 1.00 0.00 C ATOM 420 C VAL A 25 35.589 1.566 15.642 1.00 0.00 C ATOM 421 O VAL A 25 35.618 2.796 15.537 1.00 0.00 O ATOM 422 CB VAL A 25 33.453 0.437 14.564 1.00 0.00 C ATOM 423 CG1 VAL A 25 34.282 -0.337 13.516 1.00 0.00 C ATOM 424 CG2 VAL A 25 32.145 -0.373 14.794 1.00 0.00 C ATOM 0 H VAL A 25 32.701 2.160 16.339 1.00 0.00 H new ATOM 0 HA VAL A 25 34.546 -0.174 16.310 1.00 0.00 H new ATOM 0 HB VAL A 25 33.205 1.430 14.188 1.00 0.00 H new ATOM 0 HG11 VAL A 25 33.665 -0.537 12.640 1.00 0.00 H new ATOM 0 HG12 VAL A 25 35.146 0.259 13.223 1.00 0.00 H new ATOM 0 HG13 VAL A 25 34.620 -1.281 13.944 1.00 0.00 H new ATOM 0 HG21 VAL A 25 31.663 -0.565 13.836 1.00 0.00 H new ATOM 0 HG22 VAL A 25 32.384 -1.321 15.276 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.470 0.199 15.431 1.00 0.00 H new ATOM 434 N ASN A 26 36.713 0.836 15.550 1.00 0.00 N ATOM 435 CA ASN A 26 38.075 1.420 15.392 1.00 0.00 C ATOM 436 C ASN A 26 38.401 2.014 13.977 1.00 0.00 C ATOM 437 O ASN A 26 37.851 1.578 12.962 1.00 0.00 O ATOM 438 CB ASN A 26 39.091 0.324 15.836 1.00 0.00 C ATOM 439 CG ASN A 26 39.049 -1.029 15.101 1.00 0.00 C ATOM 440 OD1 ASN A 26 38.243 -1.904 15.394 1.00 0.00 O ATOM 441 ND2 ASN A 26 39.881 -1.231 14.117 1.00 0.00 N ATOM 0 H ASN A 26 36.713 -0.183 15.582 1.00 0.00 H new ATOM 0 HA ASN A 26 38.142 2.306 16.024 1.00 0.00 H new ATOM 0 HB2 ASN A 26 40.095 0.734 15.728 1.00 0.00 H new ATOM 0 HB3 ASN A 26 38.937 0.134 16.898 1.00 0.00 H new ATOM 0 HD21 ASN A 26 39.856 -2.110 13.600 1.00 0.00 H new ATOM 0 HD22 ASN A 26 40.556 -0.510 13.864 1.00 0.00 H new ATOM 448 N VAL A 27 39.350 2.976 13.915 1.00 0.00 N ATOM 449 CA VAL A 27 39.761 3.687 12.649 1.00 0.00 C ATOM 450 C VAL A 27 40.119 2.760 11.432 1.00 0.00 C ATOM 451 O VAL A 27 39.647 3.016 10.320 1.00 0.00 O ATOM 452 CB VAL A 27 40.883 4.752 12.953 1.00 0.00 C ATOM 453 CG1 VAL A 27 41.384 5.525 11.704 1.00 0.00 C ATOM 454 CG2 VAL A 27 40.462 5.840 13.971 1.00 0.00 C ATOM 0 H VAL A 27 39.864 3.293 14.737 1.00 0.00 H new ATOM 0 HA VAL A 27 38.866 4.204 12.304 1.00 0.00 H new ATOM 0 HB VAL A 27 41.674 4.123 13.360 1.00 0.00 H new ATOM 0 HG11 VAL A 27 42.154 6.237 12.001 1.00 0.00 H new ATOM 0 HG12 VAL A 27 41.800 4.821 10.983 1.00 0.00 H new ATOM 0 HG13 VAL A 27 40.551 6.061 11.249 1.00 0.00 H new ATOM 0 HG21 VAL A 27 41.289 6.533 14.125 1.00 0.00 H new ATOM 0 HG22 VAL A 27 39.599 6.384 13.586 1.00 0.00 H new ATOM 0 HG23 VAL A 27 40.201 5.370 14.919 1.00 0.00 H new ATOM 464 N ALA A 28 40.916 1.693 11.633 1.00 0.00 N ATOM 465 CA ALA A 28 41.200 0.690 10.570 1.00 0.00 C ATOM 466 C ALA A 28 39.950 -0.059 10.002 1.00 0.00 C ATOM 467 O ALA A 28 39.770 -0.070 8.786 1.00 0.00 O ATOM 468 CB ALA A 28 42.291 -0.262 11.095 1.00 0.00 C ATOM 0 H ALA A 28 41.379 1.497 12.521 1.00 0.00 H new ATOM 0 HA ALA A 28 41.558 1.228 9.692 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.519 -1.009 10.334 1.00 0.00 H new ATOM 0 HB2 ALA A 28 43.191 0.308 11.325 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.936 -0.760 11.997 1.00 0.00 H new ATOM 474 N LEU A 29 39.060 -0.615 10.845 1.00 0.00 N ATOM 475 CA LEU A 29 37.754 -1.183 10.391 1.00 0.00 C ATOM 476 C LEU A 29 36.759 -0.131 9.780 1.00 0.00 C ATOM 477 O LEU A 29 36.214 -0.382 8.702 1.00 0.00 O ATOM 478 CB LEU A 29 37.157 -2.015 11.564 1.00 0.00 C ATOM 479 CG LEU A 29 36.293 -3.247 11.190 1.00 0.00 C ATOM 480 CD1 LEU A 29 35.913 -4.019 12.463 1.00 0.00 C ATOM 481 CD2 LEU A 29 35.017 -2.925 10.390 1.00 0.00 C ATOM 0 H LEU A 29 39.213 -0.688 11.851 1.00 0.00 H new ATOM 0 HA LEU A 29 37.936 -1.839 9.540 1.00 0.00 H new ATOM 0 HB2 LEU A 29 37.981 -2.358 12.189 1.00 0.00 H new ATOM 0 HB3 LEU A 29 36.549 -1.349 12.176 1.00 0.00 H new ATOM 0 HG LEU A 29 36.916 -3.849 10.529 1.00 0.00 H new ATOM 0 HD11 LEU A 29 35.306 -4.884 12.196 1.00 0.00 H new ATOM 0 HD12 LEU A 29 36.818 -4.353 12.970 1.00 0.00 H new ATOM 0 HD13 LEU A 29 35.345 -3.368 13.127 1.00 0.00 H new ATOM 0 HD21 LEU A 29 34.479 -3.849 10.175 1.00 0.00 H new ATOM 0 HD22 LEU A 29 34.379 -2.261 10.974 1.00 0.00 H new ATOM 0 HD23 LEU A 29 35.288 -2.437 9.454 1.00 0.00 H new ATOM 493 N ARG A 30 36.579 1.057 10.400 1.00 0.00 N ATOM 494 CA ARG A 30 35.924 2.243 9.760 1.00 0.00 C ATOM 495 C ARG A 30 36.382 2.572 8.294 1.00 0.00 C ATOM 496 O ARG A 30 35.544 2.635 7.390 1.00 0.00 O ATOM 497 CB ARG A 30 36.132 3.480 10.683 1.00 0.00 C ATOM 498 CG ARG A 30 35.332 3.537 12.011 1.00 0.00 C ATOM 499 CD ARG A 30 35.775 4.654 12.981 1.00 0.00 C ATOM 500 NE ARG A 30 35.619 6.001 12.377 1.00 0.00 N ATOM 501 CZ ARG A 30 36.227 7.110 12.778 1.00 0.00 C ATOM 502 NH1 ARG A 30 37.087 7.169 13.769 1.00 0.00 N ATOM 503 NH2 ARG A 30 35.932 8.217 12.156 1.00 0.00 N ATOM 0 H ARG A 30 36.880 1.231 11.359 1.00 0.00 H new ATOM 0 HA ARG A 30 34.871 1.984 9.654 1.00 0.00 H new ATOM 0 HB2 ARG A 30 37.192 3.540 10.928 1.00 0.00 H new ATOM 0 HB3 ARG A 30 35.888 4.372 10.107 1.00 0.00 H new ATOM 0 HG2 ARG A 30 34.276 3.674 11.778 1.00 0.00 H new ATOM 0 HG3 ARG A 30 35.425 2.576 12.517 1.00 0.00 H new ATOM 0 HD2 ARG A 30 35.186 4.595 13.896 1.00 0.00 H new ATOM 0 HD3 ARG A 30 36.817 4.500 13.262 1.00 0.00 H new ATOM 0 HE ARG A 30 34.987 6.081 11.581 1.00 0.00 H new ATOM 0 HH11 ARG A 30 37.327 6.324 14.287 1.00 0.00 H new ATOM 0 HH12 ARG A 30 37.515 8.060 14.020 1.00 0.00 H new ATOM 0 HH21 ARG A 30 35.256 8.208 11.392 1.00 0.00 H new ATOM 0 HH22 ARG A 30 36.377 9.092 12.433 1.00 0.00 H new ATOM 517 N LYS A 31 37.699 2.740 8.062 1.00 0.00 N ATOM 518 CA LYS A 31 38.272 2.939 6.701 1.00 0.00 C ATOM 519 C LYS A 31 38.273 1.674 5.780 1.00 0.00 C ATOM 520 O LYS A 31 37.986 1.819 4.591 1.00 0.00 O ATOM 521 CB LYS A 31 39.678 3.592 6.825 1.00 0.00 C ATOM 522 CG LYS A 31 39.728 5.014 7.445 1.00 0.00 C ATOM 523 CD LYS A 31 39.083 6.119 6.581 1.00 0.00 C ATOM 524 CE LYS A 31 38.963 7.450 7.339 1.00 0.00 C ATOM 525 NZ LYS A 31 38.239 8.444 6.522 1.00 0.00 N ATOM 0 H LYS A 31 38.399 2.743 8.804 1.00 0.00 H new ATOM 0 HA LYS A 31 37.598 3.616 6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 31 40.307 2.935 7.426 1.00 0.00 H new ATOM 0 HB3 LYS A 31 40.122 3.637 5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 31 39.228 4.991 8.413 1.00 0.00 H new ATOM 0 HG3 LYS A 31 40.769 5.278 7.630 1.00 0.00 H new ATOM 0 HD2 LYS A 31 39.678 6.268 5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 31 38.093 5.795 6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 31 38.438 7.293 8.282 1.00 0.00 H new ATOM 0 HE3 LYS A 31 39.956 7.826 7.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 38.106 9.316 7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 38.789 8.656 5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 37.311 8.061 6.251 1.00 0.00 H new ATOM 538 N ILE A 32 38.529 0.446 6.281 1.00 0.00 N ATOM 539 CA ILE A 32 38.397 -0.811 5.474 1.00 0.00 C ATOM 540 C ILE A 32 36.921 -1.053 4.990 1.00 0.00 C ATOM 541 O ILE A 32 36.722 -1.235 3.789 1.00 0.00 O ATOM 542 CB ILE A 32 39.106 -2.012 6.212 1.00 0.00 C ATOM 543 CG1 ILE A 32 40.657 -1.845 6.275 1.00 0.00 C ATOM 544 CG2 ILE A 32 38.790 -3.395 5.591 1.00 0.00 C ATOM 545 CD1 ILE A 32 41.373 -2.701 7.338 1.00 0.00 C ATOM 0 H ILE A 32 38.830 0.287 7.242 1.00 0.00 H new ATOM 0 HA ILE A 32 38.938 -0.707 4.533 1.00 0.00 H new ATOM 0 HB ILE A 32 38.692 -1.982 7.220 1.00 0.00 H new ATOM 0 HG12 ILE A 32 41.071 -2.090 5.297 1.00 0.00 H new ATOM 0 HG13 ILE A 32 40.885 -0.796 6.464 1.00 0.00 H new ATOM 0 HG21 ILE A 32 39.311 -4.172 6.150 1.00 0.00 H new ATOM 0 HG22 ILE A 32 37.716 -3.576 5.633 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.120 -3.411 4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 32 42.445 -2.510 7.297 1.00 0.00 H new ATOM 0 HD12 ILE A 32 40.996 -2.443 8.327 1.00 0.00 H new ATOM 0 HD13 ILE A 32 41.185 -3.757 7.142 1.00 0.00 H new ATOM 557 N ALA A 33 35.891 -0.994 5.860 1.00 0.00 N ATOM 558 CA ALA A 33 34.463 -1.008 5.428 1.00 0.00 C ATOM 559 C ALA A 33 33.992 0.102 4.425 1.00 0.00 C ATOM 560 O ALA A 33 33.299 -0.212 3.452 1.00 0.00 O ATOM 561 CB ALA A 33 33.625 -1.040 6.721 1.00 0.00 C ATOM 0 H ALA A 33 36.015 -0.936 6.871 1.00 0.00 H new ATOM 0 HA ALA A 33 34.319 -1.892 4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 33 32.565 -1.051 6.467 1.00 0.00 H new ATOM 0 HB2 ALA A 33 33.871 -1.935 7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 33 33.845 -0.156 7.319 1.00 0.00 H new ATOM 567 N ASN A 34 34.418 1.363 4.617 1.00 0.00 N ATOM 568 CA ASN A 34 34.352 2.428 3.570 1.00 0.00 C ATOM 569 C ASN A 34 35.010 2.106 2.185 1.00 0.00 C ATOM 570 O ASN A 34 34.402 2.386 1.147 1.00 0.00 O ATOM 571 CB ASN A 34 34.884 3.724 4.264 1.00 0.00 C ATOM 572 CG ASN A 34 35.365 4.916 3.423 1.00 0.00 C ATOM 573 OD1 ASN A 34 36.533 5.285 3.446 1.00 0.00 O ATOM 574 ND2 ASN A 34 34.507 5.575 2.687 1.00 0.00 N ATOM 0 H ASN A 34 34.819 1.684 5.498 1.00 0.00 H new ATOM 0 HA ASN A 34 33.321 2.542 3.236 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.090 4.089 4.916 1.00 0.00 H new ATOM 0 HB3 ASN A 34 35.713 3.428 4.907 1.00 0.00 H new ATOM 0 HD21 ASN A 34 34.815 6.382 2.144 1.00 0.00 H new ATOM 0 HD22 ASN A 34 33.531 5.282 2.656 1.00 0.00 H new ATOM 581 N LEU A 35 36.231 1.553 2.174 1.00 0.00 N ATOM 582 CA LEU A 35 36.946 1.190 0.913 1.00 0.00 C ATOM 583 C LEU A 35 36.523 -0.166 0.248 1.00 0.00 C ATOM 584 O LEU A 35 36.783 -0.359 -0.942 1.00 0.00 O ATOM 585 CB LEU A 35 38.479 1.252 1.177 1.00 0.00 C ATOM 586 CG LEU A 35 39.087 2.628 1.580 1.00 0.00 C ATOM 587 CD1 LEU A 35 40.569 2.463 1.956 1.00 0.00 C ATOM 588 CD2 LEU A 35 38.937 3.705 0.491 1.00 0.00 C ATOM 0 H LEU A 35 36.757 1.341 3.022 1.00 0.00 H new ATOM 0 HA LEU A 35 36.647 1.926 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 35 38.713 0.537 1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 35 38.989 0.910 0.276 1.00 0.00 H new ATOM 0 HG LEU A 35 38.518 2.976 2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 35 40.983 3.432 2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 35 40.657 1.774 2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 35 41.119 2.066 1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 35 39.382 4.638 0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 35 39.443 3.377 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 35 37.880 3.864 0.280 1.00 0.00 H new ATOM 600 N LEU A 36 35.862 -1.084 0.977 1.00 0.00 N ATOM 601 CA LEU A 36 35.303 -2.346 0.406 1.00 0.00 C ATOM 602 C LEU A 36 34.023 -2.185 -0.474 1.00 0.00 C ATOM 603 O LEU A 36 33.880 -2.924 -1.450 1.00 0.00 O ATOM 604 CB LEU A 36 35.057 -3.353 1.567 1.00 0.00 C ATOM 605 CG LEU A 36 36.326 -4.052 2.124 1.00 0.00 C ATOM 606 CD1 LEU A 36 36.086 -4.539 3.558 1.00 0.00 C ATOM 607 CD2 LEU A 36 36.777 -5.236 1.248 1.00 0.00 C ATOM 0 H LEU A 36 35.695 -0.982 1.978 1.00 0.00 H new ATOM 0 HA LEU A 36 36.051 -2.719 -0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 36 34.565 -2.826 2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 36 34.364 -4.119 1.220 1.00 0.00 H new ATOM 0 HG LEU A 36 37.123 -3.308 2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 36 36.986 -5.026 3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 36 35.842 -3.689 4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 36 35.259 -5.248 3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 36 37.668 -5.690 1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 36 35.979 -5.977 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 36 37.003 -4.880 0.243 1.00 0.00 H new ATOM 619 N LYS A 37 33.092 -1.273 -0.119 1.00 0.00 N ATOM 620 CA LYS A 37 31.810 -1.039 -0.854 1.00 0.00 C ATOM 621 C LYS A 37 30.857 -2.294 -0.800 1.00 0.00 C ATOM 622 O LYS A 37 30.629 -2.911 -1.849 1.00 0.00 O ATOM 623 CB LYS A 37 32.050 -0.470 -2.290 1.00 0.00 C ATOM 624 CG LYS A 37 32.792 0.883 -2.399 1.00 0.00 C ATOM 625 CD LYS A 37 31.898 2.114 -2.153 1.00 0.00 C ATOM 626 CE LYS A 37 32.704 3.416 -2.281 1.00 0.00 C ATOM 627 NZ LYS A 37 31.800 4.579 -2.279 1.00 0.00 N ATOM 0 H LYS A 37 33.202 -0.667 0.694 1.00 0.00 H new ATOM 0 HA LYS A 37 31.268 -0.253 -0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 37 32.613 -1.211 -2.857 1.00 0.00 H new ATOM 0 HB3 LYS A 37 31.081 -0.364 -2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 37 33.612 0.894 -1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 37 33.236 0.963 -3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 37 31.076 2.119 -2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 37 31.455 2.053 -1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 37 33.412 3.496 -1.456 1.00 0.00 H new ATOM 0 HE3 LYS A 37 33.287 3.402 -3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 32.298 5.407 -2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 30.967 4.372 -2.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 31.495 4.780 -1.305 1.00 0.00 H new ATOM 640 N PRO A 38 30.299 -2.745 0.368 1.00 0.00 N ATOM 641 CA PRO A 38 29.663 -4.085 0.468 1.00 0.00 C ATOM 642 C PRO A 38 28.298 -4.219 -0.280 1.00 0.00 C ATOM 643 O PRO A 38 27.435 -3.340 -0.221 1.00 0.00 O ATOM 644 CB PRO A 38 29.576 -4.300 1.989 1.00 0.00 C ATOM 645 CG PRO A 38 29.535 -2.893 2.585 1.00 0.00 C ATOM 646 CD PRO A 38 30.480 -2.097 1.685 1.00 0.00 C ATOM 0 HA PRO A 38 30.239 -4.859 -0.039 1.00 0.00 H new ATOM 0 HB2 PRO A 38 28.685 -4.868 2.257 1.00 0.00 H new ATOM 0 HB3 PRO A 38 30.435 -4.860 2.358 1.00 0.00 H new ATOM 0 HG2 PRO A 38 28.526 -2.481 2.572 1.00 0.00 H new ATOM 0 HG3 PRO A 38 29.869 -2.887 3.623 1.00 0.00 H new ATOM 0 HD2 PRO A 38 30.216 -1.040 1.656 1.00 0.00 H new ATOM 0 HD3 PRO A 38 31.513 -2.158 2.028 1.00 0.00 H new ATOM 654 N ASP A 39 28.130 -5.327 -1.017 1.00 0.00 N ATOM 655 CA ASP A 39 26.920 -5.546 -1.868 1.00 0.00 C ATOM 656 C ASP A 39 25.751 -6.196 -1.062 1.00 0.00 C ATOM 657 O ASP A 39 25.935 -7.205 -0.380 1.00 0.00 O ATOM 658 CB ASP A 39 27.328 -6.402 -3.094 1.00 0.00 C ATOM 659 CG ASP A 39 28.108 -5.693 -4.210 1.00 0.00 C ATOM 660 OD1 ASP A 39 27.860 -5.854 -5.401 1.00 0.00 O ATOM 661 OD2 ASP A 39 29.080 -4.857 -3.737 1.00 0.00 O ATOM 0 H ASP A 39 28.806 -6.090 -1.050 1.00 0.00 H new ATOM 0 HA ASP A 39 26.541 -4.584 -2.212 1.00 0.00 H new ATOM 0 HB2 ASP A 39 27.930 -7.238 -2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 39 26.422 -6.824 -3.529 1.00 0.00 H new ATOM 667 N LYS A 40 24.538 -5.629 -1.151 1.00 0.00 N ATOM 668 CA LYS A 40 23.355 -6.155 -0.419 1.00 0.00 C ATOM 669 C LYS A 40 22.562 -7.145 -1.321 1.00 0.00 C ATOM 670 O LYS A 40 21.955 -6.742 -2.313 1.00 0.00 O ATOM 671 CB LYS A 40 22.478 -4.987 0.122 1.00 0.00 C ATOM 672 CG LYS A 40 22.984 -4.385 1.455 1.00 0.00 C ATOM 673 CD LYS A 40 22.018 -3.350 2.078 1.00 0.00 C ATOM 674 CE LYS A 40 22.320 -3.003 3.549 1.00 0.00 C ATOM 675 NZ LYS A 40 23.545 -2.199 3.729 1.00 0.00 N ATOM 0 H LYS A 40 24.341 -4.806 -1.720 1.00 0.00 H new ATOM 0 HA LYS A 40 23.689 -6.718 0.453 1.00 0.00 H new ATOM 0 HB2 LYS A 40 22.438 -4.198 -0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 40 21.458 -5.346 0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 40 23.147 -5.192 2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 40 23.950 -3.910 1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 40 22.054 -2.435 1.487 1.00 0.00 H new ATOM 0 HD3 LYS A 40 21.000 -3.734 2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 40 21.473 -2.457 3.966 1.00 0.00 H new ATOM 0 HE3 LYS A 40 22.415 -3.927 4.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 23.686 -2.003 4.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 24.363 -2.725 3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 23.450 -1.301 3.212 1.00 0.00 H new ATOM 688 N GLU A 41 22.543 -8.440 -0.968 1.00 0.00 N ATOM 689 CA GLU A 41 21.573 -9.412 -1.545 1.00 0.00 C ATOM 690 C GLU A 41 20.339 -9.522 -0.598 1.00 0.00 C ATOM 691 O GLU A 41 20.432 -10.048 0.516 1.00 0.00 O ATOM 692 CB GLU A 41 22.282 -10.757 -1.836 1.00 0.00 C ATOM 693 CG GLU A 41 21.411 -11.796 -2.587 1.00 0.00 C ATOM 694 CD GLU A 41 22.103 -13.147 -2.789 1.00 0.00 C ATOM 695 OE1 GLU A 41 22.719 -13.745 -1.911 1.00 0.00 O ATOM 696 OE2 GLU A 41 21.952 -13.621 -4.056 1.00 0.00 O ATOM 0 H GLU A 41 23.184 -8.848 -0.287 1.00 0.00 H new ATOM 0 HA GLU A 41 21.194 -9.070 -2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 41 23.178 -10.560 -2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 41 22.610 -11.192 -0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 41 20.486 -11.951 -2.032 1.00 0.00 H new ATOM 0 HG3 GLU A 41 21.135 -11.390 -3.560 1.00 0.00 H new ATOM 704 N ILE A 42 19.189 -8.991 -1.041 1.00 0.00 N ATOM 705 CA ILE A 42 17.954 -8.928 -0.207 1.00 0.00 C ATOM 706 C ILE A 42 16.992 -10.062 -0.680 1.00 0.00 C ATOM 707 O ILE A 42 16.474 -10.024 -1.802 1.00 0.00 O ATOM 708 CB ILE A 42 17.322 -7.487 -0.218 1.00 0.00 C ATOM 709 CG1 ILE A 42 18.282 -6.419 0.389 1.00 0.00 C ATOM 710 CG2 ILE A 42 15.949 -7.464 0.513 1.00 0.00 C ATOM 711 CD1 ILE A 42 17.850 -4.950 0.248 1.00 0.00 C ATOM 0 H ILE A 42 19.077 -8.595 -1.974 1.00 0.00 H new ATOM 0 HA ILE A 42 18.184 -9.105 0.844 1.00 0.00 H new ATOM 0 HB ILE A 42 17.159 -7.226 -1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.409 -6.637 1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.260 -6.534 -0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.540 -6.454 0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.261 -8.147 0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 42 16.083 -7.775 1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.598 -4.305 0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.755 -4.699 -0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.890 -4.804 0.744 1.00 0.00 H new ATOM 723 N VAL A 43 16.705 -11.028 0.211 1.00 0.00 N ATOM 724 CA VAL A 43 15.621 -12.033 -0.010 1.00 0.00 C ATOM 725 C VAL A 43 14.360 -11.531 0.774 1.00 0.00 C ATOM 726 O VAL A 43 14.230 -11.756 1.981 1.00 0.00 O ATOM 727 CB VAL A 43 16.080 -13.486 0.362 1.00 0.00 C ATOM 728 CG1 VAL A 43 14.986 -14.545 0.089 1.00 0.00 C ATOM 729 CG2 VAL A 43 17.360 -13.959 -0.370 1.00 0.00 C ATOM 0 H VAL A 43 17.202 -11.143 1.094 1.00 0.00 H new ATOM 0 HA VAL A 43 15.366 -12.112 -1.067 1.00 0.00 H new ATOM 0 HB VAL A 43 16.289 -13.409 1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.358 -15.532 0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 43 14.100 -14.313 0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 43 14.728 -14.537 -0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 43 17.606 -14.973 -0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 43 17.190 -13.945 -1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 43 18.187 -13.292 -0.125 1.00 0.00 H new ATOM 739 N GLN A 44 13.448 -10.835 0.073 1.00 0.00 N ATOM 740 CA GLN A 44 12.197 -10.277 0.661 1.00 0.00 C ATOM 741 C GLN A 44 11.009 -11.275 0.472 1.00 0.00 C ATOM 742 O GLN A 44 10.502 -11.444 -0.641 1.00 0.00 O ATOM 743 CB GLN A 44 12.000 -8.885 -0.012 1.00 0.00 C ATOM 744 CG GLN A 44 10.782 -8.019 0.417 1.00 0.00 C ATOM 745 CD GLN A 44 9.378 -8.389 -0.081 1.00 0.00 C ATOM 746 OE1 GLN A 44 8.447 -8.540 0.698 1.00 0.00 O ATOM 747 NE2 GLN A 44 9.137 -8.524 -1.363 1.00 0.00 N ATOM 0 H GLN A 44 13.550 -10.638 -0.923 1.00 0.00 H new ATOM 0 HA GLN A 44 12.251 -10.140 1.741 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.902 -8.300 0.167 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.931 -9.044 -1.088 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.752 -8.015 1.507 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.982 -6.995 0.100 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.891 -8.405 -2.039 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.195 -8.748 -1.684 1.00 0.00 H new ATOM 756 N ASP A 45 10.551 -11.917 1.560 1.00 0.00 N ATOM 757 CA ASP A 45 9.367 -12.825 1.536 1.00 0.00 C ATOM 758 C ASP A 45 8.186 -12.234 2.383 1.00 0.00 C ATOM 759 O ASP A 45 7.828 -12.759 3.445 1.00 0.00 O ATOM 760 CB ASP A 45 9.891 -14.217 1.988 1.00 0.00 C ATOM 761 CG ASP A 45 8.887 -15.359 1.848 1.00 0.00 C ATOM 762 OD1 ASP A 45 8.419 -15.730 0.776 1.00 0.00 O ATOM 763 OD2 ASP A 45 8.570 -15.923 3.046 1.00 0.00 O ATOM 0 H ASP A 45 10.981 -11.829 2.481 1.00 0.00 H new ATOM 0 HA ASP A 45 8.925 -12.930 0.545 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.780 -14.461 1.406 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.201 -14.151 3.031 1.00 0.00 H new ATOM 769 N GLY A 46 7.570 -11.134 1.903 1.00 0.00 N ATOM 770 CA GLY A 46 6.431 -10.462 2.590 1.00 0.00 C ATOM 771 C GLY A 46 6.778 -9.724 3.901 1.00 0.00 C ATOM 772 O GLY A 46 7.044 -8.519 3.907 1.00 0.00 O ATOM 0 H GLY A 46 7.842 -10.682 1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.986 -9.746 1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.669 -11.211 2.807 1.00 0.00 H new ATOM 776 N ASP A 47 6.781 -10.489 5.001 1.00 0.00 N ATOM 777 CA ASP A 47 7.426 -10.059 6.275 1.00 0.00 C ATOM 778 C ASP A 47 8.896 -10.561 6.472 1.00 0.00 C ATOM 779 O ASP A 47 9.710 -9.798 6.988 1.00 0.00 O ATOM 780 CB ASP A 47 6.500 -10.342 7.490 1.00 0.00 C ATOM 781 CG ASP A 47 6.261 -11.804 7.870 1.00 0.00 C ATOM 782 OD1 ASP A 47 6.915 -12.395 8.725 1.00 0.00 O ATOM 783 OD2 ASP A 47 5.251 -12.365 7.143 1.00 0.00 O ATOM 0 H ASP A 47 6.347 -11.411 5.047 1.00 0.00 H new ATOM 0 HA ASP A 47 7.549 -8.978 6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.919 -9.833 8.358 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.532 -9.884 7.289 1.00 0.00 H new ATOM 789 N HIS A 48 9.262 -11.808 6.115 1.00 0.00 N ATOM 790 CA HIS A 48 10.627 -12.342 6.391 1.00 0.00 C ATOM 791 C HIS A 48 11.661 -11.813 5.352 1.00 0.00 C ATOM 792 O HIS A 48 11.661 -12.207 4.182 1.00 0.00 O ATOM 793 CB HIS A 48 10.597 -13.888 6.510 1.00 0.00 C ATOM 794 CG HIS A 48 11.877 -14.575 7.021 1.00 0.00 C ATOM 795 ND1 HIS A 48 12.121 -15.920 6.792 1.00 0.00 N ATOM 796 CD2 HIS A 48 12.900 -14.026 7.830 1.00 0.00 C ATOM 797 CE1 HIS A 48 13.293 -16.063 7.491 1.00 0.00 C ATOM 798 NE2 HIS A 48 13.839 -14.991 8.143 1.00 0.00 N ATOM 0 H HIS A 48 8.644 -12.465 5.639 1.00 0.00 H new ATOM 0 HA HIS A 48 10.965 -11.969 7.358 1.00 0.00 H new ATOM 0 HB2 HIS A 48 9.778 -14.161 7.175 1.00 0.00 H new ATOM 0 HB3 HIS A 48 10.361 -14.299 5.528 1.00 0.00 H new ATOM 0 HD2 HIS A 48 12.941 -12.998 8.157 1.00 0.00 H new ATOM 0 HE1 HIS A 48 13.786 -17.023 7.527 1.00 0.00 H new ATOM 0 HE2 HIS A 48 14.692 -14.924 8.699 1.00 0.00 H new ATOM 806 N MET A 49 12.523 -10.894 5.802 1.00 0.00 N ATOM 807 CA MET A 49 13.483 -10.186 4.931 1.00 0.00 C ATOM 808 C MET A 49 14.929 -10.515 5.391 1.00 0.00 C ATOM 809 O MET A 49 15.315 -10.254 6.538 1.00 0.00 O ATOM 810 CB MET A 49 13.144 -8.680 4.994 1.00 0.00 C ATOM 811 CG MET A 49 13.743 -7.857 3.841 1.00 0.00 C ATOM 812 SD MET A 49 13.367 -6.119 4.096 1.00 0.00 S ATOM 813 CE MET A 49 11.664 -6.034 3.512 1.00 0.00 C ATOM 0 H MET A 49 12.579 -10.616 6.782 1.00 0.00 H new ATOM 0 HA MET A 49 13.414 -10.504 3.891 1.00 0.00 H new ATOM 0 HB2 MET A 49 12.061 -8.561 4.987 1.00 0.00 H new ATOM 0 HB3 MET A 49 13.503 -8.276 5.940 1.00 0.00 H new ATOM 0 HG2 MET A 49 14.822 -8.005 3.795 1.00 0.00 H new ATOM 0 HG3 MET A 49 13.335 -8.193 2.888 1.00 0.00 H new ATOM 0 HE1 MET A 49 11.095 -5.356 4.148 1.00 0.00 H new ATOM 0 HE2 MET A 49 11.649 -5.668 2.486 1.00 0.00 H new ATOM 0 HE3 MET A 49 11.217 -7.027 3.549 1.00 0.00 H new ATOM 823 N ILE A 50 15.720 -11.100 4.479 1.00 0.00 N ATOM 824 CA ILE A 50 17.127 -11.487 4.766 1.00 0.00 C ATOM 825 C ILE A 50 18.038 -10.460 4.025 1.00 0.00 C ATOM 826 O ILE A 50 18.264 -10.581 2.816 1.00 0.00 O ATOM 827 CB ILE A 50 17.417 -12.998 4.434 1.00 0.00 C ATOM 828 CG1 ILE A 50 16.475 -14.037 5.126 1.00 0.00 C ATOM 829 CG2 ILE A 50 18.877 -13.367 4.801 1.00 0.00 C ATOM 830 CD1 ILE A 50 15.173 -14.357 4.367 1.00 0.00 C ATOM 0 H ILE A 50 15.416 -11.320 3.530 1.00 0.00 H new ATOM 0 HA ILE A 50 17.343 -11.437 5.833 1.00 0.00 H new ATOM 0 HB ILE A 50 17.230 -13.067 3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 50 17.029 -14.965 5.270 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.216 -13.663 6.117 1.00 0.00 H new ATOM 0 HG21 ILE A 50 19.058 -14.415 4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 50 19.565 -12.742 4.231 1.00 0.00 H new ATOM 0 HG23 ILE A 50 19.037 -13.203 5.867 1.00 0.00 H new ATOM 0 HD11 ILE A 50 14.593 -15.087 4.931 1.00 0.00 H new ATOM 0 HD12 ILE A 50 14.589 -13.445 4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.415 -14.766 3.386 1.00 0.00 H new ATOM 842 N ILE A 51 18.571 -9.465 4.761 1.00 0.00 N ATOM 843 CA ILE A 51 19.519 -8.458 4.199 1.00 0.00 C ATOM 844 C ILE A 51 20.963 -9.052 4.311 1.00 0.00 C ATOM 845 O ILE A 51 21.573 -9.035 5.387 1.00 0.00 O ATOM 846 CB ILE A 51 19.406 -7.052 4.899 1.00 0.00 C ATOM 847 CG1 ILE A 51 17.980 -6.483 5.157 1.00 0.00 C ATOM 848 CG2 ILE A 51 20.278 -5.974 4.206 1.00 0.00 C ATOM 849 CD1 ILE A 51 17.120 -6.174 3.925 1.00 0.00 C ATOM 0 H ILE A 51 18.366 -9.329 5.751 1.00 0.00 H new ATOM 0 HA ILE A 51 19.267 -8.270 3.155 1.00 0.00 H new ATOM 0 HB ILE A 51 19.791 -7.282 5.892 1.00 0.00 H new ATOM 0 HG12 ILE A 51 17.438 -7.196 5.778 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.081 -5.566 5.738 1.00 0.00 H new ATOM 0 HG21 ILE A 51 20.164 -5.024 4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 51 21.324 -6.280 4.233 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.960 -5.860 3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 51 16.153 -5.785 4.244 1.00 0.00 H new ATOM 0 HD12 ILE A 51 17.624 -5.431 3.307 1.00 0.00 H new ATOM 0 HD13 ILE A 51 16.971 -7.086 3.347 1.00 0.00 H new ATOM 861 N ARG A 52 21.506 -9.575 3.201 1.00 0.00 N ATOM 862 CA ARG A 52 22.869 -10.171 3.174 1.00 0.00 C ATOM 863 C ARG A 52 23.877 -9.081 2.706 1.00 0.00 C ATOM 864 O ARG A 52 24.003 -8.827 1.505 1.00 0.00 O ATOM 865 CB ARG A 52 22.899 -11.409 2.233 1.00 0.00 C ATOM 866 CG ARG A 52 21.888 -12.541 2.524 1.00 0.00 C ATOM 867 CD ARG A 52 21.974 -13.692 1.511 1.00 0.00 C ATOM 868 NE ARG A 52 20.998 -14.740 1.898 1.00 0.00 N ATOM 869 CZ ARG A 52 20.540 -15.698 1.096 1.00 0.00 C ATOM 870 NH1 ARG A 52 20.890 -15.848 -0.164 1.00 0.00 N ATOM 871 NH2 ARG A 52 19.686 -16.548 1.598 1.00 0.00 N ATOM 0 H ARG A 52 21.026 -9.602 2.301 1.00 0.00 H new ATOM 0 HA ARG A 52 23.149 -10.513 4.170 1.00 0.00 H new ATOM 0 HB2 ARG A 52 22.734 -11.062 1.213 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.902 -11.835 2.266 1.00 0.00 H new ATOM 0 HG2 ARG A 52 22.065 -12.931 3.526 1.00 0.00 H new ATOM 0 HG3 ARG A 52 20.878 -12.131 2.516 1.00 0.00 H new ATOM 0 HD2 ARG A 52 21.759 -13.328 0.506 1.00 0.00 H new ATOM 0 HD3 ARG A 52 22.983 -14.104 1.492 1.00 0.00 H new ATOM 0 HE ARG A 52 20.650 -14.725 2.857 1.00 0.00 H new ATOM 0 HH11 ARG A 52 21.557 -15.203 -0.588 1.00 0.00 H new ATOM 0 HH12 ARG A 52 20.495 -16.609 -0.716 1.00 0.00 H new ATOM 0 HH21 ARG A 52 19.394 -16.463 2.572 1.00 0.00 H new ATOM 0 HH22 ARG A 52 19.311 -17.297 1.017 1.00 0.00 H new ATOM 885 N THR A 53 24.575 -8.418 3.643 1.00 0.00 N ATOM 886 CA THR A 53 25.515 -7.304 3.308 1.00 0.00 C ATOM 887 C THR A 53 26.943 -7.905 3.111 1.00 0.00 C ATOM 888 O THR A 53 27.632 -8.262 4.074 1.00 0.00 O ATOM 889 CB THR A 53 25.424 -6.193 4.395 1.00 0.00 C ATOM 890 OG1 THR A 53 24.067 -5.844 4.650 1.00 0.00 O ATOM 891 CG2 THR A 53 26.134 -4.886 4.017 1.00 0.00 C ATOM 0 H THR A 53 24.515 -8.624 4.640 1.00 0.00 H new ATOM 0 HA THR A 53 25.248 -6.814 2.372 1.00 0.00 H new ATOM 0 HB THR A 53 25.915 -6.629 5.265 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.032 -5.146 5.337 1.00 0.00 H new ATOM 0 HG21 THR A 53 26.024 -4.165 4.827 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.193 -5.083 3.848 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.691 -4.481 3.107 1.00 0.00 H new ATOM 899 N LEU A 54 27.332 -8.089 1.842 1.00 0.00 N ATOM 900 CA LEU A 54 28.378 -9.067 1.443 1.00 0.00 C ATOM 901 C LEU A 54 29.758 -8.389 1.211 1.00 0.00 C ATOM 902 O LEU A 54 29.876 -7.370 0.519 1.00 0.00 O ATOM 903 CB LEU A 54 27.904 -9.800 0.154 1.00 0.00 C ATOM 904 CG LEU A 54 26.687 -10.751 0.320 1.00 0.00 C ATOM 905 CD1 LEU A 54 25.956 -10.934 -1.018 1.00 0.00 C ATOM 906 CD2 LEU A 54 27.095 -12.112 0.911 1.00 0.00 C ATOM 0 H LEU A 54 26.937 -7.570 1.058 1.00 0.00 H new ATOM 0 HA LEU A 54 28.516 -9.781 2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.654 -9.049 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.740 -10.378 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 54 26.004 -10.284 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 54 25.107 -11.603 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 54 25.601 -9.967 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 54 26.640 -11.362 -1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 54 26.213 -12.745 1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 54 27.816 -12.594 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 54 27.546 -11.962 1.892 1.00 0.00 H new ATOM 918 N SER A 55 30.806 -8.993 1.788 1.00 0.00 N ATOM 919 CA SER A 55 32.188 -8.459 1.735 1.00 0.00 C ATOM 920 C SER A 55 33.237 -9.613 1.824 1.00 0.00 C ATOM 921 O SER A 55 33.072 -10.568 2.592 1.00 0.00 O ATOM 922 CB SER A 55 32.362 -7.486 2.927 1.00 0.00 C ATOM 923 OG SER A 55 33.628 -6.836 2.878 1.00 0.00 O ATOM 0 H SER A 55 30.727 -9.867 2.307 1.00 0.00 H new ATOM 0 HA SER A 55 32.351 -7.943 0.789 1.00 0.00 H new ATOM 0 HB2 SER A 55 31.566 -6.741 2.911 1.00 0.00 H new ATOM 0 HB3 SER A 55 32.267 -8.034 3.864 1.00 0.00 H new ATOM 0 HG SER A 55 33.520 -5.936 2.505 1.00 0.00 H new ATOM 929 N THR A 56 34.386 -9.478 1.133 1.00 0.00 N ATOM 930 CA THR A 56 35.585 -10.354 1.377 1.00 0.00 C ATOM 931 C THR A 56 36.413 -9.969 2.667 1.00 0.00 C ATOM 932 O THR A 56 37.624 -9.737 2.634 1.00 0.00 O ATOM 933 CB THR A 56 36.391 -10.469 0.042 1.00 0.00 C ATOM 934 OG1 THR A 56 37.412 -11.454 0.167 1.00 0.00 O ATOM 935 CG2 THR A 56 37.079 -9.190 -0.473 1.00 0.00 C ATOM 0 H THR A 56 34.525 -8.780 0.402 1.00 0.00 H new ATOM 0 HA THR A 56 35.261 -11.360 1.644 1.00 0.00 H new ATOM 0 HB THR A 56 35.617 -10.722 -0.683 1.00 0.00 H new ATOM 0 HG1 THR A 56 37.909 -11.519 -0.675 1.00 0.00 H new ATOM 0 HG21 THR A 56 37.602 -9.408 -1.404 1.00 0.00 H new ATOM 0 HG22 THR A 56 36.329 -8.419 -0.650 1.00 0.00 H new ATOM 0 HG23 THR A 56 37.794 -8.837 0.270 1.00 0.00 H new ATOM 943 N PHE A 57 35.722 -9.901 3.823 1.00 0.00 N ATOM 944 CA PHE A 57 36.244 -9.330 5.100 1.00 0.00 C ATOM 945 C PHE A 57 35.206 -9.594 6.244 1.00 0.00 C ATOM 946 O PHE A 57 35.505 -10.343 7.179 1.00 0.00 O ATOM 947 CB PHE A 57 36.631 -7.824 4.935 1.00 0.00 C ATOM 948 CG PHE A 57 37.182 -7.112 6.181 1.00 0.00 C ATOM 949 CD1 PHE A 57 38.494 -7.341 6.609 1.00 0.00 C ATOM 950 CD2 PHE A 57 36.374 -6.219 6.893 1.00 0.00 C ATOM 951 CE1 PHE A 57 38.986 -6.694 7.741 1.00 0.00 C ATOM 952 CE2 PHE A 57 36.867 -5.573 8.022 1.00 0.00 C ATOM 953 CZ PHE A 57 38.172 -5.810 8.447 1.00 0.00 C ATOM 0 H PHE A 57 34.766 -10.246 3.906 1.00 0.00 H new ATOM 0 HA PHE A 57 37.171 -9.830 5.380 1.00 0.00 H new ATOM 0 HB2 PHE A 57 37.376 -7.749 4.143 1.00 0.00 H new ATOM 0 HB3 PHE A 57 35.749 -7.281 4.595 1.00 0.00 H new ATOM 0 HD1 PHE A 57 39.128 -8.022 6.060 1.00 0.00 H new ATOM 0 HD2 PHE A 57 35.363 -6.030 6.565 1.00 0.00 H new ATOM 0 HE1 PHE A 57 39.998 -6.878 8.071 1.00 0.00 H new ATOM 0 HE2 PHE A 57 36.237 -4.887 8.569 1.00 0.00 H new ATOM 0 HZ PHE A 57 38.553 -5.308 9.324 1.00 0.00 H new ATOM 963 N ARG A 58 34.006 -8.970 6.197 1.00 0.00 N ATOM 964 CA ARG A 58 32.960 -9.146 7.240 1.00 0.00 C ATOM 965 C ARG A 58 31.547 -9.179 6.579 1.00 0.00 C ATOM 966 O ARG A 58 31.011 -8.141 6.176 1.00 0.00 O ATOM 967 CB ARG A 58 33.109 -8.040 8.333 1.00 0.00 C ATOM 968 CG ARG A 58 32.750 -8.511 9.768 1.00 0.00 C ATOM 969 CD ARG A 58 33.925 -9.051 10.619 1.00 0.00 C ATOM 970 NE ARG A 58 34.622 -10.212 9.994 1.00 0.00 N ATOM 971 CZ ARG A 58 35.053 -11.299 10.628 1.00 0.00 C ATOM 972 NH1 ARG A 58 34.880 -11.539 11.910 1.00 0.00 N ATOM 973 NH2 ARG A 58 35.695 -12.189 9.923 1.00 0.00 N ATOM 0 H ARG A 58 33.734 -8.336 5.445 1.00 0.00 H new ATOM 0 HA ARG A 58 33.087 -10.103 7.745 1.00 0.00 H new ATOM 0 HB2 ARG A 58 34.137 -7.677 8.328 1.00 0.00 H new ATOM 0 HB3 ARG A 58 32.471 -7.196 8.069 1.00 0.00 H new ATOM 0 HG2 ARG A 58 32.296 -7.675 10.300 1.00 0.00 H new ATOM 0 HG3 ARG A 58 31.992 -9.291 9.694 1.00 0.00 H new ATOM 0 HD2 ARG A 58 34.645 -8.249 10.782 1.00 0.00 H new ATOM 0 HD3 ARG A 58 33.549 -9.346 11.599 1.00 0.00 H new ATOM 0 HE ARG A 58 34.783 -10.168 8.988 1.00 0.00 H new ATOM 0 HH11 ARG A 58 34.384 -10.865 12.493 1.00 0.00 H new ATOM 0 HH12 ARG A 58 35.242 -12.399 12.321 1.00 0.00 H new ATOM 0 HH21 ARG A 58 35.849 -12.036 8.926 1.00 0.00 H new ATOM 0 HH22 ARG A 58 36.043 -13.038 10.368 1.00 0.00 H new ATOM 987 N ASN A 59 30.947 -10.378 6.460 1.00 0.00 N ATOM 988 CA ASN A 59 29.588 -10.547 5.869 1.00 0.00 C ATOM 989 C ASN A 59 28.495 -10.403 6.972 1.00 0.00 C ATOM 990 O ASN A 59 28.463 -11.175 7.937 1.00 0.00 O ATOM 991 CB ASN A 59 29.464 -11.926 5.170 1.00 0.00 C ATOM 992 CG ASN A 59 30.336 -12.121 3.927 1.00 0.00 C ATOM 993 OD1 ASN A 59 30.075 -11.569 2.866 1.00 0.00 O ATOM 994 ND2 ASN A 59 31.391 -12.893 3.996 1.00 0.00 N ATOM 0 H ASN A 59 31.376 -11.252 6.764 1.00 0.00 H new ATOM 0 HA ASN A 59 29.439 -9.766 5.123 1.00 0.00 H new ATOM 0 HB2 ASN A 59 29.715 -12.703 5.892 1.00 0.00 H new ATOM 0 HB3 ASN A 59 28.422 -12.077 4.888 1.00 0.00 H new ATOM 0 HD21 ASN A 59 31.980 -13.026 3.174 1.00 0.00 H new ATOM 0 HD22 ASN A 59 31.624 -13.361 4.872 1.00 0.00 H new ATOM 1001 N TYR A 60 27.600 -9.417 6.820 1.00 0.00 N ATOM 1002 CA TYR A 60 26.567 -9.103 7.848 1.00 0.00 C ATOM 1003 C TYR A 60 25.157 -9.552 7.362 1.00 0.00 C ATOM 1004 O TYR A 60 24.582 -8.972 6.434 1.00 0.00 O ATOM 1005 CB TYR A 60 26.620 -7.595 8.221 1.00 0.00 C ATOM 1006 CG TYR A 60 27.813 -7.159 9.088 1.00 0.00 C ATOM 1007 CD1 TYR A 60 27.926 -7.634 10.399 1.00 0.00 C ATOM 1008 CD2 TYR A 60 28.743 -6.226 8.615 1.00 0.00 C ATOM 1009 CE1 TYR A 60 28.937 -7.169 11.231 1.00 0.00 C ATOM 1010 CE2 TYR A 60 29.750 -5.752 9.455 1.00 0.00 C ATOM 1011 CZ TYR A 60 29.833 -6.212 10.765 1.00 0.00 C ATOM 1012 OH TYR A 60 30.681 -5.614 11.655 1.00 0.00 O ATOM 0 H TYR A 60 27.561 -8.815 5.997 1.00 0.00 H new ATOM 0 HA TYR A 60 26.780 -9.666 8.757 1.00 0.00 H new ATOM 0 HB2 TYR A 60 26.633 -7.013 7.300 1.00 0.00 H new ATOM 0 HB3 TYR A 60 25.700 -7.338 8.747 1.00 0.00 H new ATOM 0 HD1 TYR A 60 27.223 -8.367 10.767 1.00 0.00 H new ATOM 0 HD2 TYR A 60 28.680 -5.872 7.597 1.00 0.00 H new ATOM 0 HE1 TYR A 60 29.027 -7.550 12.238 1.00 0.00 H new ATOM 0 HE2 TYR A 60 30.464 -5.029 9.089 1.00 0.00 H new ATOM 0 HH TYR A 60 30.161 -5.200 12.375 1.00 0.00 H new ATOM 1022 N ILE A 61 24.611 -10.601 8.000 1.00 0.00 N ATOM 1023 CA ILE A 61 23.328 -11.237 7.577 1.00 0.00 C ATOM 1024 C ILE A 61 22.218 -10.818 8.597 1.00 0.00 C ATOM 1025 O ILE A 61 22.157 -11.346 9.713 1.00 0.00 O ATOM 1026 CB ILE A 61 23.489 -12.797 7.430 1.00 0.00 C ATOM 1027 CG1 ILE A 61 24.732 -13.310 6.632 1.00 0.00 C ATOM 1028 CG2 ILE A 61 22.204 -13.466 6.876 1.00 0.00 C ATOM 1029 CD1 ILE A 61 24.901 -12.810 5.186 1.00 0.00 C ATOM 0 H ILE A 61 25.034 -11.038 8.819 1.00 0.00 H new ATOM 0 HA ILE A 61 23.032 -10.888 6.588 1.00 0.00 H new ATOM 0 HB ILE A 61 23.670 -13.104 8.460 1.00 0.00 H new ATOM 0 HG12 ILE A 61 25.627 -13.036 7.190 1.00 0.00 H new ATOM 0 HG13 ILE A 61 24.692 -14.399 6.609 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.361 -14.541 6.791 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.372 -13.273 7.554 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.974 -13.054 5.893 1.00 0.00 H new ATOM 0 HD11 ILE A 61 25.802 -13.244 4.754 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.035 -13.108 4.595 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.985 -11.723 5.184 1.00 0.00 H new ATOM 1041 N MET A 62 21.328 -9.887 8.210 1.00 0.00 N ATOM 1042 CA MET A 62 20.175 -9.471 9.059 1.00 0.00 C ATOM 1043 C MET A 62 18.890 -10.213 8.581 1.00 0.00 C ATOM 1044 O MET A 62 18.163 -9.731 7.705 1.00 0.00 O ATOM 1045 CB MET A 62 20.025 -7.925 9.018 1.00 0.00 C ATOM 1046 CG MET A 62 21.051 -7.097 9.813 1.00 0.00 C ATOM 1047 SD MET A 62 20.381 -6.585 11.411 1.00 0.00 S ATOM 1048 CE MET A 62 19.476 -5.090 10.950 1.00 0.00 C ATOM 0 H MET A 62 21.377 -9.402 7.314 1.00 0.00 H new ATOM 0 HA MET A 62 20.345 -9.748 10.099 1.00 0.00 H new ATOM 0 HB2 MET A 62 20.070 -7.609 7.976 1.00 0.00 H new ATOM 0 HB3 MET A 62 19.030 -7.672 9.385 1.00 0.00 H new ATOM 0 HG2 MET A 62 21.956 -7.685 9.967 1.00 0.00 H new ATOM 0 HG3 MET A 62 21.337 -6.217 9.237 1.00 0.00 H new ATOM 0 HE1 MET A 62 19.007 -4.661 11.836 1.00 0.00 H new ATOM 0 HE2 MET A 62 20.166 -4.366 10.517 1.00 0.00 H new ATOM 0 HE3 MET A 62 18.708 -5.341 10.219 1.00 0.00 H new ATOM 1058 N ASP A 63 18.616 -11.394 9.165 1.00 0.00 N ATOM 1059 CA ASP A 63 17.382 -12.170 8.898 1.00 0.00 C ATOM 1060 C ASP A 63 16.264 -11.836 9.935 1.00 0.00 C ATOM 1061 O ASP A 63 16.394 -12.145 11.124 1.00 0.00 O ATOM 1062 CB ASP A 63 17.766 -13.669 8.793 1.00 0.00 C ATOM 1063 CG ASP A 63 18.294 -14.385 10.038 1.00 0.00 C ATOM 1064 OD1 ASP A 63 19.465 -14.345 10.395 1.00 0.00 O ATOM 1065 OD2 ASP A 63 17.321 -15.076 10.693 1.00 0.00 O ATOM 0 H ASP A 63 19.241 -11.841 9.836 1.00 0.00 H new ATOM 0 HA ASP A 63 16.935 -11.889 7.944 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.885 -14.212 8.449 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.522 -13.762 8.014 1.00 0.00 H new ATOM 1071 N PHE A 64 15.183 -11.174 9.489 1.00 0.00 N ATOM 1072 CA PHE A 64 14.153 -10.611 10.411 1.00 0.00 C ATOM 1073 C PHE A 64 12.718 -10.638 9.804 1.00 0.00 C ATOM 1074 O PHE A 64 12.516 -10.446 8.601 1.00 0.00 O ATOM 1075 CB PHE A 64 14.560 -9.181 10.892 1.00 0.00 C ATOM 1076 CG PHE A 64 14.838 -8.098 9.826 1.00 0.00 C ATOM 1077 CD1 PHE A 64 13.794 -7.537 9.084 1.00 0.00 C ATOM 1078 CD2 PHE A 64 16.154 -7.714 9.551 1.00 0.00 C ATOM 1079 CE1 PHE A 64 14.068 -6.652 8.047 1.00 0.00 C ATOM 1080 CE2 PHE A 64 16.422 -6.809 8.526 1.00 0.00 C ATOM 1081 CZ PHE A 64 15.378 -6.287 7.768 1.00 0.00 C ATOM 0 H PHE A 64 14.990 -11.010 8.501 1.00 0.00 H new ATOM 0 HA PHE A 64 14.116 -11.261 11.285 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.767 -8.811 11.542 1.00 0.00 H new ATOM 0 HB3 PHE A 64 15.455 -9.280 11.506 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.771 -7.792 9.317 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.966 -8.121 10.135 1.00 0.00 H new ATOM 0 HE1 PHE A 64 13.259 -6.247 7.457 1.00 0.00 H new ATOM 0 HE2 PHE A 64 17.440 -6.513 8.320 1.00 0.00 H new ATOM 0 HZ PHE A 64 15.587 -5.598 6.963 1.00 0.00 H new ATOM 1091 N GLN A 65 11.707 -10.796 10.670 1.00 0.00 N ATOM 1092 CA GLN A 65 10.283 -10.603 10.296 1.00 0.00 C ATOM 1093 C GLN A 65 9.883 -9.105 10.473 1.00 0.00 C ATOM 1094 O GLN A 65 9.880 -8.573 11.588 1.00 0.00 O ATOM 1095 CB GLN A 65 9.390 -11.545 11.152 1.00 0.00 C ATOM 1096 CG GLN A 65 9.425 -13.057 10.793 1.00 0.00 C ATOM 1097 CD GLN A 65 10.648 -13.853 11.276 1.00 0.00 C ATOM 1098 OE1 GLN A 65 11.354 -13.500 12.217 1.00 0.00 O ATOM 1099 NE2 GLN A 65 10.932 -14.972 10.658 1.00 0.00 N ATOM 0 H GLN A 65 11.843 -11.060 11.646 1.00 0.00 H new ATOM 0 HA GLN A 65 10.136 -10.860 9.247 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.684 -11.436 12.196 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.359 -11.200 11.073 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.530 -13.525 11.204 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.364 -13.151 9.709 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.357 -15.282 9.874 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.728 -15.534 10.960 1.00 0.00 H new ATOM 1108 N VAL A 66 9.510 -8.434 9.370 1.00 0.00 N ATOM 1109 CA VAL A 66 9.014 -7.025 9.373 1.00 0.00 C ATOM 1110 C VAL A 66 7.626 -6.956 10.107 1.00 0.00 C ATOM 1111 O VAL A 66 6.637 -7.554 9.670 1.00 0.00 O ATOM 1112 CB VAL A 66 8.965 -6.474 7.904 1.00 0.00 C ATOM 1113 CG1 VAL A 66 8.553 -4.990 7.846 1.00 0.00 C ATOM 1114 CG2 VAL A 66 10.293 -6.575 7.116 1.00 0.00 C ATOM 0 H VAL A 66 9.540 -8.847 8.438 1.00 0.00 H new ATOM 0 HA VAL A 66 9.698 -6.381 9.926 1.00 0.00 H new ATOM 0 HB VAL A 66 8.224 -7.125 7.441 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.534 -4.658 6.808 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.562 -4.870 8.283 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.271 -4.391 8.406 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.154 -6.168 6.114 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.067 -6.008 7.633 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.595 -7.620 7.044 1.00 0.00 H new ATOM 1124 N GLY A 67 7.602 -6.286 11.268 1.00 0.00 N ATOM 1125 CA GLY A 67 6.581 -6.533 12.322 1.00 0.00 C ATOM 1126 C GLY A 67 7.149 -6.915 13.712 1.00 0.00 C ATOM 1127 O GLY A 67 6.703 -6.365 14.719 1.00 0.00 O ATOM 0 H GLY A 67 8.278 -5.562 11.511 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.970 -5.637 12.431 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.920 -7.331 11.985 1.00 0.00 H new ATOM 1131 N LYS A 68 8.085 -7.879 13.780 1.00 0.00 N ATOM 1132 CA LYS A 68 8.635 -8.400 15.064 1.00 0.00 C ATOM 1133 C LYS A 68 9.846 -7.566 15.609 1.00 0.00 C ATOM 1134 O LYS A 68 10.631 -6.979 14.856 1.00 0.00 O ATOM 1135 CB LYS A 68 9.045 -9.893 14.890 1.00 0.00 C ATOM 1136 CG LYS A 68 7.914 -10.883 14.513 1.00 0.00 C ATOM 1137 CD LYS A 68 8.320 -12.363 14.695 1.00 0.00 C ATOM 1138 CE LYS A 68 7.280 -13.381 14.190 1.00 0.00 C ATOM 1139 NZ LYS A 68 6.106 -13.463 15.085 1.00 0.00 N ATOM 0 H LYS A 68 8.486 -8.324 12.954 1.00 0.00 H new ATOM 0 HA LYS A 68 7.843 -8.309 15.807 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.816 -9.947 14.121 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.499 -10.233 15.821 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.037 -10.675 15.126 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.624 -10.717 13.475 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.261 -12.535 14.172 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.505 -12.548 15.753 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.954 -13.100 13.189 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.744 -14.364 14.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.431 -14.159 14.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.413 -13.756 16.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.647 -12.531 15.142 1.00 0.00 H new ATOM 1152 N GLU A 69 10.011 -7.570 16.946 1.00 0.00 N ATOM 1153 CA GLU A 69 11.180 -6.947 17.627 1.00 0.00 C ATOM 1154 C GLU A 69 12.272 -8.028 17.938 1.00 0.00 C ATOM 1155 O GLU A 69 12.080 -8.872 18.819 1.00 0.00 O ATOM 1156 CB GLU A 69 10.635 -6.204 18.876 1.00 0.00 C ATOM 1157 CG GLU A 69 11.677 -5.293 19.563 1.00 0.00 C ATOM 1158 CD GLU A 69 11.124 -4.480 20.730 1.00 0.00 C ATOM 1159 OE1 GLU A 69 10.665 -3.346 20.621 1.00 0.00 O ATOM 1160 OE2 GLU A 69 11.198 -5.153 21.911 1.00 0.00 O ATOM 0 H GLU A 69 9.346 -8.001 17.588 1.00 0.00 H new ATOM 0 HA GLU A 69 11.689 -6.219 16.995 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.776 -5.601 18.582 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.277 -6.939 19.597 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.501 -5.909 19.922 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.090 -4.609 18.822 1.00 0.00 H new ATOM 1168 N PHE A 70 13.400 -8.020 17.200 1.00 0.00 N ATOM 1169 CA PHE A 70 14.431 -9.102 17.264 1.00 0.00 C ATOM 1170 C PHE A 70 15.744 -8.676 18.007 1.00 0.00 C ATOM 1171 O PHE A 70 16.239 -7.559 17.844 1.00 0.00 O ATOM 1172 CB PHE A 70 14.675 -9.669 15.829 1.00 0.00 C ATOM 1173 CG PHE A 70 15.587 -8.872 14.873 1.00 0.00 C ATOM 1174 CD1 PHE A 70 15.087 -7.780 14.157 1.00 0.00 C ATOM 1175 CD2 PHE A 70 16.935 -9.225 14.732 1.00 0.00 C ATOM 1176 CE1 PHE A 70 15.927 -7.041 13.328 1.00 0.00 C ATOM 1177 CE2 PHE A 70 17.768 -8.494 13.888 1.00 0.00 C ATOM 1178 CZ PHE A 70 17.265 -7.399 13.193 1.00 0.00 C ATOM 0 H PHE A 70 13.631 -7.274 16.544 1.00 0.00 H new ATOM 0 HA PHE A 70 14.042 -9.908 17.886 1.00 0.00 H new ATOM 0 HB2 PHE A 70 15.096 -10.669 15.934 1.00 0.00 H new ATOM 0 HB3 PHE A 70 13.704 -9.781 15.346 1.00 0.00 H new ATOM 0 HD1 PHE A 70 14.046 -7.509 14.247 1.00 0.00 H new ATOM 0 HD2 PHE A 70 17.330 -10.068 15.280 1.00 0.00 H new ATOM 0 HE1 PHE A 70 15.540 -6.189 12.789 1.00 0.00 H new ATOM 0 HE2 PHE A 70 18.804 -8.777 13.773 1.00 0.00 H new ATOM 0 HZ PHE A 70 17.914 -6.826 12.548 1.00 0.00 H new ATOM 1188 N GLU A 71 16.349 -9.592 18.781 1.00 0.00 N ATOM 1189 CA GLU A 71 17.613 -9.319 19.525 1.00 0.00 C ATOM 1190 C GLU A 71 18.905 -9.336 18.636 1.00 0.00 C ATOM 1191 O GLU A 71 19.370 -10.397 18.206 1.00 0.00 O ATOM 1192 CB GLU A 71 17.697 -10.262 20.762 1.00 0.00 C ATOM 1193 CG GLU A 71 17.698 -11.798 20.520 1.00 0.00 C ATOM 1194 CD GLU A 71 17.723 -12.611 21.812 1.00 0.00 C ATOM 1195 OE1 GLU A 71 16.707 -12.918 22.429 1.00 0.00 O ATOM 1196 OE2 GLU A 71 18.990 -12.948 22.197 1.00 0.00 O ATOM 0 H GLU A 71 15.989 -10.537 18.915 1.00 0.00 H new ATOM 0 HA GLU A 71 17.574 -8.288 19.875 1.00 0.00 H new ATOM 0 HB2 GLU A 71 18.605 -10.011 21.310 1.00 0.00 H new ATOM 0 HB3 GLU A 71 16.856 -10.029 21.415 1.00 0.00 H new ATOM 0 HG2 GLU A 71 16.813 -12.069 19.945 1.00 0.00 H new ATOM 0 HG3 GLU A 71 18.565 -12.063 19.915 1.00 0.00 H new ATOM 1204 N GLU A 72 19.536 -8.164 18.420 1.00 0.00 N ATOM 1205 CA GLU A 72 20.852 -8.064 17.714 1.00 0.00 C ATOM 1206 C GLU A 72 22.081 -8.381 18.643 1.00 0.00 C ATOM 1207 O GLU A 72 22.981 -7.559 18.842 1.00 0.00 O ATOM 1208 CB GLU A 72 20.982 -6.671 17.031 1.00 0.00 C ATOM 1209 CG GLU A 72 20.018 -6.375 15.856 1.00 0.00 C ATOM 1210 CD GLU A 72 20.441 -5.163 15.026 1.00 0.00 C ATOM 1211 OE1 GLU A 72 21.191 -5.224 14.057 1.00 0.00 O ATOM 1212 OE2 GLU A 72 19.917 -3.998 15.495 1.00 0.00 O ATOM 0 H GLU A 72 19.162 -7.264 18.722 1.00 0.00 H new ATOM 0 HA GLU A 72 20.870 -8.836 16.945 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.835 -5.905 17.792 1.00 0.00 H new ATOM 0 HB3 GLU A 72 22.004 -6.566 16.666 1.00 0.00 H new ATOM 0 HG2 GLU A 72 19.964 -7.250 15.209 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.016 -6.207 16.249 1.00 0.00 H new ATOM 1220 N ASP A 73 22.145 -9.615 19.171 1.00 0.00 N ATOM 1221 CA ASP A 73 23.378 -10.185 19.796 1.00 0.00 C ATOM 1222 C ASP A 73 24.372 -10.824 18.768 1.00 0.00 C ATOM 1223 O ASP A 73 25.574 -10.577 18.865 1.00 0.00 O ATOM 1224 CB ASP A 73 22.998 -11.111 20.984 1.00 0.00 C ATOM 1225 CG ASP A 73 22.170 -12.362 20.676 1.00 0.00 C ATOM 1226 OD1 ASP A 73 20.943 -12.367 20.681 1.00 0.00 O ATOM 1227 OD2 ASP A 73 22.948 -13.447 20.389 1.00 0.00 O ATOM 0 H ASP A 73 21.351 -10.255 19.183 1.00 0.00 H new ATOM 0 HA ASP A 73 23.956 -9.357 20.207 1.00 0.00 H new ATOM 0 HB2 ASP A 73 23.921 -11.431 21.468 1.00 0.00 H new ATOM 0 HB3 ASP A 73 22.447 -10.515 21.711 1.00 0.00 H new ATOM 1233 N LEU A 74 23.887 -11.615 17.793 1.00 0.00 N ATOM 1234 CA LEU A 74 24.693 -12.091 16.629 1.00 0.00 C ATOM 1235 C LEU A 74 24.345 -11.311 15.313 1.00 0.00 C ATOM 1236 O LEU A 74 25.250 -10.763 14.680 1.00 0.00 O ATOM 1237 CB LEU A 74 24.534 -13.643 16.553 1.00 0.00 C ATOM 1238 CG LEU A 74 25.504 -14.478 15.670 1.00 0.00 C ATOM 1239 CD1 LEU A 74 25.339 -14.250 14.158 1.00 0.00 C ATOM 1240 CD2 LEU A 74 26.981 -14.322 16.072 1.00 0.00 C ATOM 0 H LEU A 74 22.923 -11.949 17.781 1.00 0.00 H new ATOM 0 HA LEU A 74 25.753 -11.873 16.762 1.00 0.00 H new ATOM 0 HB2 LEU A 74 24.608 -14.027 17.570 1.00 0.00 H new ATOM 0 HB3 LEU A 74 23.521 -13.849 16.207 1.00 0.00 H new ATOM 0 HG LEU A 74 25.205 -15.507 15.871 1.00 0.00 H new ATOM 0 HD11 LEU A 74 26.053 -14.870 13.616 1.00 0.00 H new ATOM 0 HD12 LEU A 74 24.326 -14.517 13.858 1.00 0.00 H new ATOM 0 HD13 LEU A 74 25.521 -13.201 13.926 1.00 0.00 H new ATOM 0 HD21 LEU A 74 27.603 -14.931 15.416 1.00 0.00 H new ATOM 0 HD22 LEU A 74 27.274 -13.276 15.982 1.00 0.00 H new ATOM 0 HD23 LEU A 74 27.114 -14.648 17.103 1.00 0.00 H new ATOM 1252 N THR A 75 23.066 -11.258 14.886 1.00 0.00 N ATOM 1253 CA THR A 75 22.656 -10.684 13.566 1.00 0.00 C ATOM 1254 C THR A 75 22.584 -9.118 13.568 1.00 0.00 C ATOM 1255 O THR A 75 21.520 -8.520 13.752 1.00 0.00 O ATOM 1256 CB THR A 75 21.318 -11.344 13.091 1.00 0.00 C ATOM 1257 OG1 THR A 75 20.285 -11.209 14.064 1.00 0.00 O ATOM 1258 CG2 THR A 75 21.412 -12.838 12.743 1.00 0.00 C ATOM 0 H THR A 75 22.283 -11.608 15.437 1.00 0.00 H new ATOM 0 HA THR A 75 23.436 -10.925 12.844 1.00 0.00 H new ATOM 0 HB THR A 75 21.088 -10.796 12.177 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.238 -10.277 14.364 1.00 0.00 H new ATOM 0 HG21 THR A 75 20.434 -13.200 12.426 1.00 0.00 H new ATOM 0 HG22 THR A 75 22.131 -12.979 11.936 1.00 0.00 H new ATOM 0 HG23 THR A 75 21.738 -13.396 13.621 1.00 0.00 H new ATOM 1266 N GLY A 76 23.729 -8.453 13.337 1.00 0.00 N ATOM 1267 CA GLY A 76 23.800 -6.967 13.321 1.00 0.00 C ATOM 1268 C GLY A 76 25.187 -6.385 12.969 1.00 0.00 C ATOM 1269 O GLY A 76 26.215 -7.058 13.076 1.00 0.00 O ATOM 0 H GLY A 76 24.622 -8.913 13.158 1.00 0.00 H new ATOM 0 HA2 GLY A 76 23.072 -6.591 12.603 1.00 0.00 H new ATOM 0 HA3 GLY A 76 23.504 -6.593 14.301 1.00 0.00 H new ATOM 1273 N ILE A 77 25.210 -5.099 12.580 1.00 0.00 N ATOM 1274 CA ILE A 77 26.454 -4.394 12.111 1.00 0.00 C ATOM 1275 C ILE A 77 27.507 -4.228 13.272 1.00 0.00 C ATOM 1276 O ILE A 77 28.609 -4.783 13.203 1.00 0.00 O ATOM 1277 CB ILE A 77 26.066 -3.088 11.308 1.00 0.00 C ATOM 1278 CG1 ILE A 77 25.421 -3.341 9.905 1.00 0.00 C ATOM 1279 CG2 ILE A 77 27.272 -2.139 11.063 1.00 0.00 C ATOM 1280 CD1 ILE A 77 23.986 -3.899 9.881 1.00 0.00 C ATOM 0 H ILE A 77 24.380 -4.506 12.575 1.00 0.00 H new ATOM 0 HA ILE A 77 26.992 -5.010 11.391 1.00 0.00 H new ATOM 0 HB ILE A 77 25.329 -2.632 11.969 1.00 0.00 H new ATOM 0 HG12 ILE A 77 25.427 -2.400 9.356 1.00 0.00 H new ATOM 0 HG13 ILE A 77 26.062 -4.033 9.358 1.00 0.00 H new ATOM 0 HG21 ILE A 77 26.938 -1.263 10.507 1.00 0.00 H new ATOM 0 HG22 ILE A 77 27.688 -1.825 12.020 1.00 0.00 H new ATOM 0 HG23 ILE A 77 28.037 -2.663 10.489 1.00 0.00 H new ATOM 0 HD11 ILE A 77 23.662 -4.026 8.848 1.00 0.00 H new ATOM 0 HD12 ILE A 77 23.962 -4.862 10.390 1.00 0.00 H new ATOM 0 HD13 ILE A 77 23.317 -3.204 10.388 1.00 0.00 H new ATOM 1292 N ASP A 78 27.164 -3.509 14.352 1.00 0.00 N ATOM 1293 CA ASP A 78 27.810 -3.708 15.674 1.00 0.00 C ATOM 1294 C ASP A 78 26.816 -4.495 16.585 1.00 0.00 C ATOM 1295 O ASP A 78 25.965 -3.904 17.255 1.00 0.00 O ATOM 1296 CB ASP A 78 28.200 -2.307 16.189 1.00 0.00 C ATOM 1297 CG ASP A 78 28.887 -2.317 17.550 1.00 0.00 C ATOM 1298 OD1 ASP A 78 30.022 -2.749 17.733 1.00 0.00 O ATOM 1299 OD2 ASP A 78 28.074 -1.832 18.535 1.00 0.00 O ATOM 0 H ASP A 78 26.446 -2.785 14.344 1.00 0.00 H new ATOM 0 HA ASP A 78 28.721 -4.306 15.644 1.00 0.00 H new ATOM 0 HB2 ASP A 78 28.862 -1.835 15.463 1.00 0.00 H new ATOM 0 HB3 ASP A 78 27.303 -1.691 16.250 1.00 0.00 H new ATOM 1305 N ASP A 79 26.933 -5.830 16.612 1.00 0.00 N ATOM 1306 CA ASP A 79 25.969 -6.728 17.318 1.00 0.00 C ATOM 1307 C ASP A 79 26.089 -6.769 18.886 1.00 0.00 C ATOM 1308 O ASP A 79 26.348 -7.816 19.486 1.00 0.00 O ATOM 1309 CB ASP A 79 26.032 -8.114 16.609 1.00 0.00 C ATOM 1310 CG ASP A 79 27.393 -8.830 16.555 1.00 0.00 C ATOM 1311 OD1 ASP A 79 28.265 -8.525 15.745 1.00 0.00 O ATOM 1312 OD2 ASP A 79 27.531 -9.809 17.498 1.00 0.00 O ATOM 0 H ASP A 79 27.692 -6.330 16.150 1.00 0.00 H new ATOM 0 HA ASP A 79 24.965 -6.313 17.227 1.00 0.00 H new ATOM 0 HB2 ASP A 79 25.324 -8.777 17.106 1.00 0.00 H new ATOM 0 HB3 ASP A 79 25.681 -7.983 15.585 1.00 0.00 H new ATOM 1318 N ARG A 80 25.836 -5.624 19.547 1.00 0.00 N ATOM 1319 CA ARG A 80 25.956 -5.483 21.031 1.00 0.00 C ATOM 1320 C ARG A 80 24.566 -5.366 21.763 1.00 0.00 C ATOM 1321 O ARG A 80 24.353 -4.472 22.589 1.00 0.00 O ATOM 1322 CB ARG A 80 26.893 -4.277 21.339 1.00 0.00 C ATOM 1323 CG ARG A 80 28.348 -4.311 20.807 1.00 0.00 C ATOM 1324 CD ARG A 80 29.171 -3.122 21.342 1.00 0.00 C ATOM 1325 NE ARG A 80 30.469 -3.023 20.627 1.00 0.00 N ATOM 1326 CZ ARG A 80 31.577 -2.469 21.108 1.00 0.00 C ATOM 1327 NH1 ARG A 80 31.709 -2.007 22.334 1.00 0.00 N ATOM 1328 NH2 ARG A 80 32.600 -2.369 20.306 1.00 0.00 N ATOM 0 H ARG A 80 25.543 -4.766 19.079 1.00 0.00 H new ATOM 0 HA ARG A 80 26.394 -6.397 21.431 1.00 0.00 H new ATOM 0 HB2 ARG A 80 26.417 -3.379 20.944 1.00 0.00 H new ATOM 0 HB3 ARG A 80 26.940 -4.163 22.422 1.00 0.00 H new ATOM 0 HG2 ARG A 80 28.823 -5.246 21.102 1.00 0.00 H new ATOM 0 HG3 ARG A 80 28.339 -4.288 19.717 1.00 0.00 H new ATOM 0 HD2 ARG A 80 28.608 -2.197 21.216 1.00 0.00 H new ATOM 0 HD3 ARG A 80 29.346 -3.245 22.411 1.00 0.00 H new ATOM 0 HE ARG A 80 30.514 -3.414 19.686 1.00 0.00 H new ATOM 0 HH11 ARG A 80 30.927 -2.062 22.987 1.00 0.00 H new ATOM 0 HH12 ARG A 80 32.593 -1.594 22.631 1.00 0.00 H new ATOM 0 HH21 ARG A 80 32.532 -2.710 19.347 1.00 0.00 H new ATOM 0 HH22 ARG A 80 33.469 -1.950 20.637 1.00 0.00 H new ATOM 1342 N LYS A 81 23.632 -6.305 21.503 1.00 0.00 N ATOM 1343 CA LYS A 81 22.299 -6.388 22.183 1.00 0.00 C ATOM 1344 C LYS A 81 21.356 -5.150 21.973 1.00 0.00 C ATOM 1345 O LYS A 81 21.219 -4.279 22.840 1.00 0.00 O ATOM 1346 CB LYS A 81 22.412 -6.839 23.671 1.00 0.00 C ATOM 1347 CG LYS A 81 22.876 -8.299 23.872 1.00 0.00 C ATOM 1348 CD LYS A 81 22.985 -8.696 25.359 1.00 0.00 C ATOM 1349 CE LYS A 81 23.388 -10.163 25.596 1.00 0.00 C ATOM 1350 NZ LYS A 81 24.811 -10.407 25.283 1.00 0.00 N ATOM 0 H LYS A 81 23.773 -7.040 20.810 1.00 0.00 H new ATOM 0 HA LYS A 81 21.778 -7.187 21.654 1.00 0.00 H new ATOM 0 HB2 LYS A 81 23.109 -6.177 24.185 1.00 0.00 H new ATOM 0 HB3 LYS A 81 21.441 -6.712 24.149 1.00 0.00 H new ATOM 0 HG2 LYS A 81 22.176 -8.969 23.373 1.00 0.00 H new ATOM 0 HG3 LYS A 81 23.845 -8.436 23.393 1.00 0.00 H new ATOM 0 HD2 LYS A 81 23.716 -8.048 25.843 1.00 0.00 H new ATOM 0 HD3 LYS A 81 22.026 -8.512 25.843 1.00 0.00 H new ATOM 0 HE2 LYS A 81 23.196 -10.428 26.636 1.00 0.00 H new ATOM 0 HE3 LYS A 81 22.766 -10.813 24.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 25.038 -11.407 25.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 24.991 -10.180 24.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 25.407 -9.806 25.887 1.00 0.00 H new ATOM 1363 N CYS A 82 20.662 -5.125 20.824 1.00 0.00 N ATOM 1364 CA CYS A 82 19.525 -4.201 20.576 1.00 0.00 C ATOM 1365 C CYS A 82 18.239 -5.014 20.244 1.00 0.00 C ATOM 1366 O CYS A 82 18.236 -5.863 19.348 1.00 0.00 O ATOM 1367 CB CYS A 82 19.912 -3.240 19.439 1.00 0.00 C ATOM 1368 SG CYS A 82 21.335 -2.222 19.944 1.00 0.00 S ATOM 0 H CYS A 82 20.867 -5.741 20.037 1.00 0.00 H new ATOM 0 HA CYS A 82 19.308 -3.612 21.467 1.00 0.00 H new ATOM 0 HB2 CYS A 82 20.159 -3.806 18.541 1.00 0.00 H new ATOM 0 HB3 CYS A 82 19.066 -2.600 19.189 1.00 0.00 H new ATOM 0 HG CYS A 82 21.919 -1.738 18.888 1.00 0.00 H new ATOM 1374 N MET A 83 17.134 -4.736 20.955 1.00 0.00 N ATOM 1375 CA MET A 83 15.791 -5.280 20.617 1.00 0.00 C ATOM 1376 C MET A 83 15.176 -4.449 19.445 1.00 0.00 C ATOM 1377 O MET A 83 14.618 -3.365 19.635 1.00 0.00 O ATOM 1378 CB MET A 83 14.917 -5.269 21.902 1.00 0.00 C ATOM 1379 CG MET A 83 15.241 -6.370 22.935 1.00 0.00 C ATOM 1380 SD MET A 83 15.103 -8.022 22.210 1.00 0.00 S ATOM 1381 CE MET A 83 13.321 -8.295 22.233 1.00 0.00 C ATOM 0 H MET A 83 17.137 -4.132 21.777 1.00 0.00 H new ATOM 0 HA MET A 83 15.852 -6.312 20.270 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.025 -4.298 22.386 1.00 0.00 H new ATOM 0 HB3 MET A 83 13.871 -5.365 21.610 1.00 0.00 H new ATOM 0 HG2 MET A 83 16.250 -6.224 23.320 1.00 0.00 H new ATOM 0 HG3 MET A 83 14.561 -6.286 23.783 1.00 0.00 H new ATOM 0 HE1 MET A 83 13.098 -9.276 21.814 1.00 0.00 H new ATOM 0 HE2 MET A 83 12.959 -8.248 23.260 1.00 0.00 H new ATOM 0 HE3 MET A 83 12.827 -7.526 21.639 1.00 0.00 H new ATOM 1391 N THR A 84 15.346 -4.949 18.215 1.00 0.00 N ATOM 1392 CA THR A 84 15.223 -4.130 16.982 1.00 0.00 C ATOM 1393 C THR A 84 13.860 -4.391 16.283 1.00 0.00 C ATOM 1394 O THR A 84 13.599 -5.490 15.787 1.00 0.00 O ATOM 1395 CB THR A 84 16.459 -4.420 16.077 1.00 0.00 C ATOM 1396 OG1 THR A 84 17.631 -3.919 16.719 1.00 0.00 O ATOM 1397 CG2 THR A 84 16.396 -3.751 14.696 1.00 0.00 C ATOM 0 H THR A 84 15.572 -5.927 18.036 1.00 0.00 H new ATOM 0 HA THR A 84 15.225 -3.066 17.217 1.00 0.00 H new ATOM 0 HB THR A 84 16.473 -5.500 15.931 1.00 0.00 H new ATOM 0 HG1 THR A 84 18.361 -3.862 16.068 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.292 -4.002 14.129 1.00 0.00 H new ATOM 0 HG22 THR A 84 15.516 -4.106 14.160 1.00 0.00 H new ATOM 0 HG23 THR A 84 16.335 -2.670 14.818 1.00 0.00 H new ATOM 1405 N THR A 85 13.027 -3.347 16.190 1.00 0.00 N ATOM 1406 CA THR A 85 11.746 -3.399 15.429 1.00 0.00 C ATOM 1407 C THR A 85 11.980 -2.841 13.993 1.00 0.00 C ATOM 1408 O THR A 85 12.377 -1.683 13.824 1.00 0.00 O ATOM 1409 CB THR A 85 10.639 -2.611 16.189 1.00 0.00 C ATOM 1410 OG1 THR A 85 10.433 -3.167 17.480 1.00 0.00 O ATOM 1411 CG2 THR A 85 9.258 -2.633 15.511 1.00 0.00 C ATOM 0 H THR A 85 13.208 -2.445 16.631 1.00 0.00 H new ATOM 0 HA THR A 85 11.404 -4.430 15.341 1.00 0.00 H new ATOM 0 HB THR A 85 11.011 -1.587 16.212 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.736 -2.661 17.947 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.550 -2.060 16.109 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.334 -2.192 14.517 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.911 -3.663 15.426 1.00 0.00 H new ATOM 1419 N VAL A 86 11.682 -3.660 12.972 1.00 0.00 N ATOM 1420 CA VAL A 86 11.644 -3.212 11.546 1.00 0.00 C ATOM 1421 C VAL A 86 10.145 -3.223 11.098 1.00 0.00 C ATOM 1422 O VAL A 86 9.397 -4.153 11.417 1.00 0.00 O ATOM 1423 CB VAL A 86 12.570 -4.080 10.624 1.00 0.00 C ATOM 1424 CG1 VAL A 86 12.664 -3.493 9.199 1.00 0.00 C ATOM 1425 CG2 VAL A 86 14.025 -4.231 11.123 1.00 0.00 C ATOM 0 H VAL A 86 11.460 -4.648 13.096 1.00 0.00 H new ATOM 0 HA VAL A 86 12.046 -2.203 11.453 1.00 0.00 H new ATOM 0 HB VAL A 86 12.088 -5.058 10.638 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.314 -4.121 8.589 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.670 -3.459 8.753 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.075 -2.485 9.247 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.588 -4.847 10.422 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.489 -3.247 11.196 1.00 0.00 H new ATOM 0 HG23 VAL A 86 14.026 -4.706 12.104 1.00 0.00 H new ATOM 1435 N SER A 87 9.670 -2.184 10.392 1.00 0.00 N ATOM 1436 CA SER A 87 8.238 -2.067 9.982 1.00 0.00 C ATOM 1437 C SER A 87 8.065 -1.313 8.626 1.00 0.00 C ATOM 1438 O SER A 87 8.818 -0.390 8.295 1.00 0.00 O ATOM 1439 CB SER A 87 7.430 -1.422 11.133 1.00 0.00 C ATOM 1440 OG SER A 87 7.352 -2.324 12.238 1.00 0.00 O ATOM 0 H SER A 87 10.251 -1.403 10.086 1.00 0.00 H new ATOM 0 HA SER A 87 7.842 -3.066 9.800 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.904 -0.491 11.445 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.428 -1.169 10.788 1.00 0.00 H new ATOM 0 HG SER A 87 7.900 -3.115 12.054 1.00 0.00 H new ATOM 1446 N TRP A 88 7.041 -1.697 7.838 1.00 0.00 N ATOM 1447 CA TRP A 88 6.691 -0.991 6.571 1.00 0.00 C ATOM 1448 C TRP A 88 5.876 0.315 6.860 1.00 0.00 C ATOM 1449 O TRP A 88 4.700 0.274 7.234 1.00 0.00 O ATOM 1450 CB TRP A 88 5.904 -1.933 5.615 1.00 0.00 C ATOM 1451 CG TRP A 88 6.693 -3.062 4.931 1.00 0.00 C ATOM 1452 CD1 TRP A 88 6.438 -4.445 5.070 1.00 0.00 C ATOM 1453 CD2 TRP A 88 7.640 -2.963 3.921 1.00 0.00 C ATOM 1454 NE1 TRP A 88 7.227 -5.220 4.195 1.00 0.00 N ATOM 1455 CE2 TRP A 88 7.946 -4.279 3.477 1.00 0.00 C ATOM 1456 CE3 TRP A 88 8.170 -1.834 3.237 1.00 0.00 C ATOM 1457 CZ2 TRP A 88 8.770 -4.470 2.344 1.00 0.00 C ATOM 1458 CZ3 TRP A 88 8.981 -2.054 2.125 1.00 0.00 C ATOM 1459 CH2 TRP A 88 9.286 -3.351 1.691 1.00 0.00 C ATOM 0 H TRP A 88 6.437 -2.491 8.049 1.00 0.00 H new ATOM 0 HA TRP A 88 7.620 -0.704 6.079 1.00 0.00 H new ATOM 0 HB2 TRP A 88 5.090 -2.385 6.182 1.00 0.00 H new ATOM 0 HB3 TRP A 88 5.449 -1.320 4.837 1.00 0.00 H new ATOM 0 HD1 TRP A 88 5.723 -4.860 5.765 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.260 -6.236 4.111 1.00 0.00 H new ATOM 0 HE3 TRP A 88 7.949 -0.831 3.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 8.996 -5.465 1.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 9.382 -1.208 1.587 1.00 0.00 H new ATOM 0 HH2 TRP A 88 9.932 -3.486 0.836 1.00 0.00 H new ATOM 1470 N ASP A 89 6.507 1.480 6.649 1.00 0.00 N ATOM 1471 CA ASP A 89 5.840 2.809 6.724 1.00 0.00 C ATOM 1472 C ASP A 89 5.198 3.177 5.344 1.00 0.00 C ATOM 1473 O ASP A 89 5.750 3.961 4.563 1.00 0.00 O ATOM 1474 CB ASP A 89 6.950 3.775 7.221 1.00 0.00 C ATOM 1475 CG ASP A 89 6.534 5.215 7.518 1.00 0.00 C ATOM 1476 OD1 ASP A 89 5.404 5.557 7.849 1.00 0.00 O ATOM 1477 OD2 ASP A 89 7.578 6.083 7.395 1.00 0.00 O ATOM 0 H ASP A 89 7.499 1.538 6.420 1.00 0.00 H new ATOM 0 HA ASP A 89 4.995 2.849 7.411 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.384 3.354 8.128 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.740 3.798 6.470 1.00 0.00 H new ATOM 1483 N GLY A 90 4.046 2.548 5.033 1.00 0.00 N ATOM 1484 CA GLY A 90 3.426 2.617 3.681 1.00 0.00 C ATOM 1485 C GLY A 90 4.268 1.968 2.557 1.00 0.00 C ATOM 1486 O GLY A 90 4.285 0.744 2.413 1.00 0.00 O ATOM 0 H GLY A 90 3.519 1.983 5.699 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.452 2.129 3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.250 3.663 3.429 1.00 0.00 H new ATOM 1490 N ASP A 91 4.991 2.805 1.798 1.00 0.00 N ATOM 1491 CA ASP A 91 6.014 2.333 0.814 1.00 0.00 C ATOM 1492 C ASP A 91 7.444 2.041 1.403 1.00 0.00 C ATOM 1493 O ASP A 91 8.150 1.181 0.869 1.00 0.00 O ATOM 1494 CB ASP A 91 6.139 3.321 -0.384 1.00 0.00 C ATOM 1495 CG ASP A 91 4.871 3.856 -1.066 1.00 0.00 C ATOM 1496 OD1 ASP A 91 4.577 5.047 -1.064 1.00 0.00 O ATOM 1497 OD2 ASP A 91 4.126 2.887 -1.677 1.00 0.00 O ATOM 0 H ASP A 91 4.895 3.820 1.837 1.00 0.00 H new ATOM 0 HA ASP A 91 5.629 1.369 0.482 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.710 4.182 -0.037 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.738 2.829 -1.150 1.00 0.00 H new ATOM 1503 N LYS A 92 7.892 2.783 2.436 1.00 0.00 N ATOM 1504 CA LYS A 92 9.305 2.782 2.917 1.00 0.00 C ATOM 1505 C LYS A 92 9.524 1.772 4.088 1.00 0.00 C ATOM 1506 O LYS A 92 8.620 1.528 4.891 1.00 0.00 O ATOM 1507 CB LYS A 92 9.658 4.228 3.378 1.00 0.00 C ATOM 1508 CG LYS A 92 9.596 5.336 2.294 1.00 0.00 C ATOM 1509 CD LYS A 92 9.896 6.756 2.817 1.00 0.00 C ATOM 1510 CE LYS A 92 11.397 7.050 2.952 1.00 0.00 C ATOM 1511 NZ LYS A 92 11.611 8.402 3.501 1.00 0.00 N ATOM 0 H LYS A 92 7.286 3.407 2.969 1.00 0.00 H new ATOM 0 HA LYS A 92 9.957 2.465 2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.980 4.503 4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.664 4.216 3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.307 5.095 1.504 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.604 5.330 1.842 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.449 7.486 2.142 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.419 6.886 3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.862 6.309 3.603 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.879 6.966 1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.631 8.585 3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.185 9.106 2.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.168 8.470 4.439 1.00 0.00 H new ATOM 1524 N LEU A 93 10.731 1.200 4.231 1.00 0.00 N ATOM 1525 CA LEU A 93 11.041 0.261 5.343 1.00 0.00 C ATOM 1526 C LEU A 93 11.786 1.010 6.495 1.00 0.00 C ATOM 1527 O LEU A 93 12.945 1.413 6.347 1.00 0.00 O ATOM 1528 CB LEU A 93 11.836 -0.913 4.720 1.00 0.00 C ATOM 1529 CG LEU A 93 12.088 -2.127 5.643 1.00 0.00 C ATOM 1530 CD1 LEU A 93 10.802 -2.924 5.913 1.00 0.00 C ATOM 1531 CD2 LEU A 93 13.125 -3.057 5.001 1.00 0.00 C ATOM 0 H LEU A 93 11.512 1.365 3.596 1.00 0.00 H new ATOM 0 HA LEU A 93 10.145 -0.142 5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.301 -1.259 3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.800 -0.533 4.381 1.00 0.00 H new ATOM 0 HG LEU A 93 12.455 -1.742 6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.027 -3.767 6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.068 -2.278 6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.398 -3.293 4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.301 -3.912 5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.753 -3.406 4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 93 14.059 -2.514 4.854 1.00 0.00 H new ATOM 1543 N GLN A 94 11.104 1.201 7.635 1.00 0.00 N ATOM 1544 CA GLN A 94 11.676 1.886 8.827 1.00 0.00 C ATOM 1545 C GLN A 94 12.231 0.871 9.870 1.00 0.00 C ATOM 1546 O GLN A 94 11.659 -0.205 10.073 1.00 0.00 O ATOM 1547 CB GLN A 94 10.569 2.755 9.488 1.00 0.00 C ATOM 1548 CG GLN A 94 10.217 4.050 8.733 1.00 0.00 C ATOM 1549 CD GLN A 94 11.325 5.107 8.715 1.00 0.00 C ATOM 1550 OE1 GLN A 94 12.465 4.954 9.145 1.00 0.00 O ATOM 1551 NE2 GLN A 94 11.027 6.216 8.121 1.00 0.00 N ATOM 0 H GLN A 94 10.142 0.889 7.766 1.00 0.00 H new ATOM 0 HA GLN A 94 12.508 2.508 8.496 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.666 2.153 9.585 1.00 0.00 H new ATOM 0 HB3 GLN A 94 10.888 3.016 10.497 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.961 3.796 7.705 1.00 0.00 H new ATOM 0 HG3 GLN A 94 9.326 4.486 9.185 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.086 6.363 7.757 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.733 6.944 8.017 1.00 0.00 H new ATOM 1560 N CYS A 95 13.308 1.244 10.575 1.00 0.00 N ATOM 1561 CA CYS A 95 13.904 0.416 11.650 1.00 0.00 C ATOM 1562 C CYS A 95 14.325 1.281 12.868 1.00 0.00 C ATOM 1563 O CYS A 95 15.047 2.274 12.721 1.00 0.00 O ATOM 1564 CB CYS A 95 15.114 -0.330 11.062 1.00 0.00 C ATOM 1565 SG CYS A 95 15.995 -1.294 12.340 1.00 0.00 S ATOM 0 H CYS A 95 13.796 2.127 10.421 1.00 0.00 H new ATOM 0 HA CYS A 95 13.164 -0.296 12.014 1.00 0.00 H new ATOM 0 HB2 CYS A 95 14.780 -0.997 10.268 1.00 0.00 H new ATOM 0 HB3 CYS A 95 15.799 0.387 10.609 1.00 0.00 H new ATOM 0 HG CYS A 95 17.126 -1.719 11.860 1.00 0.00 H new ATOM 1571 N VAL A 96 13.928 0.851 14.078 1.00 0.00 N ATOM 1572 CA VAL A 96 14.477 1.392 15.356 1.00 0.00 C ATOM 1573 C VAL A 96 15.281 0.260 16.082 1.00 0.00 C ATOM 1574 O VAL A 96 14.746 -0.812 16.386 1.00 0.00 O ATOM 1575 CB VAL A 96 13.357 2.073 16.214 1.00 0.00 C ATOM 1576 CG1 VAL A 96 12.226 1.142 16.711 1.00 0.00 C ATOM 1577 CG2 VAL A 96 13.935 2.838 17.425 1.00 0.00 C ATOM 0 H VAL A 96 13.224 0.125 14.209 1.00 0.00 H new ATOM 0 HA VAL A 96 15.184 2.199 15.164 1.00 0.00 H new ATOM 0 HB VAL A 96 12.901 2.763 15.504 1.00 0.00 H new ATOM 0 HG11 VAL A 96 11.508 1.720 17.293 1.00 0.00 H new ATOM 0 HG12 VAL A 96 11.722 0.693 15.855 1.00 0.00 H new ATOM 0 HG13 VAL A 96 12.650 0.356 17.335 1.00 0.00 H new ATOM 0 HG21 VAL A 96 13.121 3.293 17.990 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.479 2.145 18.067 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.613 3.616 17.074 1.00 0.00 H new ATOM 1587 N GLN A 97 16.574 0.505 16.355 1.00 0.00 N ATOM 1588 CA GLN A 97 17.477 -0.483 17.011 1.00 0.00 C ATOM 1589 C GLN A 97 17.665 -0.126 18.525 1.00 0.00 C ATOM 1590 O GLN A 97 18.707 0.396 18.935 1.00 0.00 O ATOM 1591 CB GLN A 97 18.824 -0.507 16.230 1.00 0.00 C ATOM 1592 CG GLN A 97 18.794 -0.931 14.737 1.00 0.00 C ATOM 1593 CD GLN A 97 20.168 -1.012 14.073 1.00 0.00 C ATOM 1594 OE1 GLN A 97 20.583 -0.019 13.323 1.00 0.00 O flip ATOM 1595 NE2 GLN A 97 20.892 -1.989 14.236 1.00 0.00 N flip ATOM 0 H GLN A 97 17.031 1.389 16.131 1.00 0.00 H new ATOM 0 HA GLN A 97 17.044 -1.483 16.983 1.00 0.00 H new ATOM 0 HB2 GLN A 97 19.260 0.491 16.285 1.00 0.00 H new ATOM 0 HB3 GLN A 97 19.502 -1.180 16.755 1.00 0.00 H new ATOM 0 HG2 GLN A 97 18.309 -1.904 14.658 1.00 0.00 H new ATOM 0 HG3 GLN A 97 18.178 -0.222 14.183 1.00 0.00 H new ATOM 0 HE21 GLN A 97 20.577 -2.766 14.818 1.00 0.00 H new ATOM 0 HE22 GLN A 97 21.809 -2.025 13.790 1.00 0.00 H new ATOM 1604 N LYS A 98 16.646 -0.393 19.364 1.00 0.00 N ATOM 1605 CA LYS A 98 16.615 0.090 20.776 1.00 0.00 C ATOM 1606 C LYS A 98 17.240 -0.921 21.793 1.00 0.00 C ATOM 1607 O LYS A 98 16.893 -2.103 21.834 1.00 0.00 O ATOM 1608 CB LYS A 98 15.177 0.547 21.159 1.00 0.00 C ATOM 1609 CG LYS A 98 14.076 -0.539 21.179 1.00 0.00 C ATOM 1610 CD LYS A 98 12.673 -0.098 21.654 1.00 0.00 C ATOM 1611 CE LYS A 98 11.808 0.675 20.641 1.00 0.00 C ATOM 1612 NZ LYS A 98 12.152 2.109 20.582 1.00 0.00 N ATOM 0 H LYS A 98 15.828 -0.941 19.097 1.00 0.00 H new ATOM 0 HA LYS A 98 17.265 0.963 20.840 1.00 0.00 H new ATOM 0 HB2 LYS A 98 15.219 1.005 22.147 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.872 1.326 20.460 1.00 0.00 H new ATOM 0 HG2 LYS A 98 13.982 -0.946 20.172 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.412 -1.353 21.822 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.123 -0.988 21.961 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.795 0.524 22.541 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.931 0.234 19.652 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.757 0.568 20.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.340 2.646 20.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.389 2.449 21.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.969 2.244 19.953 1.00 0.00 H new ATOM 1625 N GLY A 99 18.154 -0.435 22.639 1.00 0.00 N ATOM 1626 CA GLY A 99 18.786 -1.265 23.699 1.00 0.00 C ATOM 1627 C GLY A 99 20.044 -0.610 24.285 1.00 0.00 C ATOM 1628 O GLY A 99 19.937 0.207 25.201 1.00 0.00 O ATOM 0 H GLY A 99 18.481 0.531 22.619 1.00 0.00 H new ATOM 0 HA2 GLY A 99 18.065 -1.439 24.498 1.00 0.00 H new ATOM 0 HA3 GLY A 99 19.046 -2.240 23.286 1.00 0.00 H new ATOM 1632 N GLU A 100 21.230 -0.952 23.755 1.00 0.00 N ATOM 1633 CA GLU A 100 22.515 -0.345 24.217 1.00 0.00 C ATOM 1634 C GLU A 100 22.752 1.150 23.792 1.00 0.00 C ATOM 1635 O GLU A 100 23.181 1.948 24.629 1.00 0.00 O ATOM 1636 CB GLU A 100 23.674 -1.296 23.799 1.00 0.00 C ATOM 1637 CG GLU A 100 25.034 -0.966 24.469 1.00 0.00 C ATOM 1638 CD GLU A 100 26.204 -1.839 24.029 1.00 0.00 C ATOM 1639 OE1 GLU A 100 27.109 -1.442 23.300 1.00 0.00 O ATOM 1640 OE2 GLU A 100 26.133 -3.097 24.555 1.00 0.00 O ATOM 0 H GLU A 100 21.338 -1.640 23.010 1.00 0.00 H new ATOM 0 HA GLU A 100 22.470 -0.260 25.303 1.00 0.00 H new ATOM 0 HB2 GLU A 100 23.397 -2.321 24.048 1.00 0.00 H new ATOM 0 HB3 GLU A 100 23.794 -1.252 22.716 1.00 0.00 H new ATOM 0 HG2 GLU A 100 25.280 0.075 24.261 1.00 0.00 H new ATOM 0 HG3 GLU A 100 24.920 -1.057 25.549 1.00 0.00 H new ATOM 1648 N LYS A 101 22.524 1.518 22.517 1.00 0.00 N ATOM 1649 CA LYS A 101 22.805 2.888 22.000 1.00 0.00 C ATOM 1650 C LYS A 101 21.523 3.769 21.884 1.00 0.00 C ATOM 1651 O LYS A 101 20.457 3.308 21.458 1.00 0.00 O ATOM 1652 CB LYS A 101 23.506 2.770 20.616 1.00 0.00 C ATOM 1653 CG LYS A 101 24.963 2.248 20.618 1.00 0.00 C ATOM 1654 CD LYS A 101 25.974 3.252 21.203 1.00 0.00 C ATOM 1655 CE LYS A 101 27.421 2.747 21.163 1.00 0.00 C ATOM 1656 NZ LYS A 101 28.302 3.782 21.739 1.00 0.00 N ATOM 0 H LYS A 101 22.143 0.885 21.814 1.00 0.00 H new ATOM 0 HA LYS A 101 23.456 3.388 22.717 1.00 0.00 H new ATOM 0 HB2 LYS A 101 22.909 2.110 19.987 1.00 0.00 H new ATOM 0 HB3 LYS A 101 23.497 3.753 20.145 1.00 0.00 H new ATOM 0 HG2 LYS A 101 25.008 1.323 21.192 1.00 0.00 H new ATOM 0 HG3 LYS A 101 25.255 2.004 19.596 1.00 0.00 H new ATOM 0 HD2 LYS A 101 25.908 4.188 20.649 1.00 0.00 H new ATOM 0 HD3 LYS A 101 25.701 3.472 22.235 1.00 0.00 H new ATOM 0 HE2 LYS A 101 27.512 1.818 21.726 1.00 0.00 H new ATOM 0 HE3 LYS A 101 27.716 2.528 20.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 29.294 3.487 21.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 28.156 4.681 21.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 28.077 3.908 22.746 1.00 0.00 H new ATOM 1669 N GLU A 102 21.663 5.077 22.180 1.00 0.00 N ATOM 1670 CA GLU A 102 20.635 6.094 21.815 1.00 0.00 C ATOM 1671 C GLU A 102 20.683 6.466 20.295 1.00 0.00 C ATOM 1672 O GLU A 102 21.705 6.274 19.628 1.00 0.00 O ATOM 1673 CB GLU A 102 20.749 7.305 22.782 1.00 0.00 C ATOM 1674 CG GLU A 102 22.011 8.207 22.694 1.00 0.00 C ATOM 1675 CD GLU A 102 22.023 9.310 21.626 1.00 0.00 C ATOM 1676 OE1 GLU A 102 21.042 9.671 20.982 1.00 0.00 O ATOM 1677 OE2 GLU A 102 23.269 9.831 21.450 1.00 0.00 O ATOM 0 H GLU A 102 22.472 5.461 22.669 1.00 0.00 H new ATOM 0 HA GLU A 102 19.638 5.673 21.945 1.00 0.00 H new ATOM 0 HB2 GLU A 102 19.877 7.939 22.624 1.00 0.00 H new ATOM 0 HB3 GLU A 102 20.685 6.923 23.801 1.00 0.00 H new ATOM 0 HG2 GLU A 102 22.155 8.679 23.666 1.00 0.00 H new ATOM 0 HG3 GLU A 102 22.873 7.563 22.521 1.00 0.00 H new ATOM 1685 N GLY A 103 19.567 6.955 19.726 1.00 0.00 N ATOM 1686 CA GLY A 103 19.513 7.340 18.280 1.00 0.00 C ATOM 1687 C GLY A 103 19.749 6.278 17.173 1.00 0.00 C ATOM 1688 O GLY A 103 19.950 6.660 16.019 1.00 0.00 O ATOM 0 H GLY A 103 18.691 7.097 20.229 1.00 0.00 H new ATOM 0 HA2 GLY A 103 18.532 7.779 18.100 1.00 0.00 H new ATOM 0 HA3 GLY A 103 20.248 8.130 18.130 1.00 0.00 H new ATOM 1692 N ARG A 104 19.748 4.976 17.506 1.00 0.00 N ATOM 1693 CA ARG A 104 20.125 3.898 16.564 1.00 0.00 C ATOM 1694 C ARG A 104 18.911 3.384 15.722 1.00 0.00 C ATOM 1695 O ARG A 104 17.852 3.036 16.254 1.00 0.00 O ATOM 1696 CB ARG A 104 20.880 2.802 17.363 1.00 0.00 C ATOM 1697 CG ARG A 104 21.728 1.858 16.474 1.00 0.00 C ATOM 1698 CD ARG A 104 22.325 0.675 17.257 1.00 0.00 C ATOM 1699 NE ARG A 104 22.779 -0.384 16.317 1.00 0.00 N ATOM 1700 CZ ARG A 104 23.612 -1.377 16.617 1.00 0.00 C ATOM 1701 NH1 ARG A 104 24.243 -1.501 17.765 1.00 0.00 N ATOM 1702 NH2 ARG A 104 23.813 -2.292 15.711 1.00 0.00 N ATOM 0 H ARG A 104 19.487 4.638 18.432 1.00 0.00 H new ATOM 0 HA ARG A 104 20.803 4.280 15.801 1.00 0.00 H new ATOM 0 HB2 ARG A 104 21.531 3.281 18.094 1.00 0.00 H new ATOM 0 HB3 ARG A 104 20.156 2.208 17.922 1.00 0.00 H new ATOM 0 HG2 ARG A 104 21.107 1.475 15.664 1.00 0.00 H new ATOM 0 HG3 ARG A 104 22.536 2.428 16.015 1.00 0.00 H new ATOM 0 HD2 ARG A 104 23.163 1.017 17.864 1.00 0.00 H new ATOM 0 HD3 ARG A 104 21.580 0.269 17.942 1.00 0.00 H new ATOM 0 HE ARG A 104 22.422 -0.346 15.362 1.00 0.00 H new ATOM 0 HH11 ARG A 104 24.108 -0.806 18.499 1.00 0.00 H new ATOM 0 HH12 ARG A 104 24.867 -2.292 17.921 1.00 0.00 H new ATOM 0 HH21 ARG A 104 23.339 -2.231 14.810 1.00 0.00 H new ATOM 0 HH22 ARG A 104 24.445 -3.070 15.903 1.00 0.00 H new ATOM 1716 N GLY A 105 19.086 3.331 14.395 1.00 0.00 N ATOM 1717 CA GLY A 105 17.999 2.952 13.456 1.00 0.00 C ATOM 1718 C GLY A 105 18.409 2.996 11.968 1.00 0.00 C ATOM 1719 O GLY A 105 19.572 3.222 11.622 1.00 0.00 O ATOM 0 H GLY A 105 19.972 3.545 13.937 1.00 0.00 H new ATOM 0 HA2 GLY A 105 17.658 1.945 13.698 1.00 0.00 H new ATOM 0 HA3 GLY A 105 17.152 3.621 13.609 1.00 0.00 H new ATOM 1723 N TRP A 106 17.435 2.800 11.070 1.00 0.00 N ATOM 1724 CA TRP A 106 17.636 2.996 9.600 1.00 0.00 C ATOM 1725 C TRP A 106 16.303 3.213 8.810 1.00 0.00 C ATOM 1726 O TRP A 106 15.221 2.799 9.230 1.00 0.00 O ATOM 1727 CB TRP A 106 18.602 1.956 8.941 1.00 0.00 C ATOM 1728 CG TRP A 106 18.309 0.458 9.063 1.00 0.00 C ATOM 1729 CD1 TRP A 106 18.982 -0.427 9.932 1.00 0.00 C ATOM 1730 CD2 TRP A 106 17.397 -0.319 8.376 1.00 0.00 C ATOM 1731 NE1 TRP A 106 18.500 -1.745 9.818 1.00 0.00 N ATOM 1732 CE2 TRP A 106 17.513 -1.652 8.853 1.00 0.00 C ATOM 1733 CE3 TRP A 106 16.407 0.018 7.422 1.00 0.00 C ATOM 1734 CZ2 TRP A 106 16.625 -2.649 8.391 1.00 0.00 C ATOM 1735 CZ3 TRP A 106 15.532 -0.977 6.994 1.00 0.00 C ATOM 1736 CH2 TRP A 106 15.645 -2.293 7.463 1.00 0.00 C ATOM 0 H TRP A 106 16.492 2.505 11.322 1.00 0.00 H new ATOM 0 HA TRP A 106 18.168 3.944 9.519 1.00 0.00 H new ATOM 0 HB2 TRP A 106 18.656 2.191 7.878 1.00 0.00 H new ATOM 0 HB3 TRP A 106 19.595 2.127 9.356 1.00 0.00 H new ATOM 0 HD1 TRP A 106 19.773 -0.129 10.605 1.00 0.00 H new ATOM 0 HE1 TRP A 106 18.807 -2.574 10.327 1.00 0.00 H new ATOM 0 HE3 TRP A 106 16.332 1.024 7.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 16.703 -3.665 8.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 14.753 -0.730 6.288 1.00 0.00 H new ATOM 0 HH2 TRP A 106 14.961 -3.046 7.100 1.00 0.00 H new ATOM 1747 N THR A 107 16.400 3.855 7.633 1.00 0.00 N ATOM 1748 CA THR A 107 15.247 4.076 6.711 1.00 0.00 C ATOM 1749 C THR A 107 15.658 3.608 5.277 1.00 0.00 C ATOM 1750 O THR A 107 16.599 4.158 4.694 1.00 0.00 O ATOM 1751 CB THR A 107 14.828 5.578 6.737 1.00 0.00 C ATOM 1752 OG1 THR A 107 14.527 6.022 8.058 1.00 0.00 O ATOM 1753 CG2 THR A 107 13.596 5.892 5.879 1.00 0.00 C ATOM 0 H THR A 107 17.277 4.240 7.284 1.00 0.00 H new ATOM 0 HA THR A 107 14.382 3.494 7.030 1.00 0.00 H new ATOM 0 HB THR A 107 15.695 6.098 6.329 1.00 0.00 H new ATOM 0 HG1 THR A 107 14.006 5.335 8.523 1.00 0.00 H new ATOM 0 HG21 THR A 107 13.366 6.955 5.948 1.00 0.00 H new ATOM 0 HG22 THR A 107 13.800 5.631 4.840 1.00 0.00 H new ATOM 0 HG23 THR A 107 12.745 5.313 6.238 1.00 0.00 H new ATOM 1761 N GLN A 108 14.951 2.613 4.707 1.00 0.00 N ATOM 1762 CA GLN A 108 15.312 1.999 3.394 1.00 0.00 C ATOM 1763 C GLN A 108 14.146 2.091 2.359 1.00 0.00 C ATOM 1764 O GLN A 108 12.999 1.741 2.652 1.00 0.00 O ATOM 1765 CB GLN A 108 15.748 0.535 3.665 1.00 0.00 C ATOM 1766 CG GLN A 108 16.505 -0.148 2.498 1.00 0.00 C ATOM 1767 CD GLN A 108 17.237 -1.456 2.837 1.00 0.00 C ATOM 1768 OE1 GLN A 108 18.460 -1.534 2.842 1.00 0.00 O ATOM 1769 NE2 GLN A 108 16.541 -2.530 3.114 1.00 0.00 N ATOM 0 H GLN A 108 14.117 2.208 5.132 1.00 0.00 H new ATOM 0 HA GLN A 108 16.135 2.550 2.939 1.00 0.00 H new ATOM 0 HB2 GLN A 108 16.384 0.519 4.550 1.00 0.00 H new ATOM 0 HB3 GLN A 108 14.862 -0.055 3.899 1.00 0.00 H new ATOM 0 HG2 GLN A 108 15.791 -0.352 1.700 1.00 0.00 H new ATOM 0 HG3 GLN A 108 17.233 0.559 2.102 1.00 0.00 H new ATOM 0 HE21 GLN A 108 15.522 -2.491 3.116 1.00 0.00 H new ATOM 0 HE22 GLN A 108 17.018 -3.406 3.328 1.00 0.00 H new ATOM 1778 N TRP A 109 14.447 2.544 1.130 1.00 0.00 N ATOM 1779 CA TRP A 109 13.439 2.690 0.034 1.00 0.00 C ATOM 1780 C TRP A 109 14.067 2.464 -1.387 1.00 0.00 C ATOM 1781 O TRP A 109 15.291 2.401 -1.537 1.00 0.00 O ATOM 1782 CB TRP A 109 12.678 4.043 0.210 1.00 0.00 C ATOM 1783 CG TRP A 109 13.438 5.334 -0.137 1.00 0.00 C ATOM 1784 CD1 TRP A 109 13.399 5.979 -1.386 1.00 0.00 C ATOM 1785 CD2 TRP A 109 14.307 6.081 0.637 1.00 0.00 C ATOM 1786 NE1 TRP A 109 14.244 7.104 -1.428 1.00 0.00 N ATOM 1787 CE2 TRP A 109 14.784 7.156 -0.155 1.00 0.00 C ATOM 1788 CE3 TRP A 109 14.755 5.920 1.972 1.00 0.00 C ATOM 1789 CZ2 TRP A 109 15.720 8.069 0.377 1.00 0.00 C ATOM 1790 CZ3 TRP A 109 15.679 6.834 2.479 1.00 0.00 C ATOM 1791 CH2 TRP A 109 16.155 7.893 1.692 1.00 0.00 C ATOM 0 H TRP A 109 15.389 2.822 0.856 1.00 0.00 H new ATOM 0 HA TRP A 109 12.695 1.897 0.110 1.00 0.00 H new ATOM 0 HB2 TRP A 109 11.779 4.006 -0.405 1.00 0.00 H new ATOM 0 HB3 TRP A 109 12.352 4.113 1.248 1.00 0.00 H new ATOM 0 HD1 TRP A 109 12.792 5.650 -2.216 1.00 0.00 H new ATOM 0 HE1 TRP A 109 14.417 7.733 -2.212 1.00 0.00 H new ATOM 0 HE3 TRP A 109 14.389 5.108 2.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 16.092 8.887 -0.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 16.033 6.724 3.493 1.00 0.00 H new ATOM 0 HH2 TRP A 109 16.871 8.585 2.111 1.00 0.00 H new ATOM 1802 N ILE A 110 13.234 2.345 -2.443 1.00 0.00 N ATOM 1803 CA ILE A 110 13.727 2.183 -3.854 1.00 0.00 C ATOM 1804 C ILE A 110 13.319 3.410 -4.737 1.00 0.00 C ATOM 1805 O ILE A 110 12.263 4.036 -4.575 1.00 0.00 O ATOM 1806 CB ILE A 110 13.336 0.772 -4.446 1.00 0.00 C ATOM 1807 CG1 ILE A 110 14.064 -0.384 -3.698 1.00 0.00 C ATOM 1808 CG2 ILE A 110 13.605 0.604 -5.972 1.00 0.00 C ATOM 1809 CD1 ILE A 110 13.538 -1.798 -3.982 1.00 0.00 C ATOM 0 H ILE A 110 12.217 2.356 -2.360 1.00 0.00 H new ATOM 0 HA ILE A 110 14.817 2.186 -3.854 1.00 0.00 H new ATOM 0 HB ILE A 110 12.258 0.719 -4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 110 15.122 -0.351 -3.959 1.00 0.00 H new ATOM 0 HG13 ILE A 110 13.994 -0.199 -2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 110 13.305 -0.396 -6.286 1.00 0.00 H new ATOM 0 HG22 ILE A 110 13.031 1.346 -6.527 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.667 0.744 -6.172 1.00 0.00 H new ATOM 0 HD11 ILE A 110 14.117 -2.523 -3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 110 12.489 -1.861 -3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 110 13.634 -2.015 -5.046 1.00 0.00 H new ATOM 1821 N GLU A 111 14.212 3.762 -5.679 1.00 0.00 N ATOM 1822 CA GLU A 111 14.023 4.892 -6.627 1.00 0.00 C ATOM 1823 C GLU A 111 14.468 4.421 -8.043 1.00 0.00 C ATOM 1824 O GLU A 111 15.645 4.496 -8.413 1.00 0.00 O ATOM 1825 CB GLU A 111 14.798 6.135 -6.104 1.00 0.00 C ATOM 1826 CG GLU A 111 14.302 6.700 -4.758 1.00 0.00 C ATOM 1827 CD GLU A 111 12.969 7.445 -4.789 1.00 0.00 C ATOM 1828 OE1 GLU A 111 12.887 8.664 -4.902 1.00 0.00 O ATOM 1829 OE2 GLU A 111 11.894 6.605 -4.660 1.00 0.00 O ATOM 0 H GLU A 111 15.096 3.270 -5.811 1.00 0.00 H new ATOM 0 HA GLU A 111 12.978 5.194 -6.701 1.00 0.00 H new ATOM 0 HB2 GLU A 111 15.851 5.871 -6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.738 6.923 -6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.217 5.875 -4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.063 7.376 -4.369 1.00 0.00 H new ATOM 1837 N GLY A 112 13.512 3.874 -8.815 1.00 0.00 N ATOM 1838 CA GLY A 112 13.797 3.257 -10.141 1.00 0.00 C ATOM 1839 C GLY A 112 14.552 1.910 -10.063 1.00 0.00 C ATOM 1840 O GLY A 112 14.012 0.921 -9.563 1.00 0.00 O ATOM 0 H GLY A 112 12.528 3.842 -8.549 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.855 3.103 -10.668 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.384 3.956 -10.736 1.00 0.00 H new ATOM 1844 N ASP A 113 15.812 1.896 -10.519 1.00 0.00 N ATOM 1845 CA ASP A 113 16.757 0.762 -10.266 1.00 0.00 C ATOM 1846 C ASP A 113 17.718 0.908 -9.025 1.00 0.00 C ATOM 1847 O ASP A 113 18.697 0.160 -8.933 1.00 0.00 O ATOM 1848 CB ASP A 113 17.518 0.471 -11.594 1.00 0.00 C ATOM 1849 CG ASP A 113 18.570 1.490 -12.063 1.00 0.00 C ATOM 1850 OD1 ASP A 113 18.559 2.684 -11.777 1.00 0.00 O ATOM 1851 OD2 ASP A 113 19.529 0.911 -12.835 1.00 0.00 O ATOM 0 H ASP A 113 16.217 2.654 -11.069 1.00 0.00 H new ATOM 0 HA ASP A 113 16.154 -0.094 -9.964 1.00 0.00 H new ATOM 0 HB2 ASP A 113 18.012 -0.495 -11.491 1.00 0.00 H new ATOM 0 HB3 ASP A 113 16.777 0.367 -12.387 1.00 0.00 H new ATOM 1857 N GLU A 114 17.470 1.838 -8.082 1.00 0.00 N ATOM 1858 CA GLU A 114 18.414 2.158 -6.978 1.00 0.00 C ATOM 1859 C GLU A 114 17.774 1.923 -5.579 1.00 0.00 C ATOM 1860 O GLU A 114 16.640 2.335 -5.332 1.00 0.00 O ATOM 1861 CB GLU A 114 18.881 3.628 -7.125 1.00 0.00 C ATOM 1862 CG GLU A 114 19.792 3.892 -8.352 1.00 0.00 C ATOM 1863 CD GLU A 114 20.893 4.909 -8.105 1.00 0.00 C ATOM 1864 OE1 GLU A 114 20.935 6.018 -8.629 1.00 0.00 O ATOM 1865 OE2 GLU A 114 21.828 4.428 -7.236 1.00 0.00 O ATOM 0 H GLU A 114 16.613 2.391 -8.059 1.00 0.00 H new ATOM 0 HA GLU A 114 19.271 1.488 -7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 114 18.003 4.270 -7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.417 3.918 -6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 114 20.246 2.951 -8.662 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.174 4.237 -9.181 1.00 0.00 H new ATOM 1873 N LEU A 115 18.529 1.308 -4.653 1.00 0.00 N ATOM 1874 CA LEU A 115 18.123 1.183 -3.223 1.00 0.00 C ATOM 1875 C LEU A 115 18.815 2.321 -2.405 1.00 0.00 C ATOM 1876 O LEU A 115 20.042 2.469 -2.408 1.00 0.00 O ATOM 1877 CB LEU A 115 18.458 -0.261 -2.756 1.00 0.00 C ATOM 1878 CG LEU A 115 18.217 -0.629 -1.268 1.00 0.00 C ATOM 1879 CD1 LEU A 115 16.762 -1.076 -1.036 1.00 0.00 C ATOM 1880 CD2 LEU A 115 19.179 -1.745 -0.826 1.00 0.00 C ATOM 0 H LEU A 115 19.433 0.883 -4.862 1.00 0.00 H new ATOM 0 HA LEU A 115 17.053 1.318 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 115 17.876 -0.951 -3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 115 19.509 -0.447 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 115 18.405 0.263 -0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 115 16.622 -1.328 0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 115 16.085 -0.267 -1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 115 16.548 -1.951 -1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 115 18.996 -1.990 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 115 19.016 -2.631 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 115 20.208 -1.406 -0.944 1.00 0.00 H new ATOM 1892 N HIS A 116 18.003 3.133 -1.720 1.00 0.00 N ATOM 1893 CA HIS A 116 18.477 4.310 -0.945 1.00 0.00 C ATOM 1894 C HIS A 116 18.270 4.025 0.574 1.00 0.00 C ATOM 1895 O HIS A 116 17.154 3.754 1.031 1.00 0.00 O ATOM 1896 CB HIS A 116 17.700 5.569 -1.416 1.00 0.00 C ATOM 1897 CG HIS A 116 18.159 6.188 -2.741 1.00 0.00 C ATOM 1898 ND1 HIS A 116 18.023 5.583 -3.986 1.00 0.00 N ATOM 1899 CD2 HIS A 116 18.784 7.441 -2.868 1.00 0.00 C ATOM 1900 CE1 HIS A 116 18.623 6.541 -4.763 1.00 0.00 C ATOM 1901 NE2 HIS A 116 19.101 7.688 -4.191 1.00 0.00 N ATOM 0 H HIS A 116 16.992 3.001 -1.680 1.00 0.00 H new ATOM 0 HA HIS A 116 19.539 4.492 -1.112 1.00 0.00 H new ATOM 0 HB2 HIS A 116 16.646 5.308 -1.506 1.00 0.00 H new ATOM 0 HB3 HIS A 116 17.774 6.329 -0.638 1.00 0.00 H new ATOM 0 HD2 HIS A 116 18.988 8.115 -2.049 1.00 0.00 H new ATOM 0 HE1 HIS A 116 18.718 6.389 -5.828 1.00 0.00 H new ATOM 0 HE2 HIS A 116 19.559 8.493 -4.618 1.00 0.00 H new ATOM 1909 N LEU A 117 19.368 4.071 1.341 1.00 0.00 N ATOM 1910 CA LEU A 117 19.389 3.672 2.774 1.00 0.00 C ATOM 1911 C LEU A 117 20.029 4.807 3.634 1.00 0.00 C ATOM 1912 O LEU A 117 21.201 5.153 3.461 1.00 0.00 O ATOM 1913 CB LEU A 117 20.155 2.321 2.856 1.00 0.00 C ATOM 1914 CG LEU A 117 20.415 1.747 4.273 1.00 0.00 C ATOM 1915 CD1 LEU A 117 19.140 1.295 4.997 1.00 0.00 C ATOM 1916 CD2 LEU A 117 21.381 0.561 4.180 1.00 0.00 C ATOM 0 H LEU A 117 20.274 4.385 0.994 1.00 0.00 H new ATOM 0 HA LEU A 117 18.387 3.529 3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 117 19.596 1.579 2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 117 21.117 2.446 2.359 1.00 0.00 H new ATOM 0 HG LEU A 117 20.844 2.560 4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 117 19.399 0.905 5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 117 18.465 2.143 5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 117 18.649 0.515 4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 117 21.562 0.160 5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 117 20.945 -0.215 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 117 22.324 0.893 3.746 1.00 0.00 H new ATOM 1928 N GLU A 118 19.276 5.342 4.608 1.00 0.00 N ATOM 1929 CA GLU A 118 19.824 6.282 5.629 1.00 0.00 C ATOM 1930 C GLU A 118 19.965 5.532 6.986 1.00 0.00 C ATOM 1931 O GLU A 118 18.951 5.148 7.575 1.00 0.00 O ATOM 1932 CB GLU A 118 18.905 7.525 5.775 1.00 0.00 C ATOM 1933 CG GLU A 118 18.827 8.438 4.529 1.00 0.00 C ATOM 1934 CD GLU A 118 18.015 9.709 4.757 1.00 0.00 C ATOM 1935 OE1 GLU A 118 16.842 9.835 4.416 1.00 0.00 O ATOM 1936 OE2 GLU A 118 18.747 10.676 5.384 1.00 0.00 O ATOM 0 H GLU A 118 18.281 5.146 4.720 1.00 0.00 H new ATOM 0 HA GLU A 118 20.805 6.634 5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 118 17.899 7.186 6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 118 19.256 8.119 6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 118 19.837 8.711 4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 118 18.386 7.878 3.705 1.00 0.00 H new ATOM 1944 N MET A 119 21.195 5.321 7.487 1.00 0.00 N ATOM 1945 CA MET A 119 21.431 4.591 8.769 1.00 0.00 C ATOM 1946 C MET A 119 21.857 5.564 9.908 1.00 0.00 C ATOM 1947 O MET A 119 22.747 6.402 9.736 1.00 0.00 O ATOM 1948 CB MET A 119 22.468 3.452 8.627 1.00 0.00 C ATOM 1949 CG MET A 119 22.236 2.400 7.528 1.00 0.00 C ATOM 1950 SD MET A 119 23.370 1.012 7.737 1.00 0.00 S ATOM 1951 CE MET A 119 24.910 1.789 7.227 1.00 0.00 C ATOM 0 H MET A 119 22.049 5.642 7.031 1.00 0.00 H new ATOM 0 HA MET A 119 20.478 4.134 9.034 1.00 0.00 H new ATOM 0 HB2 MET A 119 23.443 3.907 8.454 1.00 0.00 H new ATOM 0 HB3 MET A 119 22.525 2.931 9.582 1.00 0.00 H new ATOM 0 HG2 MET A 119 21.206 2.045 7.567 1.00 0.00 H new ATOM 0 HG3 MET A 119 22.381 2.852 6.547 1.00 0.00 H new ATOM 0 HE1 MET A 119 25.638 1.020 6.970 1.00 0.00 H new ATOM 0 HE2 MET A 119 24.728 2.421 6.358 1.00 0.00 H new ATOM 0 HE3 MET A 119 25.298 2.398 8.043 1.00 0.00 H new ATOM 1961 N ARG A 120 21.214 5.435 11.076 1.00 0.00 N ATOM 1962 CA ARG A 120 21.362 6.384 12.210 1.00 0.00 C ATOM 1963 C ARG A 120 22.027 5.699 13.444 1.00 0.00 C ATOM 1964 O ARG A 120 21.716 4.547 13.762 1.00 0.00 O ATOM 1965 CB ARG A 120 19.962 6.939 12.590 1.00 0.00 C ATOM 1966 CG ARG A 120 19.274 7.881 11.570 1.00 0.00 C ATOM 1967 CD ARG A 120 18.469 7.230 10.426 1.00 0.00 C ATOM 1968 NE ARG A 120 17.326 6.394 10.890 1.00 0.00 N ATOM 1969 CZ ARG A 120 16.070 6.807 11.047 1.00 0.00 C ATOM 1970 NH1 ARG A 120 15.671 8.050 10.883 1.00 0.00 N ATOM 1971 NH2 ARG A 120 15.178 5.920 11.391 1.00 0.00 N ATOM 0 H ARG A 120 20.571 4.668 11.271 1.00 0.00 H new ATOM 0 HA ARG A 120 22.014 7.201 11.901 1.00 0.00 H new ATOM 0 HB2 ARG A 120 19.300 6.092 12.768 1.00 0.00 H new ATOM 0 HB3 ARG A 120 20.056 7.474 13.535 1.00 0.00 H new ATOM 0 HG2 ARG A 120 18.602 8.539 12.121 1.00 0.00 H new ATOM 0 HG3 ARG A 120 20.043 8.511 11.123 1.00 0.00 H new ATOM 0 HD2 ARG A 120 18.090 8.014 9.770 1.00 0.00 H new ATOM 0 HD3 ARG A 120 19.140 6.612 9.829 1.00 0.00 H new ATOM 0 HE ARG A 120 17.524 5.417 11.107 1.00 0.00 H new ATOM 0 HH11 ARG A 120 16.343 8.770 10.618 1.00 0.00 H new ATOM 0 HH12 ARG A 120 14.690 8.293 11.021 1.00 0.00 H new ATOM 0 HH21 ARG A 120 15.453 4.948 11.530 1.00 0.00 H new ATOM 0 HH22 ARG A 120 14.205 6.199 11.521 1.00 0.00 H new ATOM 1985 N ALA A 121 22.917 6.417 14.155 1.00 0.00 N ATOM 1986 CA ALA A 121 23.474 5.964 15.461 1.00 0.00 C ATOM 1987 C ALA A 121 23.964 7.169 16.308 1.00 0.00 C ATOM 1988 O ALA A 121 24.704 8.028 15.819 1.00 0.00 O ATOM 1989 CB ALA A 121 24.614 4.953 15.263 1.00 0.00 C ATOM 0 H ALA A 121 23.274 7.323 13.850 1.00 0.00 H new ATOM 0 HA ALA A 121 22.669 5.467 16.002 1.00 0.00 H new ATOM 0 HB1 ALA A 121 24.998 4.643 16.235 1.00 0.00 H new ATOM 0 HB2 ALA A 121 24.239 4.082 14.726 1.00 0.00 H new ATOM 0 HB3 ALA A 121 25.415 5.416 14.687 1.00 0.00 H new ATOM 1995 N GLU A 122 23.535 7.252 17.583 1.00 0.00 N ATOM 1996 CA GLU A 122 23.853 8.397 18.505 1.00 0.00 C ATOM 1997 C GLU A 122 23.287 9.821 18.143 1.00 0.00 C ATOM 1998 O GLU A 122 23.513 10.773 18.899 1.00 0.00 O ATOM 1999 CB GLU A 122 25.366 8.423 18.890 1.00 0.00 C ATOM 2000 CG GLU A 122 25.907 7.184 19.656 1.00 0.00 C ATOM 2001 CD GLU A 122 25.808 7.275 21.179 1.00 0.00 C ATOM 2002 OE1 GLU A 122 26.463 8.060 21.857 1.00 0.00 O ATOM 2003 OE2 GLU A 122 24.931 6.380 21.710 1.00 0.00 O ATOM 0 H GLU A 122 22.956 6.533 18.018 1.00 0.00 H new ATOM 0 HA GLU A 122 23.262 8.160 19.390 1.00 0.00 H new ATOM 0 HB2 GLU A 122 25.949 8.541 17.976 1.00 0.00 H new ATOM 0 HB3 GLU A 122 25.548 9.308 19.500 1.00 0.00 H new ATOM 0 HG2 GLU A 122 25.360 6.302 19.323 1.00 0.00 H new ATOM 0 HG3 GLU A 122 26.951 7.034 19.383 1.00 0.00 H new ATOM 2011 N GLY A 123 22.550 9.969 17.029 1.00 0.00 N ATOM 2012 CA GLY A 123 22.396 11.269 16.319 1.00 0.00 C ATOM 2013 C GLY A 123 23.094 11.408 14.937 1.00 0.00 C ATOM 2014 O GLY A 123 22.650 12.222 14.126 1.00 0.00 O ATOM 0 H GLY A 123 22.043 9.200 16.590 1.00 0.00 H new ATOM 0 HA2 GLY A 123 21.331 11.455 16.180 1.00 0.00 H new ATOM 0 HA3 GLY A 123 22.775 12.057 16.970 1.00 0.00 H new ATOM 2018 N VAL A 124 24.161 10.639 14.644 1.00 0.00 N ATOM 2019 CA VAL A 124 24.870 10.667 13.331 1.00 0.00 C ATOM 2020 C VAL A 124 24.057 9.862 12.263 1.00 0.00 C ATOM 2021 O VAL A 124 23.744 8.688 12.476 1.00 0.00 O ATOM 2022 CB VAL A 124 26.323 10.091 13.485 1.00 0.00 C ATOM 2023 CG1 VAL A 124 27.103 10.062 12.151 1.00 0.00 C ATOM 2024 CG2 VAL A 124 27.208 10.846 14.506 1.00 0.00 C ATOM 0 H VAL A 124 24.563 9.976 15.307 1.00 0.00 H new ATOM 0 HA VAL A 124 24.950 11.700 12.992 1.00 0.00 H new ATOM 0 HB VAL A 124 26.140 9.080 13.850 1.00 0.00 H new ATOM 0 HG11 VAL A 124 28.099 9.654 12.321 1.00 0.00 H new ATOM 0 HG12 VAL A 124 26.573 9.437 11.433 1.00 0.00 H new ATOM 0 HG13 VAL A 124 27.188 11.075 11.757 1.00 0.00 H new ATOM 0 HG21 VAL A 124 28.193 10.381 14.548 1.00 0.00 H new ATOM 0 HG22 VAL A 124 27.311 11.887 14.199 1.00 0.00 H new ATOM 0 HG23 VAL A 124 26.744 10.803 15.491 1.00 0.00 H new ATOM 2034 N THR A 125 23.776 10.482 11.103 1.00 0.00 N ATOM 2035 CA THR A 125 23.141 9.788 9.941 1.00 0.00 C ATOM 2036 C THR A 125 24.196 9.559 8.809 1.00 0.00 C ATOM 2037 O THR A 125 24.809 10.516 8.318 1.00 0.00 O ATOM 2038 CB THR A 125 21.909 10.608 9.452 1.00 0.00 C ATOM 2039 OG1 THR A 125 21.009 10.833 10.534 1.00 0.00 O ATOM 2040 CG2 THR A 125 21.081 9.920 8.353 1.00 0.00 C ATOM 0 H THR A 125 23.976 11.468 10.934 1.00 0.00 H new ATOM 0 HA THR A 125 22.781 8.805 10.244 1.00 0.00 H new ATOM 0 HB THR A 125 22.336 11.526 9.048 1.00 0.00 H new ATOM 0 HG1 THR A 125 20.239 11.350 10.217 1.00 0.00 H new ATOM 0 HG21 THR A 125 20.245 10.560 8.073 1.00 0.00 H new ATOM 0 HG22 THR A 125 21.710 9.743 7.481 1.00 0.00 H new ATOM 0 HG23 THR A 125 20.701 8.969 8.726 1.00 0.00 H new ATOM 2048 N CYS A 126 24.374 8.300 8.368 1.00 0.00 N ATOM 2049 CA CYS A 126 25.142 7.974 7.137 1.00 0.00 C ATOM 2050 C CYS A 126 24.219 7.528 5.960 1.00 0.00 C ATOM 2051 O CYS A 126 23.213 6.835 6.150 1.00 0.00 O ATOM 2052 CB CYS A 126 26.206 6.927 7.499 1.00 0.00 C ATOM 2053 SG CYS A 126 25.482 5.295 7.859 1.00 0.00 S ATOM 0 H CYS A 126 23.996 7.482 8.845 1.00 0.00 H new ATOM 0 HA CYS A 126 25.639 8.870 6.766 1.00 0.00 H new ATOM 0 HB2 CYS A 126 26.914 6.833 6.676 1.00 0.00 H new ATOM 0 HB3 CYS A 126 26.769 7.271 8.367 1.00 0.00 H new ATOM 0 HG CYS A 126 25.435 5.116 9.146 1.00 0.00 H new ATOM 2059 N LYS A 127 24.566 7.944 4.733 1.00 0.00 N ATOM 2060 CA LYS A 127 23.676 7.816 3.545 1.00 0.00 C ATOM 2061 C LYS A 127 24.320 6.832 2.520 1.00 0.00 C ATOM 2062 O LYS A 127 25.358 7.129 1.918 1.00 0.00 O ATOM 2063 CB LYS A 127 23.406 9.227 2.944 1.00 0.00 C ATOM 2064 CG LYS A 127 22.713 10.242 3.890 1.00 0.00 C ATOM 2065 CD LYS A 127 22.448 11.610 3.228 1.00 0.00 C ATOM 2066 CE LYS A 127 21.860 12.680 4.168 1.00 0.00 C ATOM 2067 NZ LYS A 127 22.863 13.174 5.137 1.00 0.00 N ATOM 0 H LYS A 127 25.465 8.378 4.525 1.00 0.00 H new ATOM 0 HA LYS A 127 22.710 7.399 3.829 1.00 0.00 H new ATOM 0 HB2 LYS A 127 24.356 9.651 2.620 1.00 0.00 H new ATOM 0 HB3 LYS A 127 22.789 9.110 2.053 1.00 0.00 H new ATOM 0 HG2 LYS A 127 21.767 9.822 4.232 1.00 0.00 H new ATOM 0 HG3 LYS A 127 23.335 10.388 4.773 1.00 0.00 H new ATOM 0 HD2 LYS A 127 23.384 11.985 2.814 1.00 0.00 H new ATOM 0 HD3 LYS A 127 21.764 11.467 2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 127 21.484 13.515 3.577 1.00 0.00 H new ATOM 0 HE3 LYS A 127 21.010 12.262 4.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 22.428 13.892 5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 23.204 12.382 5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 23.663 13.596 4.624 1.00 0.00 H new ATOM 2080 N GLN A 128 23.712 5.649 2.338 1.00 0.00 N ATOM 2081 CA GLN A 128 24.186 4.625 1.368 1.00 0.00 C ATOM 2082 C GLN A 128 23.267 4.574 0.108 1.00 0.00 C ATOM 2083 O GLN A 128 22.054 4.351 0.202 1.00 0.00 O ATOM 2084 CB GLN A 128 24.274 3.244 2.065 1.00 0.00 C ATOM 2085 CG GLN A 128 25.456 3.084 3.053 1.00 0.00 C ATOM 2086 CD GLN A 128 25.611 1.684 3.660 1.00 0.00 C ATOM 2087 OE1 GLN A 128 24.799 0.776 3.511 1.00 0.00 O ATOM 2088 NE2 GLN A 128 26.695 1.445 4.354 1.00 0.00 N ATOM 0 H GLN A 128 22.878 5.367 2.854 1.00 0.00 H new ATOM 0 HA GLN A 128 25.183 4.901 1.023 1.00 0.00 H new ATOM 0 HB2 GLN A 128 23.343 3.066 2.603 1.00 0.00 H new ATOM 0 HB3 GLN A 128 24.353 2.472 1.300 1.00 0.00 H new ATOM 0 HG2 GLN A 128 26.380 3.343 2.535 1.00 0.00 H new ATOM 0 HG3 GLN A 128 25.332 3.803 3.863 1.00 0.00 H new ATOM 0 HE21 GLN A 128 27.385 2.183 4.492 1.00 0.00 H new ATOM 0 HE22 GLN A 128 26.849 0.521 4.757 1.00 0.00 H new ATOM 2097 N VAL A 129 23.873 4.756 -1.077 1.00 0.00 N ATOM 2098 CA VAL A 129 23.160 4.669 -2.386 1.00 0.00 C ATOM 2099 C VAL A 129 23.675 3.396 -3.125 1.00 0.00 C ATOM 2100 O VAL A 129 24.881 3.174 -3.283 1.00 0.00 O ATOM 2101 CB VAL A 129 23.352 5.979 -3.224 1.00 0.00 C ATOM 2102 CG1 VAL A 129 22.793 5.887 -4.664 1.00 0.00 C ATOM 2103 CG2 VAL A 129 22.699 7.215 -2.566 1.00 0.00 C ATOM 0 H VAL A 129 24.867 4.967 -1.167 1.00 0.00 H new ATOM 0 HA VAL A 129 22.085 4.579 -2.233 1.00 0.00 H new ATOM 0 HB VAL A 129 24.435 6.093 -3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 129 22.963 6.831 -5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 129 23.298 5.084 -5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 129 21.723 5.681 -4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 129 22.865 8.091 -3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 129 21.628 7.046 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 129 23.142 7.381 -1.584 1.00 0.00 H new ATOM 2113 N PHE A 130 22.721 2.603 -3.620 1.00 0.00 N ATOM 2114 CA PHE A 130 22.989 1.332 -4.337 1.00 0.00 C ATOM 2115 C PHE A 130 22.386 1.351 -5.783 1.00 0.00 C ATOM 2116 O PHE A 130 21.494 2.143 -6.108 1.00 0.00 O ATOM 2117 CB PHE A 130 22.349 0.181 -3.511 1.00 0.00 C ATOM 2118 CG PHE A 130 22.989 -0.200 -2.167 1.00 0.00 C ATOM 2119 CD1 PHE A 130 22.647 0.483 -0.995 1.00 0.00 C ATOM 2120 CD2 PHE A 130 23.873 -1.279 -2.098 1.00 0.00 C ATOM 2121 CE1 PHE A 130 23.201 0.103 0.225 1.00 0.00 C ATOM 2122 CE2 PHE A 130 24.435 -1.652 -0.881 1.00 0.00 C ATOM 2123 CZ PHE A 130 24.106 -0.954 0.277 1.00 0.00 C ATOM 0 H PHE A 130 21.727 2.819 -3.539 1.00 0.00 H new ATOM 0 HA PHE A 130 24.065 1.191 -4.438 1.00 0.00 H new ATOM 0 HB2 PHE A 130 21.310 0.448 -3.319 1.00 0.00 H new ATOM 0 HB3 PHE A 130 22.338 -0.711 -4.138 1.00 0.00 H new ATOM 0 HD1 PHE A 130 21.951 1.308 -1.036 1.00 0.00 H new ATOM 0 HD2 PHE A 130 24.122 -1.827 -2.995 1.00 0.00 H new ATOM 0 HE1 PHE A 130 22.929 0.627 1.129 1.00 0.00 H new ATOM 0 HE2 PHE A 130 25.125 -2.481 -0.835 1.00 0.00 H new ATOM 0 HZ PHE A 130 24.554 -1.233 1.219 1.00 0.00 H new ATOM 2133 N LYS A 131 22.831 0.418 -6.641 1.00 0.00 N ATOM 2134 CA LYS A 131 22.154 0.103 -7.936 1.00 0.00 C ATOM 2135 C LYS A 131 21.928 -1.434 -8.120 1.00 0.00 C ATOM 2136 O LYS A 131 22.764 -2.261 -7.741 1.00 0.00 O ATOM 2137 CB LYS A 131 22.957 0.771 -9.078 1.00 0.00 C ATOM 2138 CG LYS A 131 22.265 0.755 -10.466 1.00 0.00 C ATOM 2139 CD LYS A 131 22.865 1.741 -11.490 1.00 0.00 C ATOM 2140 CE LYS A 131 22.381 3.191 -11.302 1.00 0.00 C ATOM 2141 NZ LYS A 131 23.041 4.085 -12.274 1.00 0.00 N ATOM 0 H LYS A 131 23.665 -0.143 -6.469 1.00 0.00 H new ATOM 0 HA LYS A 131 21.146 0.517 -7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 131 23.159 1.806 -8.802 1.00 0.00 H new ATOM 0 HB3 LYS A 131 23.921 0.270 -9.164 1.00 0.00 H new ATOM 0 HG2 LYS A 131 22.322 -0.254 -10.875 1.00 0.00 H new ATOM 0 HG3 LYS A 131 21.208 0.986 -10.334 1.00 0.00 H new ATOM 0 HD2 LYS A 131 23.952 1.716 -11.413 1.00 0.00 H new ATOM 0 HD3 LYS A 131 22.609 1.408 -12.496 1.00 0.00 H new ATOM 0 HE2 LYS A 131 21.300 3.239 -11.430 1.00 0.00 H new ATOM 0 HE3 LYS A 131 22.597 3.524 -10.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 22.704 5.059 -12.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 24.071 4.051 -12.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 22.814 3.775 -13.240 1.00 0.00 H new ATOM 2154 N LYS A 132 20.781 -1.815 -8.716 1.00 0.00 N ATOM 2155 CA LYS A 132 20.395 -3.240 -8.901 1.00 0.00 C ATOM 2156 C LYS A 132 21.174 -3.934 -10.062 1.00 0.00 C ATOM 2157 O LYS A 132 21.076 -3.524 -11.223 1.00 0.00 O ATOM 2158 CB LYS A 132 18.859 -3.316 -9.138 1.00 0.00 C ATOM 2159 CG LYS A 132 18.229 -4.652 -8.685 1.00 0.00 C ATOM 2160 CD LYS A 132 16.698 -4.670 -8.859 1.00 0.00 C ATOM 2161 CE LYS A 132 16.060 -5.866 -8.140 1.00 0.00 C ATOM 2162 NZ LYS A 132 14.592 -5.836 -8.269 1.00 0.00 N ATOM 0 H LYS A 132 20.096 -1.154 -9.083 1.00 0.00 H new ATOM 0 HA LYS A 132 20.663 -3.785 -7.996 1.00 0.00 H new ATOM 0 HB2 LYS A 132 18.376 -2.497 -8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 132 18.656 -3.169 -10.199 1.00 0.00 H new ATOM 0 HG2 LYS A 132 18.666 -5.469 -9.258 1.00 0.00 H new ATOM 0 HG3 LYS A 132 18.475 -4.830 -7.638 1.00 0.00 H new ATOM 0 HD2 LYS A 132 16.276 -3.744 -8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 132 16.453 -4.710 -9.920 1.00 0.00 H new ATOM 0 HE2 LYS A 132 16.447 -6.795 -8.558 1.00 0.00 H new ATOM 0 HE3 LYS A 132 16.337 -5.851 -7.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 14.177 -6.595 -7.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 14.233 -4.916 -7.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 14.328 -5.976 -9.265 1.00 0.00 H new ATOM 2175 N VAL A 133 21.918 -5.001 -9.739 1.00 0.00 N ATOM 2176 CA VAL A 133 22.621 -5.849 -10.759 1.00 0.00 C ATOM 2177 C VAL A 133 21.819 -7.139 -11.147 1.00 0.00 C ATOM 2178 O VAL A 133 21.731 -7.454 -12.336 1.00 0.00 O ATOM 2179 CB VAL A 133 24.126 -6.106 -10.399 1.00 0.00 C ATOM 2180 CG1 VAL A 133 24.942 -4.798 -10.286 1.00 0.00 C ATOM 2181 CG2 VAL A 133 24.389 -6.939 -9.126 1.00 0.00 C ATOM 0 H VAL A 133 22.060 -5.313 -8.778 1.00 0.00 H new ATOM 0 HA VAL A 133 22.649 -5.263 -11.678 1.00 0.00 H new ATOM 0 HB VAL A 133 24.458 -6.704 -11.248 1.00 0.00 H new ATOM 0 HG11 VAL A 133 25.976 -5.035 -10.035 1.00 0.00 H new ATOM 0 HG12 VAL A 133 24.912 -4.267 -11.237 1.00 0.00 H new ATOM 0 HG13 VAL A 133 24.514 -4.169 -9.506 1.00 0.00 H new ATOM 0 HG21 VAL A 133 25.463 -7.050 -8.980 1.00 0.00 H new ATOM 0 HG22 VAL A 133 23.956 -6.432 -8.264 1.00 0.00 H new ATOM 0 HG23 VAL A 133 23.934 -7.923 -9.235 1.00 0.00 H new ATOM 2191 N HIS A 134 21.226 -7.868 -10.177 1.00 0.00 N ATOM 2192 CA HIS A 134 20.261 -8.962 -10.455 1.00 0.00 C ATOM 2193 C HIS A 134 18.850 -8.463 -10.062 1.00 0.00 C ATOM 2194 O HIS A 134 18.040 -8.175 -10.972 1.00 0.00 O ATOM 2195 CB HIS A 134 20.728 -10.230 -9.693 1.00 0.00 C ATOM 2196 CG HIS A 134 19.916 -11.492 -9.973 1.00 0.00 C ATOM 2197 ND1 HIS A 134 20.088 -12.293 -11.082 1.00 0.00 N ATOM 2198 CD2 HIS A 134 18.893 -12.011 -9.161 1.00 0.00 C ATOM 2199 CE1 HIS A 134 19.130 -13.243 -10.842 1.00 0.00 C ATOM 2200 NE2 HIS A 134 18.355 -13.166 -9.712 1.00 0.00 N ATOM 2201 OXT HIS A 134 18.546 -8.355 -8.852 1.00 0.00 O ATOM 0 H HIS A 134 21.399 -7.718 -9.183 1.00 0.00 H new ATOM 0 HA HIS A 134 20.217 -9.235 -11.509 1.00 0.00 H new ATOM 0 HB2 HIS A 134 21.770 -10.424 -9.947 1.00 0.00 H new ATOM 0 HB3 HIS A 134 20.693 -10.025 -8.623 1.00 0.00 H new ATOM 0 HD2 HIS A 134 18.568 -11.569 -8.231 1.00 0.00 H new ATOM 0 HE1 HIS A 134 18.985 -14.052 -11.542 1.00 0.00 H new ATOM 0 HE2 HIS A 134 17.608 -13.775 -9.377 1.00 0.00 H new TER 2209 HIS A 134