USER MOD reduce.3.24.130724 H: found=0, std=0, add=1247, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1249 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 58 ASN :FLIP amide:sc= 0.627 F(o=-1.2,f=1.4) USER MOD Set 1.2: A 61 SER OG : rot -109:sc= 0.782 USER MOD Set 2.1: A 16 ASN : amide:sc= 0.855 K(o=1.6,f=-0.91) USER MOD Set 2.2: A 60 GLN : amide:sc= 0.753 K(o=1.6,f=-1.9) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 90:sc= 0.33 USER MOD Single : A 18 THR OG1 : rot 77:sc= 1.3 USER MOD Single : A 24 LYS NZ :NH3+ -167:sc= 0.973 (180deg=-0.0819) USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0261) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 0.297 (180deg=0.24) USER MOD Single : A 30 ASN : amide:sc= -0.286 K(o=-0.29,f=-1) USER MOD Single : A 33 MET CE :methyl -134:sc= -5.51 (180deg=-7.52!) USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= 0.00716 (180deg=0.000846) USER MOD Single : A 38 THR OG1 : rot 170:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 50 ASN : amide:sc= -0.439 X(o=-0.44,f=-0.61) USER MOD Single : A 52 LYS NZ :NH3+ 161:sc= -0.0424 (180deg=-0.312) USER MOD Single : A 53 ASN : amide:sc= -0.931 X(o=-0.93,f=-0.8) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= 0.0972 (180deg=-0.0173) USER MOD Single : A 67 TYR OH : rot 130:sc= -0.137 USER MOD Single : A 68 SER OG : rot 67:sc= 1.02 USER MOD Single : A 71 CYS SG : rot -48:sc= 0.731 USER MOD Single : A 72 GLN : amide:sc= -0.956 K(o=-0.96,f=-5.7!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -119:sc= -0.0907 (180deg=-3.6!) USER MOD Single : A 81 LYS NZ :NH3+ 162:sc= -0.0304 (180deg=-0.315) USER MOD Single : A 83 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0155) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0907 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.0962 F(o=-2.9!,f=-0.096) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 30:sc= -0.269 USER MOD Single : A 104 LYS NZ :NH3+ -145:sc= -0.731 (180deg=-2.74!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -110:sc= -0.453 (180deg=-2.23!) USER MOD Single : A 109 MET CE :methyl -160:sc= -0.131 (180deg=-0.596) USER MOD Single : A 112 ASN : amide:sc= -0.172 K(o=-0.17,f=-0.73) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0.619 K(o=0.62,f=-0.07) USER MOD Single : A 125 MET CE :methyl -154:sc= -4.02! (180deg=-6.17!) USER MOD Single : A 126 SER OG : rot -87:sc= 0.519 USER MOD Single : A 130 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0726) USER MOD Single : A 132 SER OG : rot 135:sc= 0.234 USER MOD Single : A 133 SER OG : rot 180:sc=-0.00292 USER MOD Single : A 134 SER OG : rot 85:sc= 0.762 USER MOD Single : A 136 LYS NZ :NH3+ 166:sc= -0.0492 (180deg=-0.278) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 MET CE :methyl 154:sc= -2.89 (180deg=-7.32!) USER MOD Single : A 142 LYS NZ :NH3+ -160:sc= 1.69 (180deg=0.623!) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 ASN : amide:sc= -0.0373 X(o=-0.037,f=0) USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 SER OG : rot 18:sc= -3.62! USER MOD Single : A 157 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 5 -13.000 -7.772 -7.791 1.00 0.53 N ATOM 34 CA LYS A 5 -12.848 -8.038 -6.368 1.00 0.46 C ATOM 35 C LYS A 5 -11.462 -7.639 -5.874 1.00 0.34 C ATOM 36 O LYS A 5 -10.446 -7.943 -6.505 1.00 0.39 O ATOM 37 CB LYS A 5 -13.106 -9.513 -6.052 1.00 0.54 C ATOM 38 CG LYS A 5 -12.989 -9.836 -4.569 1.00 0.60 C ATOM 39 CD LYS A 5 -13.239 -11.308 -4.278 1.00 0.89 C ATOM 40 CE LYS A 5 -12.298 -12.210 -5.062 1.00 1.36 C ATOM 41 NZ LYS A 5 -12.465 -13.639 -4.693 1.00 1.61 N ATOM 0 HA LYS A 5 -13.590 -7.433 -5.847 1.00 0.46 H new ATOM 0 HB2 LYS A 5 -14.103 -9.784 -6.399 1.00 0.54 H new ATOM 0 HB3 LYS A 5 -12.398 -10.127 -6.608 1.00 0.54 H new ATOM 0 HG2 LYS A 5 -11.994 -9.562 -4.217 1.00 0.60 H new ATOM 0 HG3 LYS A 5 -13.703 -9.231 -4.010 1.00 0.60 H new ATOM 0 HD2 LYS A 5 -13.114 -11.493 -3.211 1.00 0.89 H new ATOM 0 HD3 LYS A 5 -14.271 -11.557 -4.526 1.00 0.89 H new ATOM 0 HE2 LYS A 5 -12.482 -12.087 -6.129 1.00 1.36 H new ATOM 0 HE3 LYS A 5 -11.267 -11.906 -4.879 1.00 1.36 H new ATOM 0 HZ1 LYS A 5 -11.806 -14.220 -5.249 1.00 1.61 H new ATOM 0 HZ2 LYS A 5 -12.265 -13.762 -3.680 1.00 1.61 H new ATOM 0 HZ3 LYS A 5 -13.442 -13.937 -4.891 1.00 1.61 H new ATOM 55 N GLY A 6 -11.439 -6.942 -4.750 1.00 0.26 N ATOM 56 CA GLY A 6 -10.182 -6.525 -4.160 1.00 0.20 C ATOM 57 C GLY A 6 -10.329 -5.238 -3.378 1.00 0.17 C ATOM 58 O GLY A 6 -11.441 -4.885 -2.978 1.00 0.24 O ATOM 0 H GLY A 6 -12.270 -6.656 -4.233 1.00 0.26 H new ATOM 0 HA2 GLY A 6 -9.811 -7.310 -3.501 1.00 0.20 H new ATOM 0 HA3 GLY A 6 -9.438 -6.390 -4.946 1.00 0.20 H new ATOM 62 N ALA A 7 -9.230 -4.526 -3.184 1.00 0.15 N ATOM 63 CA ALA A 7 -9.254 -3.277 -2.432 1.00 0.14 C ATOM 64 C ALA A 7 -8.628 -2.143 -3.233 1.00 0.14 C ATOM 65 O ALA A 7 -7.794 -2.379 -4.103 1.00 0.18 O ATOM 66 CB ALA A 7 -8.536 -3.443 -1.101 1.00 0.16 C ATOM 0 H ALA A 7 -8.310 -4.790 -3.536 1.00 0.15 H new ATOM 0 HA ALA A 7 -10.296 -3.021 -2.239 1.00 0.14 H new ATOM 0 HB1 ALA A 7 -8.563 -2.501 -0.553 1.00 0.16 H new ATOM 0 HB2 ALA A 7 -9.030 -4.218 -0.515 1.00 0.16 H new ATOM 0 HB3 ALA A 7 -7.499 -3.729 -1.280 1.00 0.16 H new ATOM 72 N TYR A 8 -9.046 -0.919 -2.944 1.00 0.12 N ATOM 73 CA TYR A 8 -8.506 0.263 -3.607 1.00 0.13 C ATOM 74 C TYR A 8 -8.115 1.321 -2.587 1.00 0.12 C ATOM 75 O TYR A 8 -8.830 1.550 -1.612 1.00 0.13 O ATOM 76 CB TYR A 8 -9.523 0.845 -4.596 1.00 0.16 C ATOM 77 CG TYR A 8 -9.486 0.205 -5.970 1.00 0.24 C ATOM 78 CD1 TYR A 8 -8.468 0.485 -6.871 1.00 0.31 C ATOM 79 CD2 TYR A 8 -10.476 -0.668 -6.367 1.00 0.39 C ATOM 80 CE1 TYR A 8 -8.445 -0.093 -8.129 1.00 0.40 C ATOM 81 CE2 TYR A 8 -10.464 -1.253 -7.617 1.00 0.48 C ATOM 82 CZ TYR A 8 -9.449 -0.962 -8.495 1.00 0.45 C ATOM 83 OH TYR A 8 -9.438 -1.543 -9.741 1.00 0.57 O ATOM 0 H TYR A 8 -9.764 -0.716 -2.248 1.00 0.12 H new ATOM 0 HA TYR A 8 -7.616 -0.041 -4.158 1.00 0.13 H new ATOM 0 HB2 TYR A 8 -10.524 0.731 -4.181 1.00 0.16 H new ATOM 0 HB3 TYR A 8 -9.341 1.915 -4.700 1.00 0.16 H new ATOM 0 HD1 TYR A 8 -7.680 1.166 -6.586 1.00 0.31 H new ATOM 0 HD2 TYR A 8 -11.280 -0.900 -5.684 1.00 0.39 H new ATOM 0 HE1 TYR A 8 -7.646 0.136 -8.818 1.00 0.40 H new ATOM 0 HE2 TYR A 8 -11.249 -1.937 -7.903 1.00 0.48 H new ATOM 0 HH TYR A 8 -10.217 -2.130 -9.835 1.00 0.57 H new ATOM 93 N LEU A 9 -6.968 1.939 -2.813 1.00 0.12 N ATOM 94 CA LEU A 9 -6.491 3.028 -1.974 1.00 0.12 C ATOM 95 C LEU A 9 -6.983 4.334 -2.560 1.00 0.11 C ATOM 96 O LEU A 9 -6.673 4.657 -3.697 1.00 0.13 O ATOM 97 CB LEU A 9 -4.960 3.011 -1.925 1.00 0.12 C ATOM 98 CG LEU A 9 -4.275 3.896 -0.866 1.00 0.13 C ATOM 99 CD1 LEU A 9 -4.460 5.376 -1.141 1.00 0.16 C ATOM 100 CD2 LEU A 9 -4.762 3.555 0.531 1.00 0.12 C ATOM 0 H LEU A 9 -6.341 1.701 -3.582 1.00 0.12 H new ATOM 0 HA LEU A 9 -6.869 2.915 -0.958 1.00 0.12 H new ATOM 0 HB2 LEU A 9 -4.640 1.982 -1.762 1.00 0.12 H new ATOM 0 HB3 LEU A 9 -4.588 3.310 -2.905 1.00 0.12 H new ATOM 0 HG LEU A 9 -3.208 3.683 -0.928 1.00 0.13 H new ATOM 0 HD11 LEU A 9 -3.958 5.956 -0.366 1.00 0.16 H new ATOM 0 HD12 LEU A 9 -4.031 5.622 -2.113 1.00 0.16 H new ATOM 0 HD13 LEU A 9 -5.523 5.616 -1.142 1.00 0.16 H new ATOM 0 HD21 LEU A 9 -4.261 4.195 1.257 1.00 0.12 H new ATOM 0 HD22 LEU A 9 -5.839 3.713 0.590 1.00 0.12 H new ATOM 0 HD23 LEU A 9 -4.536 2.512 0.751 1.00 0.12 H new ATOM 112 N VAL A 10 -7.736 5.079 -1.790 1.00 0.12 N ATOM 113 CA VAL A 10 -8.333 6.305 -2.283 1.00 0.14 C ATOM 114 C VAL A 10 -7.842 7.500 -1.481 1.00 0.16 C ATOM 115 O VAL A 10 -7.591 7.392 -0.283 1.00 0.14 O ATOM 116 CB VAL A 10 -9.876 6.259 -2.223 1.00 0.16 C ATOM 117 CG1 VAL A 10 -10.468 6.860 -3.489 1.00 0.19 C ATOM 118 CG2 VAL A 10 -10.388 4.839 -1.998 1.00 0.16 C ATOM 0 H VAL A 10 -7.953 4.862 -0.817 1.00 0.12 H new ATOM 0 HA VAL A 10 -8.029 6.408 -3.325 1.00 0.14 H new ATOM 0 HB VAL A 10 -10.199 6.855 -1.370 1.00 0.16 H new ATOM 0 HG11 VAL A 10 -11.556 6.822 -3.435 1.00 0.19 H new ATOM 0 HG12 VAL A 10 -10.145 7.897 -3.585 1.00 0.19 H new ATOM 0 HG13 VAL A 10 -10.127 6.292 -4.355 1.00 0.19 H new ATOM 0 HG21 VAL A 10 -11.477 4.847 -1.961 1.00 0.16 H new ATOM 0 HG22 VAL A 10 -10.057 4.199 -2.816 1.00 0.16 H new ATOM 0 HG23 VAL A 10 -9.996 4.456 -1.056 1.00 0.16 H new ATOM 128 N PHE A 11 -7.679 8.624 -2.157 1.00 0.23 N ATOM 129 CA PHE A 11 -7.353 9.875 -1.495 1.00 0.27 C ATOM 130 C PHE A 11 -8.623 10.681 -1.303 1.00 0.33 C ATOM 131 O PHE A 11 -9.383 10.881 -2.250 1.00 0.42 O ATOM 132 CB PHE A 11 -6.347 10.672 -2.324 1.00 0.35 C ATOM 133 CG PHE A 11 -6.031 12.041 -1.780 1.00 0.48 C ATOM 134 CD1 PHE A 11 -5.332 12.199 -0.591 1.00 0.66 C ATOM 135 CD2 PHE A 11 -6.421 13.175 -2.476 1.00 0.72 C ATOM 136 CE1 PHE A 11 -5.029 13.458 -0.113 1.00 0.85 C ATOM 137 CE2 PHE A 11 -6.124 14.436 -1.997 1.00 0.90 C ATOM 138 CZ PHE A 11 -5.427 14.578 -0.815 1.00 0.90 C ATOM 0 H PHE A 11 -7.768 8.696 -3.171 1.00 0.23 H new ATOM 0 HA PHE A 11 -6.904 9.662 -0.525 1.00 0.27 H new ATOM 0 HB2 PHE A 11 -5.421 10.101 -2.395 1.00 0.35 H new ATOM 0 HB3 PHE A 11 -6.734 10.779 -3.337 1.00 0.35 H new ATOM 0 HD1 PHE A 11 -5.022 11.327 -0.034 1.00 0.66 H new ATOM 0 HD2 PHE A 11 -6.964 13.071 -3.404 1.00 0.72 H new ATOM 0 HE1 PHE A 11 -4.480 13.567 0.811 1.00 0.85 H new ATOM 0 HE2 PHE A 11 -6.437 15.311 -2.548 1.00 0.90 H new ATOM 0 HZ PHE A 11 -5.193 15.563 -0.440 1.00 0.90 H new ATOM 148 N ASP A 12 -8.854 11.133 -0.089 1.00 0.32 N ATOM 149 CA ASP A 12 -10.063 11.874 0.219 1.00 0.39 C ATOM 150 C ASP A 12 -9.712 13.257 0.751 1.00 0.41 C ATOM 151 O ASP A 12 -8.618 13.470 1.279 1.00 0.36 O ATOM 152 CB ASP A 12 -10.906 11.105 1.238 1.00 0.42 C ATOM 153 CG ASP A 12 -12.270 11.725 1.443 1.00 0.52 C ATOM 154 OD1 ASP A 12 -13.186 11.447 0.640 1.00 0.58 O ATOM 155 OD2 ASP A 12 -12.432 12.495 2.408 1.00 0.61 O ATOM 0 H ASP A 12 -8.223 11.002 0.701 1.00 0.32 H new ATOM 0 HA ASP A 12 -10.646 11.994 -0.694 1.00 0.39 H new ATOM 0 HB2 ASP A 12 -11.025 10.074 0.903 1.00 0.42 H new ATOM 0 HB3 ASP A 12 -10.378 11.072 2.191 1.00 0.42 H new ATOM 160 N ASN A 13 -10.646 14.192 0.609 1.00 0.52 N ATOM 161 CA ASN A 13 -10.401 15.589 0.953 1.00 0.56 C ATOM 162 C ASN A 13 -10.632 15.850 2.434 1.00 0.57 C ATOM 163 O ASN A 13 -10.434 16.973 2.905 1.00 0.65 O ATOM 164 CB ASN A 13 -11.293 16.518 0.122 1.00 0.71 C ATOM 165 CG ASN A 13 -11.009 16.433 -1.365 1.00 1.50 C ATOM 166 OD1 ASN A 13 -10.151 17.146 -1.888 1.00 2.37 O ATOM 167 ND2 ASN A 13 -11.741 15.578 -2.064 1.00 2.16 N ATOM 0 H ASN A 13 -11.585 14.006 0.256 1.00 0.52 H new ATOM 0 HA ASN A 13 -9.355 15.797 0.726 1.00 0.56 H new ATOM 0 HB2 ASN A 13 -12.338 16.267 0.302 1.00 0.71 H new ATOM 0 HB3 ASN A 13 -11.150 17.546 0.456 1.00 0.71 H new ATOM 0 HD21 ASN A 13 -11.603 15.493 -3.071 1.00 2.16 H new ATOM 0 HD22 ASN A 13 -12.442 15.004 -1.595 1.00 2.16 H new ATOM 174 N ALA A 14 -11.064 14.827 3.164 1.00 0.55 N ATOM 175 CA ALA A 14 -11.218 14.934 4.609 1.00 0.59 C ATOM 176 C ALA A 14 -9.886 15.294 5.248 1.00 0.66 C ATOM 177 O ALA A 14 -8.855 14.704 4.912 1.00 1.31 O ATOM 178 CB ALA A 14 -11.746 13.632 5.189 1.00 0.60 C ATOM 0 H ALA A 14 -11.313 13.916 2.779 1.00 0.55 H new ATOM 0 HA ALA A 14 -11.939 15.722 4.825 1.00 0.59 H new ATOM 0 HB1 ALA A 14 -11.854 13.732 6.269 1.00 0.60 H new ATOM 0 HB2 ALA A 14 -12.716 13.404 4.747 1.00 0.60 H new ATOM 0 HB3 ALA A 14 -11.047 12.825 4.968 1.00 0.60 H new ATOM 184 N SER A 15 -9.903 16.285 6.134 1.00 0.60 N ATOM 185 CA SER A 15 -8.689 16.744 6.811 1.00 0.54 C ATOM 186 C SER A 15 -7.641 17.215 5.795 1.00 0.52 C ATOM 187 O SER A 15 -6.443 17.225 6.083 1.00 0.53 O ATOM 188 CB SER A 15 -8.119 15.622 7.688 1.00 0.53 C ATOM 189 OG SER A 15 -9.062 15.206 8.663 1.00 1.23 O ATOM 0 H SER A 15 -10.748 16.790 6.403 1.00 0.60 H new ATOM 0 HA SER A 15 -8.948 17.591 7.446 1.00 0.54 H new ATOM 0 HB2 SER A 15 -7.840 14.774 7.063 1.00 0.53 H new ATOM 0 HB3 SER A 15 -7.210 15.968 8.181 1.00 0.53 H new ATOM 0 HG SER A 15 -9.612 14.482 8.298 1.00 1.23 H new ATOM 195 N ASN A 16 -8.116 17.593 4.602 1.00 0.53 N ATOM 196 CA ASN A 16 -7.254 18.035 3.501 1.00 0.57 C ATOM 197 C ASN A 16 -6.242 16.960 3.121 1.00 0.52 C ATOM 198 O ASN A 16 -5.133 17.260 2.673 1.00 0.68 O ATOM 199 CB ASN A 16 -6.529 19.335 3.856 1.00 0.66 C ATOM 200 CG ASN A 16 -7.473 20.510 4.001 1.00 0.76 C ATOM 201 OD1 ASN A 16 -8.513 20.574 3.349 1.00 1.08 O ATOM 202 ND2 ASN A 16 -7.115 21.449 4.857 1.00 1.30 N ATOM 0 H ASN A 16 -9.110 17.601 4.373 1.00 0.53 H new ATOM 0 HA ASN A 16 -7.898 18.219 2.641 1.00 0.57 H new ATOM 0 HB2 ASN A 16 -5.981 19.198 4.788 1.00 0.66 H new ATOM 0 HB3 ASN A 16 -5.793 19.559 3.083 1.00 0.66 H new ATOM 0 HD21 ASN A 16 -7.710 22.266 4.997 1.00 1.30 H new ATOM 0 HD22 ASN A 16 -6.243 21.358 5.379 1.00 1.30 H new ATOM 209 N GLY A 17 -6.627 15.707 3.304 1.00 0.39 N ATOM 210 CA GLY A 17 -5.753 14.609 2.968 1.00 0.34 C ATOM 211 C GLY A 17 -6.019 13.393 3.818 1.00 0.28 C ATOM 212 O GLY A 17 -5.594 13.334 4.965 1.00 0.29 O ATOM 0 H GLY A 17 -7.534 15.432 3.681 1.00 0.39 H new ATOM 0 HA2 GLY A 17 -5.883 14.352 1.917 1.00 0.34 H new ATOM 0 HA3 GLY A 17 -4.716 14.920 3.095 1.00 0.34 H new ATOM 216 N THR A 18 -6.736 12.436 3.266 1.00 0.27 N ATOM 217 CA THR A 18 -6.997 11.184 3.955 1.00 0.24 C ATOM 218 C THR A 18 -6.846 10.009 2.998 1.00 0.18 C ATOM 219 O THR A 18 -7.083 10.146 1.797 1.00 0.19 O ATOM 220 CB THR A 18 -8.414 11.166 4.577 1.00 0.30 C ATOM 221 OG1 THR A 18 -8.539 12.213 5.547 1.00 0.40 O ATOM 222 CG2 THR A 18 -8.706 9.830 5.243 1.00 0.33 C ATOM 0 H THR A 18 -7.152 12.500 2.337 1.00 0.27 H new ATOM 0 HA THR A 18 -6.266 11.094 4.759 1.00 0.24 H new ATOM 0 HB THR A 18 -9.133 11.319 3.772 1.00 0.30 H new ATOM 0 HG1 THR A 18 -8.664 13.070 5.089 1.00 0.40 H new ATOM 0 HG21 THR A 18 -9.708 9.848 5.671 1.00 0.33 H new ATOM 0 HG22 THR A 18 -8.642 9.033 4.503 1.00 0.33 H new ATOM 0 HG23 THR A 18 -7.977 9.651 6.034 1.00 0.33 H new ATOM 230 N LEU A 19 -6.434 8.865 3.529 1.00 0.15 N ATOM 231 CA LEU A 19 -6.365 7.650 2.745 1.00 0.13 C ATOM 232 C LEU A 19 -7.519 6.740 3.095 1.00 0.14 C ATOM 233 O LEU A 19 -7.940 6.667 4.248 1.00 0.21 O ATOM 234 CB LEU A 19 -5.062 6.900 2.973 1.00 0.14 C ATOM 235 CG LEU A 19 -3.812 7.613 2.491 1.00 0.24 C ATOM 236 CD1 LEU A 19 -2.671 6.616 2.390 1.00 0.54 C ATOM 237 CD2 LEU A 19 -4.084 8.301 1.156 1.00 0.58 C ATOM 0 H LEU A 19 -6.143 8.758 4.501 1.00 0.15 H new ATOM 0 HA LEU A 19 -6.417 7.941 1.696 1.00 0.13 H new ATOM 0 HB2 LEU A 19 -4.958 6.700 4.040 1.00 0.14 H new ATOM 0 HB3 LEU A 19 -5.125 5.934 2.473 1.00 0.14 H new ATOM 0 HG LEU A 19 -3.525 8.386 3.204 1.00 0.24 H new ATOM 0 HD11 LEU A 19 -1.772 7.126 2.044 1.00 0.54 H new ATOM 0 HD12 LEU A 19 -2.484 6.176 3.370 1.00 0.54 H new ATOM 0 HD13 LEU A 19 -2.937 5.829 1.684 1.00 0.54 H new ATOM 0 HD21 LEU A 19 -3.181 8.810 0.818 1.00 0.58 H new ATOM 0 HD22 LEU A 19 -4.379 7.557 0.417 1.00 0.58 H new ATOM 0 HD23 LEU A 19 -4.886 9.029 1.278 1.00 0.58 H new ATOM 249 N PHE A 20 -8.002 6.037 2.102 1.00 0.13 N ATOM 250 CA PHE A 20 -9.179 5.217 2.245 1.00 0.14 C ATOM 251 C PHE A 20 -8.975 3.895 1.521 1.00 0.13 C ATOM 252 O PHE A 20 -8.561 3.868 0.372 1.00 0.12 O ATOM 253 CB PHE A 20 -10.379 6.036 1.703 1.00 0.15 C ATOM 254 CG PHE A 20 -11.649 5.294 1.368 1.00 0.16 C ATOM 255 CD1 PHE A 20 -11.938 4.071 1.923 1.00 0.17 C ATOM 256 CD2 PHE A 20 -12.560 5.850 0.483 1.00 0.17 C ATOM 257 CE1 PHE A 20 -13.102 3.404 1.608 1.00 0.19 C ATOM 258 CE2 PHE A 20 -13.729 5.191 0.161 1.00 0.19 C ATOM 259 CZ PHE A 20 -14.001 3.963 0.726 1.00 0.19 C ATOM 0 H PHE A 20 -7.589 6.017 1.169 1.00 0.13 H new ATOM 0 HA PHE A 20 -9.378 4.961 3.286 1.00 0.14 H new ATOM 0 HB2 PHE A 20 -10.623 6.799 2.442 1.00 0.15 H new ATOM 0 HB3 PHE A 20 -10.049 6.556 0.804 1.00 0.15 H new ATOM 0 HD1 PHE A 20 -11.242 3.625 2.618 1.00 0.17 H new ATOM 0 HD2 PHE A 20 -12.352 6.812 0.039 1.00 0.17 H new ATOM 0 HE1 PHE A 20 -13.310 2.442 2.053 1.00 0.19 H new ATOM 0 HE2 PHE A 20 -14.429 5.636 -0.531 1.00 0.19 H new ATOM 0 HZ PHE A 20 -14.914 3.442 0.478 1.00 0.19 H new ATOM 269 N ILE A 21 -9.219 2.801 2.222 1.00 0.15 N ATOM 270 CA ILE A 21 -9.182 1.489 1.607 1.00 0.16 C ATOM 271 C ILE A 21 -10.596 0.965 1.431 1.00 0.18 C ATOM 272 O ILE A 21 -11.319 0.712 2.398 1.00 0.23 O ATOM 273 CB ILE A 21 -8.338 0.471 2.406 1.00 0.20 C ATOM 274 CG1 ILE A 21 -8.462 -0.910 1.756 1.00 0.24 C ATOM 275 CG2 ILE A 21 -8.764 0.428 3.869 1.00 0.24 C ATOM 276 CD1 ILE A 21 -7.578 -1.959 2.375 1.00 0.28 C ATOM 0 H ILE A 21 -9.445 2.797 3.217 1.00 0.15 H new ATOM 0 HA ILE A 21 -8.699 1.605 0.637 1.00 0.16 H new ATOM 0 HB ILE A 21 -7.294 0.783 2.385 1.00 0.20 H new ATOM 0 HG12 ILE A 21 -9.499 -1.239 1.821 1.00 0.24 H new ATOM 0 HG13 ILE A 21 -8.220 -0.825 0.697 1.00 0.24 H new ATOM 0 HG21 ILE A 21 -8.152 -0.297 4.405 1.00 0.24 H new ATOM 0 HG22 ILE A 21 -8.633 1.414 4.315 1.00 0.24 H new ATOM 0 HG23 ILE A 21 -9.812 0.137 3.934 1.00 0.24 H new ATOM 0 HD11 ILE A 21 -7.724 -2.908 1.859 1.00 0.28 H new ATOM 0 HD12 ILE A 21 -6.535 -1.654 2.287 1.00 0.28 H new ATOM 0 HD13 ILE A 21 -7.834 -2.075 3.428 1.00 0.28 H new ATOM 288 N VAL A 22 -10.995 0.840 0.188 1.00 0.16 N ATOM 289 CA VAL A 22 -12.327 0.391 -0.132 1.00 0.18 C ATOM 290 C VAL A 22 -12.361 -1.128 -0.290 1.00 0.18 C ATOM 291 O VAL A 22 -11.657 -1.702 -1.126 1.00 0.22 O ATOM 292 CB VAL A 22 -12.847 1.078 -1.413 1.00 0.21 C ATOM 293 CG1 VAL A 22 -11.948 0.775 -2.581 1.00 0.22 C ATOM 294 CG2 VAL A 22 -14.288 0.683 -1.705 1.00 0.24 C ATOM 0 H VAL A 22 -10.411 1.045 -0.623 1.00 0.16 H new ATOM 0 HA VAL A 22 -12.983 0.667 0.694 1.00 0.18 H new ATOM 0 HB VAL A 22 -12.832 2.155 -1.249 1.00 0.21 H new ATOM 0 HG11 VAL A 22 -12.332 1.269 -3.474 1.00 0.22 H new ATOM 0 HG12 VAL A 22 -10.942 1.138 -2.370 1.00 0.22 H new ATOM 0 HG13 VAL A 22 -11.917 -0.302 -2.747 1.00 0.22 H new ATOM 0 HG21 VAL A 22 -14.625 1.183 -2.613 1.00 0.24 H new ATOM 0 HG22 VAL A 22 -14.349 -0.397 -1.841 1.00 0.24 H new ATOM 0 HG23 VAL A 22 -14.923 0.980 -0.870 1.00 0.24 H new ATOM 304 N TRP A 23 -13.149 -1.780 0.543 1.00 0.19 N ATOM 305 CA TRP A 23 -13.375 -3.203 0.399 1.00 0.21 C ATOM 306 C TRP A 23 -14.687 -3.424 -0.329 1.00 0.24 C ATOM 307 O TRP A 23 -15.767 -3.219 0.223 1.00 0.27 O ATOM 308 CB TRP A 23 -13.360 -3.916 1.753 1.00 0.23 C ATOM 309 CG TRP A 23 -11.972 -4.128 2.278 1.00 0.23 C ATOM 310 CD1 TRP A 23 -11.421 -3.592 3.405 1.00 0.29 C ATOM 311 CD2 TRP A 23 -10.947 -4.927 1.671 1.00 0.21 C ATOM 312 NE1 TRP A 23 -10.119 -4.015 3.542 1.00 0.31 N ATOM 313 CE2 TRP A 23 -9.805 -4.833 2.488 1.00 0.26 C ATOM 314 CE3 TRP A 23 -10.887 -5.716 0.517 1.00 0.22 C ATOM 315 CZ2 TRP A 23 -8.615 -5.494 2.183 1.00 0.28 C ATOM 316 CZ3 TRP A 23 -9.706 -6.370 0.217 1.00 0.26 C ATOM 317 CH2 TRP A 23 -8.585 -6.256 1.048 1.00 0.27 C ATOM 0 H TRP A 23 -13.642 -1.347 1.324 1.00 0.19 H new ATOM 0 HA TRP A 23 -12.563 -3.634 -0.187 1.00 0.21 H new ATOM 0 HB2 TRP A 23 -13.932 -3.331 2.474 1.00 0.23 H new ATOM 0 HB3 TRP A 23 -13.859 -4.880 1.657 1.00 0.23 H new ATOM 0 HD1 TRP A 23 -11.932 -2.932 4.090 1.00 0.29 H new ATOM 0 HE1 TRP A 23 -9.490 -3.761 4.304 1.00 0.31 H new ATOM 0 HE3 TRP A 23 -11.748 -5.813 -0.128 1.00 0.22 H new ATOM 0 HZ2 TRP A 23 -7.748 -5.407 2.821 1.00 0.28 H new ATOM 0 HZ3 TRP A 23 -9.647 -6.979 -0.673 1.00 0.26 H new ATOM 0 HH2 TRP A 23 -7.678 -6.781 0.787 1.00 0.27 H new ATOM 328 N LYS A 24 -14.577 -3.828 -1.580 1.00 0.25 N ATOM 329 CA LYS A 24 -15.723 -3.918 -2.461 1.00 0.28 C ATOM 330 C LYS A 24 -15.573 -5.105 -3.401 1.00 0.33 C ATOM 331 O LYS A 24 -14.517 -5.742 -3.467 1.00 0.39 O ATOM 332 CB LYS A 24 -15.871 -2.641 -3.292 1.00 0.29 C ATOM 333 CG LYS A 24 -14.916 -2.587 -4.450 1.00 0.35 C ATOM 334 CD LYS A 24 -13.519 -2.249 -3.987 1.00 0.61 C ATOM 335 CE LYS A 24 -12.486 -2.639 -5.018 1.00 1.14 C ATOM 336 NZ LYS A 24 -12.545 -4.085 -5.342 1.00 1.36 N ATOM 0 H LYS A 24 -13.694 -4.102 -2.012 1.00 0.25 H new ATOM 0 HA LYS A 24 -16.611 -4.048 -1.843 1.00 0.28 H new ATOM 0 HB2 LYS A 24 -16.893 -2.572 -3.666 1.00 0.29 H new ATOM 0 HB3 LYS A 24 -15.707 -1.775 -2.651 1.00 0.29 H new ATOM 0 HG2 LYS A 24 -14.909 -3.548 -4.965 1.00 0.35 H new ATOM 0 HG3 LYS A 24 -15.254 -1.842 -5.170 1.00 0.35 H new ATOM 0 HD2 LYS A 24 -13.449 -1.180 -3.787 1.00 0.61 H new ATOM 0 HD3 LYS A 24 -13.311 -2.763 -3.049 1.00 0.61 H new ATOM 0 HE2 LYS A 24 -12.642 -2.057 -5.926 1.00 1.14 H new ATOM 0 HE3 LYS A 24 -11.492 -2.391 -4.647 1.00 1.14 H new ATOM 0 HZ1 LYS A 24 -11.694 -4.356 -5.876 1.00 1.36 H new ATOM 0 HZ2 LYS A 24 -12.592 -4.636 -4.461 1.00 1.36 H new ATOM 0 HZ3 LYS A 24 -13.390 -4.278 -5.917 1.00 1.36 H new ATOM 350 N LYS A 25 -16.622 -5.356 -4.161 1.00 0.36 N ATOM 351 CA LYS A 25 -16.686 -6.512 -5.045 1.00 0.42 C ATOM 352 C LYS A 25 -16.695 -6.027 -6.484 1.00 0.45 C ATOM 353 O LYS A 25 -16.910 -6.786 -7.428 1.00 0.56 O ATOM 354 CB LYS A 25 -17.951 -7.322 -4.757 1.00 0.49 C ATOM 355 CG LYS A 25 -18.267 -7.445 -3.277 1.00 0.67 C ATOM 356 CD LYS A 25 -17.158 -8.122 -2.517 1.00 0.70 C ATOM 357 CE LYS A 25 -17.574 -9.525 -2.124 1.00 0.94 C ATOM 358 NZ LYS A 25 -17.813 -10.397 -3.303 1.00 1.94 N ATOM 0 H LYS A 25 -17.455 -4.767 -4.186 1.00 0.36 H new ATOM 0 HA LYS A 25 -15.820 -7.152 -4.878 1.00 0.42 H new ATOM 0 HB2 LYS A 25 -18.796 -6.854 -5.263 1.00 0.49 H new ATOM 0 HB3 LYS A 25 -17.838 -8.320 -5.181 1.00 0.49 H new ATOM 0 HG2 LYS A 25 -18.439 -6.453 -2.860 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -19.191 -8.009 -3.149 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -16.258 -8.160 -3.130 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -16.913 -7.544 -1.626 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -16.799 -9.969 -1.499 1.00 0.94 H new ATOM 0 HE3 LYS A 25 -18.481 -9.477 -1.522 1.00 0.94 H new ATOM 0 HZ1 LYS A 25 -17.995 -11.370 -2.984 1.00 1.94 H new ATOM 0 HZ2 LYS A 25 -18.636 -10.046 -3.833 1.00 1.94 H new ATOM 0 HZ3 LYS A 25 -16.975 -10.386 -3.919 1.00 1.94 H new ATOM 372 N GLU A 26 -16.446 -4.741 -6.616 1.00 0.40 N ATOM 373 CA GLU A 26 -16.499 -4.048 -7.897 1.00 0.45 C ATOM 374 C GLU A 26 -15.217 -3.257 -8.106 1.00 0.41 C ATOM 375 O GLU A 26 -14.345 -3.262 -7.244 1.00 0.42 O ATOM 376 CB GLU A 26 -17.710 -3.118 -7.933 1.00 0.49 C ATOM 377 CG GLU A 26 -17.786 -2.182 -6.739 1.00 1.23 C ATOM 378 CD GLU A 26 -19.019 -1.311 -6.763 1.00 1.20 C ATOM 379 OE1 GLU A 26 -18.909 -0.132 -7.156 1.00 1.45 O ATOM 380 OE2 GLU A 26 -20.105 -1.803 -6.399 1.00 1.19 O ATOM 0 H GLU A 26 -16.198 -4.137 -5.833 1.00 0.40 H new ATOM 0 HA GLU A 26 -16.596 -4.779 -8.700 1.00 0.45 H new ATOM 0 HB2 GLU A 26 -17.678 -2.526 -8.848 1.00 0.49 H new ATOM 0 HB3 GLU A 26 -18.619 -3.718 -7.974 1.00 0.49 H new ATOM 0 HG2 GLU A 26 -17.778 -2.769 -5.821 1.00 1.23 H new ATOM 0 HG3 GLU A 26 -16.899 -1.549 -6.721 1.00 1.23 H new ATOM 387 N LYS A 27 -15.079 -2.599 -9.245 1.00 0.48 N ATOM 388 CA LYS A 27 -13.896 -1.787 -9.492 1.00 0.49 C ATOM 389 C LYS A 27 -14.112 -0.356 -9.002 1.00 0.47 C ATOM 390 O LYS A 27 -15.215 0.185 -9.092 1.00 0.68 O ATOM 391 CB LYS A 27 -13.509 -1.793 -10.973 1.00 0.64 C ATOM 392 CG LYS A 27 -14.584 -1.252 -11.903 1.00 1.53 C ATOM 393 CD LYS A 27 -14.001 -0.821 -13.243 1.00 1.71 C ATOM 394 CE LYS A 27 -13.146 0.433 -13.099 1.00 1.60 C ATOM 395 NZ LYS A 27 -12.572 0.882 -14.396 1.00 2.35 N ATOM 0 H LYS A 27 -15.760 -2.609 -10.004 1.00 0.48 H new ATOM 0 HA LYS A 27 -13.072 -2.228 -8.931 1.00 0.49 H new ATOM 0 HB2 LYS A 27 -12.602 -1.202 -11.102 1.00 0.64 H new ATOM 0 HB3 LYS A 27 -13.269 -2.814 -11.270 1.00 0.64 H new ATOM 0 HG2 LYS A 27 -15.344 -2.016 -12.065 1.00 1.53 H new ATOM 0 HG3 LYS A 27 -15.080 -0.404 -11.432 1.00 1.53 H new ATOM 0 HD2 LYS A 27 -13.398 -1.629 -13.656 1.00 1.71 H new ATOM 0 HD3 LYS A 27 -14.809 -0.633 -13.950 1.00 1.71 H new ATOM 0 HE2 LYS A 27 -13.751 1.235 -12.676 1.00 1.60 H new ATOM 0 HE3 LYS A 27 -12.337 0.239 -12.395 1.00 1.60 H new ATOM 0 HZ1 LYS A 27 -11.845 1.605 -14.222 1.00 2.35 H new ATOM 0 HZ2 LYS A 27 -12.144 0.071 -14.886 1.00 2.35 H new ATOM 0 HZ3 LYS A 27 -13.326 1.285 -14.988 1.00 2.35 H new ATOM 409 N VAL A 28 -13.056 0.238 -8.468 1.00 0.43 N ATOM 410 CA VAL A 28 -13.108 1.587 -7.919 1.00 0.42 C ATOM 411 C VAL A 28 -12.110 2.489 -8.638 1.00 0.40 C ATOM 412 O VAL A 28 -10.951 2.117 -8.824 1.00 0.51 O ATOM 413 CB VAL A 28 -12.797 1.591 -6.402 1.00 0.52 C ATOM 414 CG1 VAL A 28 -12.757 3.008 -5.848 1.00 1.16 C ATOM 415 CG2 VAL A 28 -13.802 0.743 -5.633 1.00 1.07 C ATOM 0 H VAL A 28 -12.137 -0.201 -8.402 1.00 0.43 H new ATOM 0 HA VAL A 28 -14.120 1.964 -8.068 1.00 0.42 H new ATOM 0 HB VAL A 28 -11.809 1.151 -6.271 1.00 0.52 H new ATOM 0 HG11 VAL A 28 -12.536 2.975 -4.781 1.00 1.16 H new ATOM 0 HG12 VAL A 28 -11.982 3.578 -6.361 1.00 1.16 H new ATOM 0 HG13 VAL A 28 -13.723 3.487 -6.004 1.00 1.16 H new ATOM 0 HG21 VAL A 28 -13.559 0.764 -4.571 1.00 1.07 H new ATOM 0 HG22 VAL A 28 -14.805 1.142 -5.784 1.00 1.07 H new ATOM 0 HG23 VAL A 28 -13.762 -0.285 -5.994 1.00 1.07 H new ATOM 425 N GLU A 29 -12.567 3.660 -9.054 1.00 0.37 N ATOM 426 CA GLU A 29 -11.701 4.637 -9.696 1.00 0.37 C ATOM 427 C GLU A 29 -11.283 5.717 -8.706 1.00 0.32 C ATOM 428 O GLU A 29 -11.716 5.701 -7.553 1.00 0.33 O ATOM 429 CB GLU A 29 -12.406 5.263 -10.897 1.00 0.45 C ATOM 430 CG GLU A 29 -12.492 4.332 -12.093 1.00 0.74 C ATOM 431 CD GLU A 29 -11.125 3.881 -12.565 1.00 1.33 C ATOM 432 OE1 GLU A 29 -10.273 4.747 -12.853 1.00 1.80 O ATOM 433 OE2 GLU A 29 -10.903 2.656 -12.669 1.00 1.98 O ATOM 0 H GLU A 29 -13.538 3.958 -8.958 1.00 0.37 H new ATOM 0 HA GLU A 29 -10.804 4.125 -10.045 1.00 0.37 H new ATOM 0 HB2 GLU A 29 -13.413 5.561 -10.604 1.00 0.45 H new ATOM 0 HB3 GLU A 29 -11.877 6.170 -11.188 1.00 0.45 H new ATOM 0 HG2 GLU A 29 -13.090 3.459 -11.830 1.00 0.74 H new ATOM 0 HG3 GLU A 29 -13.008 4.838 -12.909 1.00 0.74 H new ATOM 440 N ASN A 30 -10.435 6.643 -9.168 1.00 0.33 N ATOM 441 CA ASN A 30 -9.895 7.720 -8.328 1.00 0.34 C ATOM 442 C ASN A 30 -8.983 7.129 -7.250 1.00 0.27 C ATOM 443 O ASN A 30 -8.697 7.760 -6.231 1.00 0.31 O ATOM 444 CB ASN A 30 -11.031 8.547 -7.694 1.00 0.40 C ATOM 445 CG ASN A 30 -10.549 9.829 -7.029 1.00 1.17 C ATOM 446 OD1 ASN A 30 -9.572 10.447 -7.462 1.00 1.67 O ATOM 447 ND2 ASN A 30 -11.233 10.239 -5.969 1.00 2.06 N ATOM 0 H ASN A 30 -10.104 6.668 -10.132 1.00 0.33 H new ATOM 0 HA ASN A 30 -9.309 8.392 -8.955 1.00 0.34 H new ATOM 0 HB2 ASN A 30 -11.760 8.798 -8.464 1.00 0.40 H new ATOM 0 HB3 ASN A 30 -11.547 7.935 -6.954 1.00 0.40 H new ATOM 0 HD21 ASN A 30 -10.957 11.092 -5.482 1.00 2.06 H new ATOM 0 HD22 ASN A 30 -12.035 9.701 -5.641 1.00 2.06 H new ATOM 454 N ALA A 31 -8.516 5.914 -7.498 1.00 0.21 N ATOM 455 CA ALA A 31 -7.693 5.205 -6.538 1.00 0.18 C ATOM 456 C ALA A 31 -6.213 5.315 -6.891 1.00 0.17 C ATOM 457 O ALA A 31 -5.839 5.431 -8.058 1.00 0.20 O ATOM 458 CB ALA A 31 -8.112 3.749 -6.462 1.00 0.17 C ATOM 0 H ALA A 31 -8.696 5.400 -8.360 1.00 0.21 H new ATOM 0 HA ALA A 31 -7.839 5.667 -5.561 1.00 0.18 H new ATOM 0 HB1 ALA A 31 -7.486 3.228 -5.738 1.00 0.17 H new ATOM 0 HB2 ALA A 31 -9.155 3.686 -6.152 1.00 0.17 H new ATOM 0 HB3 ALA A 31 -7.996 3.285 -7.442 1.00 0.17 H new ATOM 464 N LEU A 32 -5.387 5.291 -5.856 1.00 0.17 N ATOM 465 CA LEU A 32 -3.944 5.447 -5.985 1.00 0.18 C ATOM 466 C LEU A 32 -3.271 4.079 -5.972 1.00 0.17 C ATOM 467 O LEU A 32 -2.223 3.881 -6.573 1.00 0.19 O ATOM 468 CB LEU A 32 -3.384 6.274 -4.817 1.00 0.22 C ATOM 469 CG LEU A 32 -3.746 7.769 -4.747 1.00 0.29 C ATOM 470 CD1 LEU A 32 -5.139 8.060 -5.270 1.00 0.38 C ATOM 471 CD2 LEU A 32 -3.622 8.262 -3.316 1.00 0.28 C ATOM 0 H LEU A 32 -5.701 5.162 -4.894 1.00 0.17 H new ATOM 0 HA LEU A 32 -3.741 5.959 -6.926 1.00 0.18 H new ATOM 0 HB2 LEU A 32 -3.715 5.807 -3.889 1.00 0.22 H new ATOM 0 HB3 LEU A 32 -2.297 6.195 -4.844 1.00 0.22 H new ATOM 0 HG LEU A 32 -3.044 8.299 -5.391 1.00 0.29 H new ATOM 0 HD11 LEU A 32 -5.339 9.129 -5.196 1.00 0.38 H new ATOM 0 HD12 LEU A 32 -5.209 7.749 -6.312 1.00 0.38 H new ATOM 0 HD13 LEU A 32 -5.872 7.512 -4.678 1.00 0.38 H new ATOM 0 HD21 LEU A 32 -3.879 9.320 -3.272 1.00 0.28 H new ATOM 0 HD22 LEU A 32 -4.300 7.697 -2.676 1.00 0.28 H new ATOM 0 HD23 LEU A 32 -2.597 8.123 -2.971 1.00 0.28 H new ATOM 483 N MET A 33 -3.877 3.141 -5.253 1.00 0.15 N ATOM 484 CA MET A 33 -3.316 1.803 -5.111 1.00 0.14 C ATOM 485 C MET A 33 -4.413 0.749 -5.122 1.00 0.12 C ATOM 486 O MET A 33 -5.597 1.077 -5.036 1.00 0.12 O ATOM 487 CB MET A 33 -2.515 1.686 -3.821 1.00 0.14 C ATOM 488 CG MET A 33 -1.194 2.432 -3.830 1.00 0.17 C ATOM 489 SD MET A 33 -0.368 2.348 -2.237 1.00 0.17 S ATOM 490 CE MET A 33 -0.038 0.593 -2.118 1.00 0.20 C ATOM 0 H MET A 33 -4.758 3.283 -4.759 1.00 0.15 H new ATOM 0 HA MET A 33 -2.653 1.634 -5.960 1.00 0.14 H new ATOM 0 HB2 MET A 33 -3.122 2.059 -2.996 1.00 0.14 H new ATOM 0 HB3 MET A 33 -2.321 0.632 -3.623 1.00 0.14 H new ATOM 0 HG2 MET A 33 -0.545 2.012 -4.598 1.00 0.17 H new ATOM 0 HG3 MET A 33 -1.368 3.475 -4.095 1.00 0.17 H new ATOM 0 HE1 MET A 33 -0.314 0.237 -1.125 1.00 0.20 H new ATOM 0 HE2 MET A 33 -0.622 0.061 -2.870 1.00 0.20 H new ATOM 0 HE3 MET A 33 1.023 0.410 -2.286 1.00 0.20 H new ATOM 500 N PHE A 34 -4.012 -0.515 -5.211 1.00 0.12 N ATOM 501 CA PHE A 34 -4.959 -1.610 -5.352 1.00 0.12 C ATOM 502 C PHE A 34 -4.423 -2.885 -4.696 1.00 0.11 C ATOM 503 O PHE A 34 -3.212 -3.078 -4.590 1.00 0.12 O ATOM 504 CB PHE A 34 -5.249 -1.839 -6.843 1.00 0.13 C ATOM 505 CG PHE A 34 -6.060 -3.069 -7.149 1.00 0.15 C ATOM 506 CD1 PHE A 34 -5.437 -4.232 -7.554 1.00 0.17 C ATOM 507 CD2 PHE A 34 -7.440 -3.056 -7.049 1.00 0.19 C ATOM 508 CE1 PHE A 34 -6.168 -5.360 -7.854 1.00 0.21 C ATOM 509 CE2 PHE A 34 -8.181 -4.184 -7.345 1.00 0.23 C ATOM 510 CZ PHE A 34 -7.544 -5.338 -7.748 1.00 0.23 C ATOM 0 H PHE A 34 -3.034 -0.805 -5.188 1.00 0.12 H new ATOM 0 HA PHE A 34 -5.887 -1.348 -4.844 1.00 0.12 H new ATOM 0 HB2 PHE A 34 -5.775 -0.968 -7.234 1.00 0.13 H new ATOM 0 HB3 PHE A 34 -4.301 -1.905 -7.377 1.00 0.13 H new ATOM 0 HD1 PHE A 34 -4.360 -4.258 -7.637 1.00 0.17 H new ATOM 0 HD2 PHE A 34 -7.944 -2.154 -6.736 1.00 0.19 H new ATOM 0 HE1 PHE A 34 -5.665 -6.261 -8.172 1.00 0.21 H new ATOM 0 HE2 PHE A 34 -9.257 -4.162 -7.261 1.00 0.23 H new ATOM 0 HZ PHE A 34 -8.120 -6.222 -7.980 1.00 0.23 H new ATOM 520 N ILE A 35 -5.340 -3.735 -4.259 1.00 0.11 N ATOM 521 CA ILE A 35 -5.009 -5.018 -3.647 1.00 0.12 C ATOM 522 C ILE A 35 -5.801 -6.122 -4.321 1.00 0.12 C ATOM 523 O ILE A 35 -7.014 -5.995 -4.514 1.00 0.16 O ATOM 524 CB ILE A 35 -5.343 -5.063 -2.136 1.00 0.13 C ATOM 525 CG1 ILE A 35 -4.501 -4.062 -1.342 1.00 0.13 C ATOM 526 CG2 ILE A 35 -5.141 -6.472 -1.591 1.00 0.15 C ATOM 527 CD1 ILE A 35 -4.870 -3.988 0.130 1.00 0.14 C ATOM 0 H ILE A 35 -6.342 -3.555 -4.318 1.00 0.11 H new ATOM 0 HA ILE A 35 -3.935 -5.154 -3.772 1.00 0.12 H new ATOM 0 HB ILE A 35 -6.390 -4.782 -2.020 1.00 0.13 H new ATOM 0 HG12 ILE A 35 -3.449 -4.334 -1.431 1.00 0.13 H new ATOM 0 HG13 ILE A 35 -4.613 -3.073 -1.786 1.00 0.13 H new ATOM 0 HG21 ILE A 35 -5.380 -6.488 -0.528 1.00 0.15 H new ATOM 0 HG22 ILE A 35 -5.796 -7.164 -2.121 1.00 0.15 H new ATOM 0 HG23 ILE A 35 -4.103 -6.772 -1.735 1.00 0.15 H new ATOM 0 HD11 ILE A 35 -4.232 -3.258 0.629 1.00 0.14 H new ATOM 0 HD12 ILE A 35 -5.913 -3.686 0.229 1.00 0.14 H new ATOM 0 HD13 ILE A 35 -4.730 -4.966 0.590 1.00 0.14 H new ATOM 539 N LYS A 36 -5.129 -7.202 -4.671 1.00 0.13 N ATOM 540 CA LYS A 36 -5.800 -8.350 -5.250 1.00 0.15 C ATOM 541 C LYS A 36 -5.721 -9.535 -4.302 1.00 0.16 C ATOM 542 O LYS A 36 -4.654 -10.094 -4.110 1.00 0.22 O ATOM 543 CB LYS A 36 -5.130 -8.721 -6.571 1.00 0.25 C ATOM 544 CG LYS A 36 -5.728 -9.951 -7.236 1.00 0.64 C ATOM 545 CD LYS A 36 -7.153 -9.700 -7.693 1.00 0.70 C ATOM 546 CE LYS A 36 -7.196 -8.682 -8.816 1.00 1.57 C ATOM 547 NZ LYS A 36 -8.583 -8.450 -9.292 1.00 2.38 N ATOM 0 H LYS A 36 -4.120 -7.309 -4.565 1.00 0.13 H new ATOM 0 HA LYS A 36 -6.846 -8.096 -5.423 1.00 0.15 H new ATOM 0 HB2 LYS A 36 -5.205 -7.876 -7.256 1.00 0.25 H new ATOM 0 HB3 LYS A 36 -4.069 -8.895 -6.394 1.00 0.25 H new ATOM 0 HG2 LYS A 36 -5.116 -10.237 -8.091 1.00 0.64 H new ATOM 0 HG3 LYS A 36 -5.711 -10.788 -6.538 1.00 0.64 H new ATOM 0 HD2 LYS A 36 -7.600 -10.635 -8.029 1.00 0.70 H new ATOM 0 HD3 LYS A 36 -7.750 -9.345 -6.853 1.00 0.70 H new ATOM 0 HE2 LYS A 36 -6.767 -7.741 -8.471 1.00 1.57 H new ATOM 0 HE3 LYS A 36 -6.579 -9.028 -9.645 1.00 1.57 H new ATOM 0 HZ1 LYS A 36 -8.597 -7.633 -9.936 1.00 2.38 H new ATOM 0 HZ2 LYS A 36 -8.923 -9.294 -9.796 1.00 2.38 H new ATOM 0 HZ3 LYS A 36 -9.202 -8.260 -8.478 1.00 2.38 H new ATOM 561 N PRO A 37 -6.837 -9.957 -3.707 1.00 0.17 N ATOM 562 CA PRO A 37 -6.857 -11.138 -2.855 1.00 0.21 C ATOM 563 C PRO A 37 -6.871 -12.424 -3.665 1.00 0.27 C ATOM 564 O PRO A 37 -7.712 -12.612 -4.547 1.00 0.35 O ATOM 565 CB PRO A 37 -8.159 -10.999 -2.060 1.00 0.24 C ATOM 566 CG PRO A 37 -8.687 -9.640 -2.389 1.00 0.23 C ATOM 567 CD PRO A 37 -8.145 -9.308 -3.747 1.00 0.18 C ATOM 0 HA PRO A 37 -5.969 -11.196 -2.226 1.00 0.21 H new ATOM 0 HB2 PRO A 37 -8.873 -11.775 -2.338 1.00 0.24 H new ATOM 0 HB3 PRO A 37 -7.978 -11.101 -0.990 1.00 0.24 H new ATOM 0 HG2 PRO A 37 -9.777 -9.634 -2.391 1.00 0.23 H new ATOM 0 HG3 PRO A 37 -8.366 -8.906 -1.650 1.00 0.23 H new ATOM 0 HD2 PRO A 37 -8.773 -9.701 -4.546 1.00 0.18 H new ATOM 0 HD3 PRO A 37 -8.064 -8.232 -3.904 1.00 0.18 H new ATOM 575 N THR A 38 -5.929 -13.297 -3.371 1.00 0.31 N ATOM 576 CA THR A 38 -5.885 -14.605 -3.985 1.00 0.38 C ATOM 577 C THR A 38 -6.600 -15.593 -3.086 1.00 0.44 C ATOM 578 O THR A 38 -7.238 -16.542 -3.541 1.00 0.54 O ATOM 579 CB THR A 38 -4.432 -15.035 -4.209 1.00 0.48 C ATOM 580 OG1 THR A 38 -3.731 -15.051 -2.960 1.00 0.86 O ATOM 581 CG2 THR A 38 -3.748 -14.064 -5.149 1.00 0.78 C ATOM 0 H THR A 38 -5.178 -13.120 -2.704 1.00 0.31 H new ATOM 0 HA THR A 38 -6.381 -14.574 -4.955 1.00 0.38 H new ATOM 0 HB THR A 38 -4.424 -16.034 -4.645 1.00 0.48 H new ATOM 0 HG1 THR A 38 -2.857 -15.477 -3.081 1.00 0.86 H new ATOM 0 HG21 THR A 38 -2.715 -14.375 -5.305 1.00 0.78 H new ATOM 0 HG22 THR A 38 -4.272 -14.053 -6.105 1.00 0.78 H new ATOM 0 HG23 THR A 38 -3.765 -13.064 -4.715 1.00 0.78 H new ATOM 589 N LYS A 39 -6.500 -15.329 -1.797 1.00 0.48 N ATOM 590 CA LYS A 39 -7.266 -16.044 -0.804 1.00 0.63 C ATOM 591 C LYS A 39 -8.595 -15.330 -0.655 1.00 0.58 C ATOM 592 O LYS A 39 -8.676 -14.125 -0.910 1.00 0.54 O ATOM 593 CB LYS A 39 -6.525 -16.053 0.530 1.00 0.78 C ATOM 594 CG LYS A 39 -5.079 -16.510 0.427 1.00 0.93 C ATOM 595 CD LYS A 39 -4.969 -17.972 0.034 1.00 1.09 C ATOM 596 CE LYS A 39 -3.518 -18.419 -0.011 1.00 1.65 C ATOM 597 NZ LYS A 39 -3.379 -19.841 -0.424 1.00 2.16 N ATOM 0 H LYS A 39 -5.884 -14.612 -1.413 1.00 0.48 H new ATOM 0 HA LYS A 39 -7.416 -17.079 -1.111 1.00 0.63 H new ATOM 0 HB2 LYS A 39 -6.549 -15.050 0.955 1.00 0.78 H new ATOM 0 HB3 LYS A 39 -7.054 -16.706 1.224 1.00 0.78 H new ATOM 0 HG2 LYS A 39 -4.557 -15.897 -0.308 1.00 0.93 H new ATOM 0 HG3 LYS A 39 -4.581 -16.354 1.384 1.00 0.93 H new ATOM 0 HD2 LYS A 39 -5.520 -18.586 0.747 1.00 1.09 H new ATOM 0 HD3 LYS A 39 -5.430 -18.125 -0.942 1.00 1.09 H new ATOM 0 HE2 LYS A 39 -2.966 -17.785 -0.705 1.00 1.65 H new ATOM 0 HE3 LYS A 39 -3.067 -18.283 0.972 1.00 1.65 H new ATOM 0 HZ1 LYS A 39 -2.372 -20.101 -0.440 1.00 2.16 H new ATOM 0 HZ2 LYS A 39 -3.883 -20.450 0.252 1.00 2.16 H new ATOM 0 HZ3 LYS A 39 -3.785 -19.968 -1.373 1.00 2.16 H new ATOM 611 N GLU A 40 -9.636 -16.051 -0.278 1.00 0.66 N ATOM 612 CA GLU A 40 -10.941 -15.433 -0.107 1.00 0.64 C ATOM 613 C GLU A 40 -10.883 -14.376 0.982 1.00 0.57 C ATOM 614 O GLU A 40 -10.320 -14.596 2.055 1.00 0.62 O ATOM 615 CB GLU A 40 -12.005 -16.479 0.211 1.00 0.76 C ATOM 616 CG GLU A 40 -12.278 -17.430 -0.943 1.00 1.44 C ATOM 617 CD GLU A 40 -13.432 -18.362 -0.660 1.00 1.86 C ATOM 618 OE1 GLU A 40 -14.569 -18.042 -1.056 1.00 2.08 O ATOM 619 OE2 GLU A 40 -13.204 -19.431 -0.052 1.00 2.42 O ATOM 0 H GLU A 40 -9.606 -17.052 -0.086 1.00 0.66 H new ATOM 0 HA GLU A 40 -11.218 -14.952 -1.045 1.00 0.64 H new ATOM 0 HB2 GLU A 40 -11.689 -17.055 1.081 1.00 0.76 H new ATOM 0 HB3 GLU A 40 -12.932 -15.973 0.483 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -12.493 -16.853 -1.843 1.00 1.44 H new ATOM 0 HG3 GLU A 40 -11.382 -18.017 -1.147 1.00 1.44 H new ATOM 626 N VAL A 41 -11.472 -13.232 0.690 1.00 0.53 N ATOM 627 CA VAL A 41 -11.384 -12.082 1.569 1.00 0.49 C ATOM 628 C VAL A 41 -12.382 -12.187 2.708 1.00 0.51 C ATOM 629 O VAL A 41 -13.540 -12.564 2.504 1.00 0.54 O ATOM 630 CB VAL A 41 -11.608 -10.758 0.806 1.00 0.53 C ATOM 631 CG1 VAL A 41 -10.306 -9.991 0.697 1.00 0.73 C ATOM 632 CG2 VAL A 41 -12.189 -11.013 -0.578 1.00 0.69 C ATOM 0 H VAL A 41 -12.020 -13.074 -0.155 1.00 0.53 H new ATOM 0 HA VAL A 41 -10.374 -12.076 1.978 1.00 0.49 H new ATOM 0 HB VAL A 41 -12.326 -10.160 1.367 1.00 0.53 H new ATOM 0 HG11 VAL A 41 -10.477 -9.060 0.157 1.00 0.73 H new ATOM 0 HG12 VAL A 41 -9.930 -9.768 1.696 1.00 0.73 H new ATOM 0 HG13 VAL A 41 -9.573 -10.593 0.160 1.00 0.73 H new ATOM 0 HG21 VAL A 41 -12.336 -10.063 -1.092 1.00 0.69 H new ATOM 0 HG22 VAL A 41 -11.501 -11.634 -1.153 1.00 0.69 H new ATOM 0 HG23 VAL A 41 -13.146 -11.525 -0.482 1.00 0.69 H new ATOM 642 N PRO A 42 -11.912 -11.874 3.928 1.00 0.55 N ATOM 643 CA PRO A 42 -12.709 -11.949 5.154 1.00 0.62 C ATOM 644 C PRO A 42 -14.071 -11.278 5.012 1.00 0.63 C ATOM 645 O PRO A 42 -14.160 -10.074 4.766 1.00 0.64 O ATOM 646 CB PRO A 42 -11.853 -11.186 6.163 1.00 0.68 C ATOM 647 CG PRO A 42 -10.458 -11.358 5.686 1.00 0.65 C ATOM 648 CD PRO A 42 -10.534 -11.424 4.195 1.00 0.58 C ATOM 0 HA PRO A 42 -12.929 -12.979 5.435 1.00 0.62 H new ATOM 0 HB2 PRO A 42 -12.131 -10.133 6.201 1.00 0.68 H new ATOM 0 HB3 PRO A 42 -11.979 -11.585 7.170 1.00 0.68 H new ATOM 0 HG2 PRO A 42 -9.831 -10.526 6.008 1.00 0.65 H new ATOM 0 HG3 PRO A 42 -10.016 -12.267 6.094 1.00 0.65 H new ATOM 0 HD2 PRO A 42 -10.336 -10.453 3.742 1.00 0.58 H new ATOM 0 HD3 PRO A 42 -9.801 -12.120 3.788 1.00 0.58 H new ATOM 656 N GLU A 43 -15.124 -12.056 5.215 1.00 0.69 N ATOM 657 CA GLU A 43 -16.475 -11.599 4.998 1.00 0.75 C ATOM 658 C GLU A 43 -16.923 -10.597 6.048 1.00 0.81 C ATOM 659 O GLU A 43 -17.619 -9.627 5.735 1.00 0.83 O ATOM 660 CB GLU A 43 -17.411 -12.788 5.010 1.00 0.85 C ATOM 661 CG GLU A 43 -17.468 -13.537 3.693 1.00 1.21 C ATOM 662 CD GLU A 43 -18.568 -14.571 3.669 1.00 1.68 C ATOM 663 OE1 GLU A 43 -18.289 -15.747 3.983 1.00 2.28 O ATOM 664 OE2 GLU A 43 -19.719 -14.220 3.334 1.00 1.87 O ATOM 0 H GLU A 43 -15.058 -13.022 5.535 1.00 0.69 H new ATOM 0 HA GLU A 43 -16.501 -11.095 4.032 1.00 0.75 H new ATOM 0 HB2 GLU A 43 -17.098 -13.476 5.795 1.00 0.85 H new ATOM 0 HB3 GLU A 43 -18.414 -12.446 5.266 1.00 0.85 H new ATOM 0 HG2 GLU A 43 -17.622 -12.827 2.880 1.00 1.21 H new ATOM 0 HG3 GLU A 43 -16.510 -14.025 3.513 1.00 1.21 H new ATOM 671 N PHE A 44 -16.524 -10.825 7.290 1.00 0.86 N ATOM 672 CA PHE A 44 -16.983 -9.990 8.384 1.00 0.97 C ATOM 673 C PHE A 44 -16.337 -8.617 8.313 1.00 0.96 C ATOM 674 O PHE A 44 -16.857 -7.646 8.850 1.00 1.02 O ATOM 675 CB PHE A 44 -16.694 -10.638 9.732 1.00 1.11 C ATOM 676 CG PHE A 44 -17.338 -11.987 9.899 1.00 1.69 C ATOM 677 CD1 PHE A 44 -16.560 -13.127 10.006 1.00 2.33 C ATOM 678 CD2 PHE A 44 -18.716 -12.114 9.949 1.00 1.86 C ATOM 679 CE1 PHE A 44 -17.144 -14.368 10.163 1.00 3.18 C ATOM 680 CE2 PHE A 44 -19.306 -13.353 10.105 1.00 2.66 C ATOM 681 CZ PHE A 44 -18.532 -14.475 10.203 1.00 3.34 C ATOM 0 H PHE A 44 -15.889 -11.575 7.562 1.00 0.86 H new ATOM 0 HA PHE A 44 -18.063 -9.877 8.287 1.00 0.97 H new ATOM 0 HB2 PHE A 44 -15.616 -10.741 9.853 1.00 1.11 H new ATOM 0 HB3 PHE A 44 -17.042 -9.977 10.526 1.00 1.11 H new ATOM 0 HD1 PHE A 44 -15.484 -13.045 9.966 1.00 2.33 H new ATOM 0 HD2 PHE A 44 -19.337 -11.234 9.865 1.00 1.86 H new ATOM 0 HE1 PHE A 44 -16.528 -15.251 10.254 1.00 3.18 H new ATOM 0 HE2 PHE A 44 -20.382 -13.435 10.150 1.00 2.66 H new ATOM 0 HZ PHE A 44 -18.996 -15.444 10.311 1.00 3.34 H new ATOM 691 N LYS A 45 -15.204 -8.545 7.638 1.00 0.90 N ATOM 692 CA LYS A 45 -14.513 -7.283 7.435 1.00 0.93 C ATOM 693 C LYS A 45 -15.307 -6.366 6.513 1.00 0.89 C ATOM 694 O LYS A 45 -15.385 -5.159 6.743 1.00 0.98 O ATOM 695 CB LYS A 45 -13.115 -7.531 6.879 1.00 0.94 C ATOM 696 CG LYS A 45 -12.083 -7.797 7.963 1.00 1.07 C ATOM 697 CD LYS A 45 -12.473 -8.956 8.871 1.00 1.09 C ATOM 698 CE LYS A 45 -11.443 -9.162 9.969 1.00 1.27 C ATOM 699 NZ LYS A 45 -11.912 -10.120 11.004 1.00 1.94 N ATOM 0 H LYS A 45 -14.740 -9.351 7.218 1.00 0.90 H new ATOM 0 HA LYS A 45 -14.420 -6.784 8.400 1.00 0.93 H new ATOM 0 HB2 LYS A 45 -13.146 -8.382 6.198 1.00 0.94 H new ATOM 0 HB3 LYS A 45 -12.804 -6.666 6.294 1.00 0.94 H new ATOM 0 HG2 LYS A 45 -11.121 -8.012 7.498 1.00 1.07 H new ATOM 0 HG3 LYS A 45 -11.953 -6.897 8.564 1.00 1.07 H new ATOM 0 HD2 LYS A 45 -13.449 -8.761 9.316 1.00 1.09 H new ATOM 0 HD3 LYS A 45 -12.568 -9.868 8.281 1.00 1.09 H new ATOM 0 HE2 LYS A 45 -10.515 -9.529 9.530 1.00 1.27 H new ATOM 0 HE3 LYS A 45 -11.217 -8.204 10.438 1.00 1.27 H new ATOM 0 HZ1 LYS A 45 -11.178 -10.230 11.733 1.00 1.94 H new ATOM 0 HZ2 LYS A 45 -12.784 -9.759 11.442 1.00 1.94 H new ATOM 0 HZ3 LYS A 45 -12.103 -11.042 10.563 1.00 1.94 H new ATOM 713 N PHE A 46 -15.912 -6.947 5.484 1.00 0.79 N ATOM 714 CA PHE A 46 -16.746 -6.187 4.558 1.00 0.78 C ATOM 715 C PHE A 46 -17.930 -5.562 5.281 1.00 0.83 C ATOM 716 O PHE A 46 -18.226 -4.379 5.114 1.00 0.93 O ATOM 717 CB PHE A 46 -17.272 -7.084 3.440 1.00 0.74 C ATOM 718 CG PHE A 46 -16.241 -7.479 2.422 1.00 0.65 C ATOM 719 CD1 PHE A 46 -15.675 -8.739 2.443 1.00 0.72 C ATOM 720 CD2 PHE A 46 -15.850 -6.587 1.436 1.00 0.64 C ATOM 721 CE1 PHE A 46 -14.736 -9.107 1.502 1.00 0.66 C ATOM 722 CE2 PHE A 46 -14.909 -6.949 0.491 1.00 0.58 C ATOM 723 CZ PHE A 46 -14.351 -8.210 0.524 1.00 0.54 C ATOM 0 H PHE A 46 -15.841 -7.942 5.269 1.00 0.79 H new ATOM 0 HA PHE A 46 -16.124 -5.400 4.132 1.00 0.78 H new ATOM 0 HB2 PHE A 46 -17.692 -7.987 3.883 1.00 0.74 H new ATOM 0 HB3 PHE A 46 -18.088 -6.570 2.932 1.00 0.74 H new ATOM 0 HD1 PHE A 46 -15.971 -9.444 3.205 1.00 0.72 H new ATOM 0 HD2 PHE A 46 -16.285 -5.599 1.406 1.00 0.64 H new ATOM 0 HE1 PHE A 46 -14.302 -10.096 1.530 1.00 0.66 H new ATOM 0 HE2 PHE A 46 -14.611 -6.246 -0.272 1.00 0.58 H new ATOM 0 HZ PHE A 46 -13.615 -8.496 -0.213 1.00 0.54 H new ATOM 733 N VAL A 47 -18.597 -6.369 6.090 1.00 0.81 N ATOM 734 CA VAL A 47 -19.805 -5.945 6.779 1.00 0.88 C ATOM 735 C VAL A 47 -19.484 -5.025 7.961 1.00 0.87 C ATOM 736 O VAL A 47 -20.243 -4.107 8.268 1.00 0.92 O ATOM 737 CB VAL A 47 -20.624 -7.168 7.250 1.00 0.97 C ATOM 738 CG1 VAL A 47 -19.825 -8.024 8.216 1.00 0.98 C ATOM 739 CG2 VAL A 47 -21.941 -6.732 7.863 1.00 1.07 C ATOM 0 H VAL A 47 -18.319 -7.330 6.287 1.00 0.81 H new ATOM 0 HA VAL A 47 -20.406 -5.377 6.069 1.00 0.88 H new ATOM 0 HB VAL A 47 -20.847 -7.780 6.376 1.00 0.97 H new ATOM 0 HG11 VAL A 47 -20.427 -8.877 8.530 1.00 0.98 H new ATOM 0 HG12 VAL A 47 -18.920 -8.380 7.724 1.00 0.98 H new ATOM 0 HG13 VAL A 47 -19.553 -7.431 9.089 1.00 0.98 H new ATOM 0 HG21 VAL A 47 -22.500 -7.610 8.187 1.00 1.07 H new ATOM 0 HG22 VAL A 47 -21.748 -6.088 8.721 1.00 1.07 H new ATOM 0 HG23 VAL A 47 -22.523 -6.184 7.122 1.00 1.07 H new ATOM 749 N ASN A 48 -18.343 -5.252 8.602 1.00 0.86 N ATOM 750 CA ASN A 48 -17.947 -4.455 9.759 1.00 0.90 C ATOM 751 C ASN A 48 -17.470 -3.075 9.334 1.00 0.82 C ATOM 752 O ASN A 48 -17.829 -2.069 9.945 1.00 0.91 O ATOM 753 CB ASN A 48 -16.851 -5.174 10.552 1.00 0.96 C ATOM 754 CG ASN A 48 -16.313 -4.347 11.705 1.00 1.07 C ATOM 755 OD1 ASN A 48 -15.318 -3.636 11.563 1.00 1.50 O ATOM 756 ND2 ASN A 48 -16.961 -4.439 12.854 1.00 1.66 N ATOM 0 H ASN A 48 -17.677 -5.979 8.342 1.00 0.86 H new ATOM 0 HA ASN A 48 -18.821 -4.331 10.398 1.00 0.90 H new ATOM 0 HB2 ASN A 48 -17.247 -6.113 10.939 1.00 0.96 H new ATOM 0 HB3 ASN A 48 -16.031 -5.427 9.880 1.00 0.96 H new ATOM 0 HD21 ASN A 48 -16.640 -3.909 13.664 1.00 1.66 H new ATOM 0 HD22 ASN A 48 -17.782 -5.040 12.930 1.00 1.66 H new ATOM 763 N ARG A 49 -16.669 -3.026 8.277 1.00 0.69 N ATOM 764 CA ARG A 49 -16.153 -1.759 7.780 1.00 0.63 C ATOM 765 C ARG A 49 -17.189 -1.046 6.921 1.00 0.58 C ATOM 766 O ARG A 49 -17.049 0.139 6.632 1.00 0.57 O ATOM 767 CB ARG A 49 -14.875 -1.968 6.973 1.00 0.59 C ATOM 768 CG ARG A 49 -13.703 -2.499 7.780 1.00 0.92 C ATOM 769 CD ARG A 49 -12.454 -2.641 6.919 1.00 1.01 C ATOM 770 NE ARG A 49 -11.333 -3.225 7.658 1.00 1.28 N ATOM 771 CZ ARG A 49 -10.052 -3.108 7.297 1.00 1.45 C ATOM 772 NH1 ARG A 49 -9.712 -2.395 6.231 1.00 1.66 N ATOM 773 NH2 ARG A 49 -9.102 -3.693 8.010 1.00 2.00 N ATOM 0 H ARG A 49 -16.364 -3.845 7.750 1.00 0.69 H new ATOM 0 HA ARG A 49 -15.926 -1.137 8.646 1.00 0.63 H new ATOM 0 HB2 ARG A 49 -15.084 -2.662 6.158 1.00 0.59 H new ATOM 0 HB3 ARG A 49 -14.588 -1.020 6.519 1.00 0.59 H new ATOM 0 HG2 ARG A 49 -13.498 -1.826 8.613 1.00 0.92 H new ATOM 0 HG3 ARG A 49 -13.963 -3.467 8.209 1.00 0.92 H new ATOM 0 HD2 ARG A 49 -12.681 -3.265 6.054 1.00 1.01 H new ATOM 0 HD3 ARG A 49 -12.164 -1.661 6.538 1.00 1.01 H new ATOM 0 HE ARG A 49 -11.544 -3.756 8.503 1.00 1.28 H new ATOM 0 HH11 ARG A 49 -10.432 -1.929 5.678 1.00 1.66 H new ATOM 0 HH12 ARG A 49 -8.731 -2.312 5.964 1.00 1.66 H new ATOM 0 HH21 ARG A 49 -9.347 -4.235 8.838 1.00 2.00 H new ATOM 0 HH22 ARG A 49 -8.125 -3.601 7.731 1.00 2.00 H new ATOM 787 N ASN A 50 -18.223 -1.789 6.509 1.00 0.60 N ATOM 788 CA ASN A 50 -19.271 -1.263 5.624 1.00 0.63 C ATOM 789 C ASN A 50 -18.688 -0.977 4.236 1.00 0.54 C ATOM 790 O ASN A 50 -19.306 -0.344 3.384 1.00 0.61 O ATOM 791 CB ASN A 50 -19.918 -0.013 6.251 1.00 0.71 C ATOM 792 CG ASN A 50 -21.051 0.576 5.429 1.00 1.46 C ATOM 793 OD1 ASN A 50 -20.863 1.548 4.695 1.00 2.26 O ATOM 794 ND2 ASN A 50 -22.232 -0.008 5.539 1.00 2.05 N ATOM 0 H ASN A 50 -18.357 -2.764 6.777 1.00 0.60 H new ATOM 0 HA ASN A 50 -20.057 -2.009 5.503 1.00 0.63 H new ATOM 0 HB2 ASN A 50 -20.297 -0.270 7.240 1.00 0.71 H new ATOM 0 HB3 ASN A 50 -19.151 0.749 6.391 1.00 0.71 H new ATOM 0 HD21 ASN A 50 -23.027 0.344 5.006 1.00 2.05 H new ATOM 0 HD22 ASN A 50 -22.348 -0.811 6.157 1.00 2.05 H new ATOM 801 N GLY A 51 -17.481 -1.487 4.024 1.00 0.46 N ATOM 802 CA GLY A 51 -16.781 -1.308 2.766 1.00 0.41 C ATOM 803 C GLY A 51 -15.983 -0.019 2.733 1.00 0.33 C ATOM 804 O GLY A 51 -15.101 0.152 1.892 1.00 0.34 O ATOM 0 H GLY A 51 -16.966 -2.032 4.716 1.00 0.46 H new ATOM 0 HA2 GLY A 51 -16.111 -2.152 2.601 1.00 0.41 H new ATOM 0 HA3 GLY A 51 -17.501 -1.308 1.948 1.00 0.41 H new ATOM 808 N LYS A 52 -16.277 0.873 3.667 1.00 0.29 N ATOM 809 CA LYS A 52 -15.580 2.145 3.762 1.00 0.29 C ATOM 810 C LYS A 52 -14.642 2.143 4.961 1.00 0.30 C ATOM 811 O LYS A 52 -15.072 1.888 6.081 1.00 0.36 O ATOM 812 CB LYS A 52 -16.587 3.288 3.895 1.00 0.34 C ATOM 813 CG LYS A 52 -17.608 3.340 2.774 1.00 1.14 C ATOM 814 CD LYS A 52 -18.517 4.545 2.921 1.00 1.28 C ATOM 815 CE LYS A 52 -17.822 5.835 2.510 1.00 1.67 C ATOM 816 NZ LYS A 52 -17.513 5.862 1.056 1.00 2.43 N ATOM 0 H LYS A 52 -16.999 0.737 4.374 1.00 0.29 H new ATOM 0 HA LYS A 52 -14.994 2.290 2.854 1.00 0.29 H new ATOM 0 HB2 LYS A 52 -17.110 3.189 4.846 1.00 0.34 H new ATOM 0 HB3 LYS A 52 -16.046 4.234 3.925 1.00 0.34 H new ATOM 0 HG2 LYS A 52 -17.096 3.382 1.813 1.00 1.14 H new ATOM 0 HG3 LYS A 52 -18.204 2.428 2.778 1.00 1.14 H new ATOM 0 HD2 LYS A 52 -19.409 4.403 2.311 1.00 1.28 H new ATOM 0 HD3 LYS A 52 -18.848 4.625 3.956 1.00 1.28 H new ATOM 0 HE2 LYS A 52 -18.457 6.685 2.762 1.00 1.67 H new ATOM 0 HE3 LYS A 52 -16.899 5.947 3.079 1.00 1.67 H new ATOM 0 HZ1 LYS A 52 -17.346 6.843 0.755 1.00 2.43 H new ATOM 0 HZ2 LYS A 52 -16.662 5.293 0.871 1.00 2.43 H new ATOM 0 HZ3 LYS A 52 -18.315 5.468 0.523 1.00 2.43 H new ATOM 830 N ASN A 53 -13.368 2.420 4.744 1.00 0.30 N ATOM 831 CA ASN A 53 -12.434 2.495 5.858 1.00 0.34 C ATOM 832 C ASN A 53 -11.334 3.510 5.591 1.00 0.27 C ATOM 833 O ASN A 53 -10.575 3.387 4.629 1.00 0.24 O ATOM 834 CB ASN A 53 -11.821 1.123 6.134 1.00 0.43 C ATOM 835 CG ASN A 53 -10.967 1.105 7.391 1.00 1.14 C ATOM 836 OD1 ASN A 53 -9.970 0.390 7.461 1.00 1.72 O ATOM 837 ND2 ASN A 53 -11.363 1.868 8.401 1.00 2.05 N ATOM 0 H ASN A 53 -12.960 2.594 3.825 1.00 0.30 H new ATOM 0 HA ASN A 53 -12.992 2.821 6.736 1.00 0.34 H new ATOM 0 HB2 ASN A 53 -12.618 0.386 6.231 1.00 0.43 H new ATOM 0 HB3 ASN A 53 -11.212 0.823 5.281 1.00 0.43 H new ATOM 0 HD21 ASN A 53 -10.834 1.874 9.273 1.00 2.05 H new ATOM 0 HD22 ASN A 53 -12.196 2.449 8.305 1.00 2.05 H new ATOM 844 N GLU A 54 -11.253 4.512 6.453 1.00 0.30 N ATOM 845 CA GLU A 54 -10.205 5.514 6.359 1.00 0.28 C ATOM 846 C GLU A 54 -8.966 5.035 7.103 1.00 0.28 C ATOM 847 O GLU A 54 -9.015 4.728 8.294 1.00 0.40 O ATOM 848 CB GLU A 54 -10.691 6.849 6.924 1.00 0.33 C ATOM 849 CG GLU A 54 -11.842 7.451 6.135 1.00 0.35 C ATOM 850 CD GLU A 54 -12.415 8.685 6.796 1.00 0.87 C ATOM 851 OE1 GLU A 54 -13.307 8.537 7.656 1.00 1.15 O ATOM 852 OE2 GLU A 54 -11.985 9.808 6.458 1.00 1.47 O ATOM 0 H GLU A 54 -11.903 4.652 7.227 1.00 0.30 H new ATOM 0 HA GLU A 54 -9.949 5.663 5.310 1.00 0.28 H new ATOM 0 HB2 GLU A 54 -11.004 6.706 7.958 1.00 0.33 H new ATOM 0 HB3 GLU A 54 -9.860 7.554 6.937 1.00 0.33 H new ATOM 0 HG2 GLU A 54 -11.497 7.707 5.133 1.00 0.35 H new ATOM 0 HG3 GLU A 54 -12.629 6.706 6.021 1.00 0.35 H new ATOM 859 N LEU A 55 -7.862 4.975 6.379 1.00 0.21 N ATOM 860 CA LEU A 55 -6.610 4.445 6.897 1.00 0.22 C ATOM 861 C LEU A 55 -5.871 5.481 7.735 1.00 0.24 C ATOM 862 O LEU A 55 -5.596 5.260 8.913 1.00 0.32 O ATOM 863 CB LEU A 55 -5.729 4.005 5.726 1.00 0.21 C ATOM 864 CG LEU A 55 -6.053 2.639 5.126 1.00 0.20 C ATOM 865 CD1 LEU A 55 -5.335 2.474 3.799 1.00 0.45 C ATOM 866 CD2 LEU A 55 -5.663 1.521 6.083 1.00 0.54 C ATOM 0 H LEU A 55 -7.807 5.293 5.412 1.00 0.21 H new ATOM 0 HA LEU A 55 -6.835 3.594 7.540 1.00 0.22 H new ATOM 0 HB2 LEU A 55 -5.805 4.754 4.938 1.00 0.21 H new ATOM 0 HB3 LEU A 55 -4.691 3.997 6.060 1.00 0.21 H new ATOM 0 HG LEU A 55 -7.128 2.580 4.958 1.00 0.20 H new ATOM 0 HD11 LEU A 55 -5.571 1.497 3.377 1.00 0.45 H new ATOM 0 HD12 LEU A 55 -5.659 3.255 3.111 1.00 0.45 H new ATOM 0 HD13 LEU A 55 -4.259 2.552 3.955 1.00 0.45 H new ATOM 0 HD21 LEU A 55 -5.903 0.557 5.634 1.00 0.54 H new ATOM 0 HD22 LEU A 55 -4.593 1.571 6.284 1.00 0.54 H new ATOM 0 HD23 LEU A 55 -6.213 1.633 7.017 1.00 0.54 H new ATOM 878 N ILE A 56 -5.561 6.608 7.118 1.00 0.21 N ATOM 879 CA ILE A 56 -4.792 7.660 7.763 1.00 0.22 C ATOM 880 C ILE A 56 -5.295 9.013 7.268 1.00 0.22 C ATOM 881 O ILE A 56 -5.805 9.103 6.154 1.00 0.22 O ATOM 882 CB ILE A 56 -3.285 7.502 7.449 1.00 0.21 C ATOM 883 CG1 ILE A 56 -2.441 8.444 8.309 1.00 0.23 C ATOM 884 CG2 ILE A 56 -3.027 7.769 5.976 1.00 0.18 C ATOM 885 CD1 ILE A 56 -0.951 8.207 8.195 1.00 0.25 C ATOM 0 H ILE A 56 -5.834 6.820 6.158 1.00 0.21 H new ATOM 0 HA ILE A 56 -4.920 7.592 8.843 1.00 0.22 H new ATOM 0 HB ILE A 56 -2.996 6.478 7.683 1.00 0.21 H new ATOM 0 HG12 ILE A 56 -2.658 9.473 8.024 1.00 0.23 H new ATOM 0 HG13 ILE A 56 -2.738 8.333 9.352 1.00 0.23 H new ATOM 0 HG21 ILE A 56 -1.963 7.655 5.766 1.00 0.18 H new ATOM 0 HG22 ILE A 56 -3.594 7.060 5.373 1.00 0.18 H new ATOM 0 HG23 ILE A 56 -3.338 8.784 5.730 1.00 0.18 H new ATOM 0 HD11 ILE A 56 -0.420 8.913 8.834 1.00 0.25 H new ATOM 0 HD12 ILE A 56 -0.719 7.189 8.509 1.00 0.25 H new ATOM 0 HD13 ILE A 56 -0.638 8.348 7.160 1.00 0.25 H new ATOM 897 N ARG A 57 -5.174 10.058 8.076 1.00 0.26 N ATOM 898 CA ARG A 57 -5.720 11.354 7.691 1.00 0.27 C ATOM 899 C ARG A 57 -4.798 12.509 8.052 1.00 0.29 C ATOM 900 O ARG A 57 -3.769 12.320 8.701 1.00 0.34 O ATOM 901 CB ARG A 57 -7.095 11.576 8.315 1.00 0.37 C ATOM 902 CG ARG A 57 -7.099 11.639 9.830 1.00 0.49 C ATOM 903 CD ARG A 57 -7.826 12.882 10.302 1.00 0.88 C ATOM 904 NE ARG A 57 -8.147 12.841 11.723 1.00 1.34 N ATOM 905 CZ ARG A 57 -9.005 13.673 12.307 1.00 1.83 C ATOM 906 NH1 ARG A 57 -9.615 14.612 11.590 1.00 1.96 N ATOM 907 NH2 ARG A 57 -9.251 13.564 13.606 1.00 2.23 N ATOM 0 H ARG A 57 -4.712 10.037 8.985 1.00 0.26 H new ATOM 0 HA ARG A 57 -5.815 11.335 6.605 1.00 0.27 H new ATOM 0 HB2 ARG A 57 -7.511 12.505 7.925 1.00 0.37 H new ATOM 0 HB3 ARG A 57 -7.758 10.772 7.996 1.00 0.37 H new ATOM 0 HG2 ARG A 57 -7.582 10.750 10.237 1.00 0.49 H new ATOM 0 HG3 ARG A 57 -6.075 11.644 10.203 1.00 0.49 H new ATOM 0 HD2 ARG A 57 -7.210 13.758 10.098 1.00 0.88 H new ATOM 0 HD3 ARG A 57 -8.746 12.999 9.729 1.00 0.88 H new ATOM 0 HE ARG A 57 -7.689 12.136 12.301 1.00 1.34 H new ATOM 0 HH11 ARG A 57 -9.425 14.695 10.591 1.00 1.96 H new ATOM 0 HH12 ARG A 57 -10.273 15.249 12.039 1.00 1.96 H new ATOM 0 HH21 ARG A 57 -8.783 12.843 14.155 1.00 2.23 H new ATOM 0 HH22 ARG A 57 -9.909 14.201 14.056 1.00 2.23 H new ATOM 921 N ASN A 58 -5.194 13.700 7.601 1.00 0.30 N ATOM 922 CA ASN A 58 -4.458 14.939 7.826 1.00 0.33 C ATOM 923 C ASN A 58 -3.099 14.883 7.123 1.00 0.31 C ATOM 924 O ASN A 58 -2.062 15.209 7.696 1.00 0.33 O ATOM 925 CB ASN A 58 -4.312 15.187 9.331 1.00 0.39 C ATOM 926 CG ASN A 58 -3.921 16.614 9.677 1.00 0.46 C ATOM 927 OD1 ASN A 58 -2.632 16.870 9.788 1.00 1.01 O flip ATOM 928 ND2 ASN A 58 -4.779 17.476 9.860 1.00 1.40 N flip ATOM 0 H ASN A 58 -6.049 13.830 7.061 1.00 0.30 H new ATOM 0 HA ASN A 58 -5.011 15.776 7.400 1.00 0.33 H new ATOM 0 HB2 ASN A 58 -5.255 14.948 9.823 1.00 0.39 H new ATOM 0 HB3 ASN A 58 -3.561 14.506 9.732 1.00 0.39 H new ATOM 0 HD21 ASN A 58 -5.767 17.240 9.765 1.00 1.40 H new ATOM 0 HD22 ASN A 58 -4.503 18.426 10.107 1.00 1.40 H new ATOM 935 N LEU A 59 -3.123 14.463 5.860 1.00 0.28 N ATOM 936 CA LEU A 59 -1.906 14.318 5.066 1.00 0.27 C ATOM 937 C LEU A 59 -1.381 15.675 4.602 1.00 0.33 C ATOM 938 O LEU A 59 -0.246 15.792 4.143 1.00 0.33 O ATOM 939 CB LEU A 59 -2.182 13.439 3.847 1.00 0.24 C ATOM 940 CG LEU A 59 -2.847 12.092 4.145 1.00 0.20 C ATOM 941 CD1 LEU A 59 -3.075 11.310 2.860 1.00 0.19 C ATOM 942 CD2 LEU A 59 -2.008 11.279 5.115 1.00 0.20 C ATOM 0 H LEU A 59 -3.978 14.216 5.362 1.00 0.28 H new ATOM 0 HA LEU A 59 -1.149 13.852 5.696 1.00 0.27 H new ATOM 0 HB2 LEU A 59 -2.817 13.994 3.157 1.00 0.24 H new ATOM 0 HB3 LEU A 59 -1.239 13.253 3.333 1.00 0.24 H new ATOM 0 HG LEU A 59 -3.814 12.288 4.608 1.00 0.20 H new ATOM 0 HD11 LEU A 59 -3.548 10.356 3.094 1.00 0.19 H new ATOM 0 HD12 LEU A 59 -3.722 11.883 2.195 1.00 0.19 H new ATOM 0 HD13 LEU A 59 -2.119 11.130 2.369 1.00 0.19 H new ATOM 0 HD21 LEU A 59 -2.500 10.327 5.312 1.00 0.20 H new ATOM 0 HD22 LEU A 59 -1.025 11.097 4.681 1.00 0.20 H new ATOM 0 HD23 LEU A 59 -1.896 11.829 6.049 1.00 0.20 H new ATOM 954 N GLN A 60 -2.228 16.689 4.703 1.00 0.40 N ATOM 955 CA GLN A 60 -1.879 18.044 4.274 1.00 0.49 C ATOM 956 C GLN A 60 -0.601 18.565 4.928 1.00 0.51 C ATOM 957 O GLN A 60 0.276 19.099 4.251 1.00 0.53 O ATOM 958 CB GLN A 60 -3.003 19.001 4.619 1.00 0.62 C ATOM 959 CG GLN A 60 -2.775 20.413 4.104 1.00 0.81 C ATOM 960 CD GLN A 60 -3.826 21.395 4.581 1.00 1.00 C ATOM 961 OE1 GLN A 60 -4.383 21.252 5.670 1.00 1.76 O ATOM 962 NE2 GLN A 60 -4.107 22.399 3.768 1.00 1.27 N ATOM 0 H GLN A 60 -3.171 16.602 5.081 1.00 0.40 H new ATOM 0 HA GLN A 60 -1.717 17.991 3.197 1.00 0.49 H new ATOM 0 HB2 GLN A 60 -3.936 18.618 4.205 1.00 0.62 H new ATOM 0 HB3 GLN A 60 -3.124 19.032 5.702 1.00 0.62 H new ATOM 0 HG2 GLN A 60 -1.792 20.757 4.426 1.00 0.81 H new ATOM 0 HG3 GLN A 60 -2.767 20.399 3.014 1.00 0.81 H new ATOM 0 HE21 GLN A 60 -3.623 22.482 2.874 1.00 1.27 H new ATOM 0 HE22 GLN A 60 -4.808 23.091 4.035 1.00 1.27 H new ATOM 971 N SER A 61 -0.492 18.405 6.240 1.00 0.53 N ATOM 972 CA SER A 61 0.607 19.004 6.984 1.00 0.60 C ATOM 973 C SER A 61 1.873 18.181 6.853 1.00 0.48 C ATOM 974 O SER A 61 2.982 18.674 7.073 1.00 0.56 O ATOM 975 CB SER A 61 0.220 19.152 8.454 1.00 0.79 C ATOM 976 OG SER A 61 -0.250 17.923 8.978 1.00 1.59 O ATOM 0 H SER A 61 -1.147 17.868 6.808 1.00 0.53 H new ATOM 0 HA SER A 61 0.806 19.990 6.564 1.00 0.60 H new ATOM 0 HB2 SER A 61 1.082 19.491 9.029 1.00 0.79 H new ATOM 0 HB3 SER A 61 -0.552 19.915 8.556 1.00 0.79 H new ATOM 0 HG SER A 61 -1.216 17.982 9.134 1.00 1.59 H new ATOM 982 N ASP A 62 1.706 16.933 6.475 1.00 0.41 N ATOM 983 CA ASP A 62 2.832 16.018 6.365 1.00 0.41 C ATOM 984 C ASP A 62 2.595 15.017 5.249 1.00 0.36 C ATOM 985 O ASP A 62 1.721 14.155 5.346 1.00 0.33 O ATOM 986 CB ASP A 62 3.059 15.288 7.689 1.00 0.52 C ATOM 987 CG ASP A 62 4.306 14.425 7.667 1.00 1.18 C ATOM 988 OD1 ASP A 62 4.197 13.229 7.320 1.00 1.92 O ATOM 989 OD2 ASP A 62 5.398 14.929 7.991 1.00 1.41 O ATOM 0 H ASP A 62 0.803 16.524 6.237 1.00 0.41 H new ATOM 0 HA ASP A 62 3.724 16.598 6.129 1.00 0.41 H new ATOM 0 HB2 ASP A 62 3.140 16.018 8.494 1.00 0.52 H new ATOM 0 HB3 ASP A 62 2.193 14.664 7.910 1.00 0.52 H new ATOM 994 N LYS A 63 3.379 15.139 4.191 1.00 0.39 N ATOM 995 CA LYS A 63 3.220 14.296 3.018 1.00 0.40 C ATOM 996 C LYS A 63 3.637 12.868 3.323 1.00 0.33 C ATOM 997 O LYS A 63 3.120 11.917 2.739 1.00 0.30 O ATOM 998 CB LYS A 63 4.052 14.843 1.859 1.00 0.52 C ATOM 999 CG LYS A 63 5.555 14.800 2.091 1.00 1.06 C ATOM 1000 CD LYS A 63 6.288 14.138 0.932 1.00 1.18 C ATOM 1001 CE LYS A 63 6.025 14.832 -0.397 1.00 1.00 C ATOM 1002 NZ LYS A 63 6.605 16.196 -0.446 1.00 1.68 N ATOM 0 H LYS A 63 4.137 15.818 4.121 1.00 0.39 H new ATOM 0 HA LYS A 63 2.167 14.299 2.735 1.00 0.40 H new ATOM 0 HB2 LYS A 63 3.819 14.273 0.959 1.00 0.52 H new ATOM 0 HB3 LYS A 63 3.755 15.874 1.669 1.00 0.52 H new ATOM 0 HG2 LYS A 63 5.931 15.814 2.227 1.00 1.06 H new ATOM 0 HG3 LYS A 63 5.765 14.256 3.012 1.00 1.06 H new ATOM 0 HD2 LYS A 63 7.359 14.142 1.134 1.00 1.18 H new ATOM 0 HD3 LYS A 63 5.981 13.095 0.860 1.00 1.18 H new ATOM 0 HE2 LYS A 63 6.443 14.233 -1.206 1.00 1.00 H new ATOM 0 HE3 LYS A 63 4.950 14.891 -0.567 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 6.400 16.628 -1.370 1.00 1.68 H new ATOM 0 HZ2 LYS A 63 6.188 16.778 0.308 1.00 1.68 H new ATOM 0 HZ3 LYS A 63 7.635 16.140 -0.311 1.00 1.68 H new ATOM 1016 N LYS A 64 4.568 12.730 4.252 1.00 0.34 N ATOM 1017 CA LYS A 64 5.101 11.422 4.615 1.00 0.33 C ATOM 1018 C LYS A 64 4.029 10.533 5.249 1.00 0.27 C ATOM 1019 O LYS A 64 4.160 9.307 5.264 1.00 0.27 O ATOM 1020 CB LYS A 64 6.296 11.559 5.558 1.00 0.40 C ATOM 1021 CG LYS A 64 7.534 12.140 4.897 1.00 0.42 C ATOM 1022 CD LYS A 64 7.930 11.343 3.664 1.00 0.38 C ATOM 1023 CE LYS A 64 9.258 11.810 3.090 1.00 0.51 C ATOM 1024 NZ LYS A 64 10.396 11.518 4.001 1.00 1.07 N ATOM 0 H LYS A 64 4.973 13.509 4.772 1.00 0.34 H new ATOM 0 HA LYS A 64 5.436 10.945 3.694 1.00 0.33 H new ATOM 0 HB2 LYS A 64 6.013 12.192 6.399 1.00 0.40 H new ATOM 0 HB3 LYS A 64 6.540 10.578 5.966 1.00 0.40 H new ATOM 0 HG2 LYS A 64 7.346 13.177 4.617 1.00 0.42 H new ATOM 0 HG3 LYS A 64 8.359 12.146 5.609 1.00 0.42 H new ATOM 0 HD2 LYS A 64 7.997 10.286 3.921 1.00 0.38 H new ATOM 0 HD3 LYS A 64 7.153 11.438 2.905 1.00 0.38 H new ATOM 0 HE2 LYS A 64 9.429 11.323 2.130 1.00 0.51 H new ATOM 0 HE3 LYS A 64 9.213 12.882 2.900 1.00 0.51 H new ATOM 0 HZ1 LYS A 64 11.292 11.663 3.494 1.00 1.07 H new ATOM 0 HZ2 LYS A 64 10.356 12.155 4.822 1.00 1.07 H new ATOM 0 HZ3 LYS A 64 10.337 10.531 4.325 1.00 1.07 H new ATOM 1038 N LEU A 65 2.986 11.148 5.792 1.00 0.25 N ATOM 1039 CA LEU A 65 1.840 10.414 6.296 1.00 0.21 C ATOM 1040 C LEU A 65 1.195 9.573 5.197 1.00 0.17 C ATOM 1041 O LEU A 65 0.760 8.451 5.451 1.00 0.18 O ATOM 1042 CB LEU A 65 0.816 11.374 6.891 1.00 0.24 C ATOM 1043 CG LEU A 65 1.294 12.164 8.105 1.00 0.28 C ATOM 1044 CD1 LEU A 65 0.177 13.038 8.647 1.00 0.34 C ATOM 1045 CD2 LEU A 65 1.808 11.224 9.180 1.00 0.31 C ATOM 0 H LEU A 65 2.914 12.160 5.893 1.00 0.25 H new ATOM 0 HA LEU A 65 2.191 9.739 7.077 1.00 0.21 H new ATOM 0 HB2 LEU A 65 0.509 12.078 6.117 1.00 0.24 H new ATOM 0 HB3 LEU A 65 -0.070 10.805 7.174 1.00 0.24 H new ATOM 0 HG LEU A 65 2.114 12.812 7.794 1.00 0.28 H new ATOM 0 HD11 LEU A 65 0.537 13.594 9.513 1.00 0.34 H new ATOM 0 HD12 LEU A 65 -0.145 13.737 7.875 1.00 0.34 H new ATOM 0 HD13 LEU A 65 -0.664 12.411 8.943 1.00 0.34 H new ATOM 0 HD21 LEU A 65 2.145 11.804 10.039 1.00 0.31 H new ATOM 0 HD22 LEU A 65 1.008 10.551 9.488 1.00 0.31 H new ATOM 0 HD23 LEU A 65 2.641 10.641 8.786 1.00 0.31 H new ATOM 1057 N PHE A 66 1.145 10.105 3.972 1.00 0.15 N ATOM 1058 CA PHE A 66 0.607 9.351 2.846 1.00 0.13 C ATOM 1059 C PHE A 66 1.429 8.089 2.634 1.00 0.14 C ATOM 1060 O PHE A 66 0.887 7.030 2.331 1.00 0.15 O ATOM 1061 CB PHE A 66 0.594 10.203 1.566 1.00 0.14 C ATOM 1062 CG PHE A 66 0.217 9.435 0.321 1.00 0.14 C ATOM 1063 CD1 PHE A 66 -0.840 8.550 0.334 1.00 0.13 C ATOM 1064 CD2 PHE A 66 0.928 9.593 -0.855 1.00 0.20 C ATOM 1065 CE1 PHE A 66 -1.185 7.832 -0.796 1.00 0.15 C ATOM 1066 CE2 PHE A 66 0.589 8.884 -1.991 1.00 0.24 C ATOM 1067 CZ PHE A 66 -0.467 8.002 -1.961 1.00 0.21 C ATOM 0 H PHE A 66 1.468 11.045 3.740 1.00 0.15 H new ATOM 0 HA PHE A 66 -0.423 9.075 3.074 1.00 0.13 H new ATOM 0 HB2 PHE A 66 -0.106 11.028 1.698 1.00 0.14 H new ATOM 0 HB3 PHE A 66 1.581 10.643 1.424 1.00 0.14 H new ATOM 0 HD1 PHE A 66 -1.408 8.415 1.242 1.00 0.13 H new ATOM 0 HD2 PHE A 66 1.760 10.281 -0.885 1.00 0.20 H new ATOM 0 HE1 PHE A 66 -2.014 7.140 -0.766 1.00 0.15 H new ATOM 0 HE2 PHE A 66 1.152 9.022 -2.902 1.00 0.24 H new ATOM 0 HZ PHE A 66 -0.733 7.445 -2.847 1.00 0.21 H new ATOM 1077 N TYR A 67 2.731 8.205 2.847 1.00 0.16 N ATOM 1078 CA TYR A 67 3.644 7.097 2.620 1.00 0.18 C ATOM 1079 C TYR A 67 3.287 5.929 3.528 1.00 0.16 C ATOM 1080 O TYR A 67 3.068 4.811 3.072 1.00 0.18 O ATOM 1081 CB TYR A 67 5.098 7.507 2.879 1.00 0.22 C ATOM 1082 CG TYR A 67 5.646 8.549 1.931 1.00 0.26 C ATOM 1083 CD1 TYR A 67 4.896 9.654 1.578 1.00 0.25 C ATOM 1084 CD2 TYR A 67 6.929 8.437 1.414 1.00 0.33 C ATOM 1085 CE1 TYR A 67 5.396 10.621 0.738 1.00 0.29 C ATOM 1086 CE2 TYR A 67 7.439 9.398 0.566 1.00 0.37 C ATOM 1087 CZ TYR A 67 6.667 10.490 0.231 1.00 0.35 C ATOM 1088 OH TYR A 67 7.169 11.456 -0.610 1.00 0.40 O ATOM 0 H TYR A 67 3.180 9.059 3.178 1.00 0.16 H new ATOM 0 HA TYR A 67 3.547 6.800 1.576 1.00 0.18 H new ATOM 0 HB2 TYR A 67 5.177 7.887 3.898 1.00 0.22 H new ATOM 0 HB3 TYR A 67 5.726 6.618 2.821 1.00 0.22 H new ATOM 0 HD1 TYR A 67 3.895 9.761 1.970 1.00 0.25 H new ATOM 0 HD2 TYR A 67 7.537 7.585 1.680 1.00 0.33 H new ATOM 0 HE1 TYR A 67 4.793 11.479 0.478 1.00 0.29 H new ATOM 0 HE2 TYR A 67 8.437 9.296 0.167 1.00 0.37 H new ATOM 0 HH TYR A 67 8.055 11.734 -0.297 1.00 0.40 H new ATOM 1098 N SER A 68 3.239 6.194 4.825 1.00 0.15 N ATOM 1099 CA SER A 68 2.923 5.163 5.791 1.00 0.18 C ATOM 1100 C SER A 68 1.452 4.759 5.715 1.00 0.17 C ATOM 1101 O SER A 68 1.103 3.628 6.038 1.00 0.20 O ATOM 1102 CB SER A 68 3.291 5.615 7.200 1.00 0.26 C ATOM 1103 OG SER A 68 4.697 5.614 7.387 1.00 1.22 O ATOM 0 H SER A 68 3.415 7.114 5.228 1.00 0.15 H new ATOM 0 HA SER A 68 3.518 4.283 5.546 1.00 0.18 H new ATOM 0 HB2 SER A 68 2.898 6.616 7.378 1.00 0.26 H new ATOM 0 HB3 SER A 68 2.824 4.955 7.931 1.00 0.26 H new ATOM 0 HG SER A 68 5.103 6.300 6.817 1.00 1.22 H new ATOM 1109 N GLY A 69 0.588 5.668 5.281 1.00 0.16 N ATOM 1110 CA GLY A 69 -0.788 5.289 5.022 1.00 0.17 C ATOM 1111 C GLY A 69 -0.845 4.185 3.988 1.00 0.16 C ATOM 1112 O GLY A 69 -1.666 3.270 4.068 1.00 0.17 O ATOM 0 H GLY A 69 0.811 6.648 5.106 1.00 0.16 H new ATOM 0 HA2 GLY A 69 -1.260 4.955 5.946 1.00 0.17 H new ATOM 0 HA3 GLY A 69 -1.350 6.154 4.671 1.00 0.17 H new ATOM 1116 N ILE A 70 0.053 4.287 3.019 1.00 0.15 N ATOM 1117 CA ILE A 70 0.251 3.261 2.019 1.00 0.16 C ATOM 1118 C ILE A 70 0.654 1.928 2.647 1.00 0.16 C ATOM 1119 O ILE A 70 0.075 0.896 2.329 1.00 0.17 O ATOM 1120 CB ILE A 70 1.343 3.693 1.032 1.00 0.16 C ATOM 1121 CG1 ILE A 70 0.862 4.873 0.188 1.00 0.16 C ATOM 1122 CG2 ILE A 70 1.754 2.527 0.163 1.00 0.17 C ATOM 1123 CD1 ILE A 70 1.912 5.416 -0.756 1.00 0.18 C ATOM 0 H ILE A 70 0.668 5.093 2.908 1.00 0.15 H new ATOM 0 HA ILE A 70 -0.698 3.127 1.500 1.00 0.16 H new ATOM 0 HB ILE A 70 2.219 4.019 1.593 1.00 0.16 H new ATOM 0 HG12 ILE A 70 -0.008 4.563 -0.391 1.00 0.16 H new ATOM 0 HG13 ILE A 70 0.535 5.673 0.852 1.00 0.16 H new ATOM 0 HG21 ILE A 70 2.529 2.847 -0.533 1.00 0.17 H new ATOM 0 HG22 ILE A 70 2.139 1.723 0.791 1.00 0.17 H new ATOM 0 HG23 ILE A 70 0.890 2.168 -0.397 1.00 0.17 H new ATOM 0 HD11 ILE A 70 1.497 6.251 -1.321 1.00 0.18 H new ATOM 0 HD12 ILE A 70 2.774 5.758 -0.183 1.00 0.18 H new ATOM 0 HD13 ILE A 70 2.223 4.631 -1.445 1.00 0.18 H new ATOM 1135 N CYS A 71 1.649 1.950 3.535 1.00 0.17 N ATOM 1136 CA CYS A 71 2.152 0.713 4.134 1.00 0.18 C ATOM 1137 C CYS A 71 1.036 0.006 4.890 1.00 0.17 C ATOM 1138 O CYS A 71 0.948 -1.219 4.896 1.00 0.17 O ATOM 1139 CB CYS A 71 3.343 0.985 5.062 1.00 0.21 C ATOM 1140 SG CYS A 71 2.933 1.622 6.703 1.00 1.10 S ATOM 0 H CYS A 71 2.117 2.799 3.852 1.00 0.17 H new ATOM 0 HA CYS A 71 2.501 0.065 3.330 1.00 0.18 H new ATOM 0 HB2 CYS A 71 3.904 0.058 5.183 1.00 0.21 H new ATOM 0 HB3 CYS A 71 4.006 1.698 4.572 1.00 0.21 H new ATOM 0 HG CYS A 71 2.088 2.603 6.589 1.00 1.10 H new ATOM 1146 N GLN A 72 0.175 0.801 5.506 1.00 0.18 N ATOM 1147 CA GLN A 72 -1.007 0.281 6.184 1.00 0.19 C ATOM 1148 C GLN A 72 -1.929 -0.403 5.180 1.00 0.17 C ATOM 1149 O GLN A 72 -2.508 -1.449 5.460 1.00 0.20 O ATOM 1150 CB GLN A 72 -1.757 1.406 6.893 1.00 0.22 C ATOM 1151 CG GLN A 72 -0.899 2.205 7.862 1.00 0.28 C ATOM 1152 CD GLN A 72 -0.471 1.417 9.088 1.00 1.02 C ATOM 1153 OE1 GLN A 72 -0.305 0.198 9.043 1.00 1.82 O ATOM 1154 NE2 GLN A 72 -0.284 2.114 10.196 1.00 1.56 N ATOM 0 H GLN A 72 0.272 1.815 5.551 1.00 0.18 H new ATOM 0 HA GLN A 72 -0.685 -0.447 6.928 1.00 0.19 H new ATOM 0 HB2 GLN A 72 -2.168 2.083 6.144 1.00 0.22 H new ATOM 0 HB3 GLN A 72 -2.601 0.981 7.436 1.00 0.22 H new ATOM 0 HG2 GLN A 72 -0.010 2.559 7.340 1.00 0.28 H new ATOM 0 HG3 GLN A 72 -1.453 3.087 8.183 1.00 0.28 H new ATOM 0 HE21 GLN A 72 -0.431 3.123 10.195 1.00 1.56 H new ATOM 0 HE22 GLN A 72 0.008 1.642 11.052 1.00 1.56 H new ATOM 1163 N PHE A 73 -2.049 0.205 4.004 1.00 0.16 N ATOM 1164 CA PHE A 73 -2.846 -0.346 2.916 1.00 0.15 C ATOM 1165 C PHE A 73 -2.287 -1.694 2.461 1.00 0.15 C ATOM 1166 O PHE A 73 -3.034 -2.649 2.266 1.00 0.15 O ATOM 1167 CB PHE A 73 -2.879 0.638 1.742 1.00 0.14 C ATOM 1168 CG PHE A 73 -3.637 0.144 0.542 1.00 0.14 C ATOM 1169 CD1 PHE A 73 -2.968 -0.369 -0.552 1.00 0.19 C ATOM 1170 CD2 PHE A 73 -5.021 0.187 0.515 1.00 0.17 C ATOM 1171 CE1 PHE A 73 -3.661 -0.832 -1.652 1.00 0.20 C ATOM 1172 CE2 PHE A 73 -5.720 -0.275 -0.582 1.00 0.17 C ATOM 1173 CZ PHE A 73 -5.037 -0.750 -1.683 1.00 0.15 C ATOM 0 H PHE A 73 -1.597 1.092 3.780 1.00 0.16 H new ATOM 0 HA PHE A 73 -3.862 -0.504 3.278 1.00 0.15 H new ATOM 0 HB2 PHE A 73 -3.326 1.573 2.080 1.00 0.14 H new ATOM 0 HB3 PHE A 73 -1.855 0.863 1.443 1.00 0.14 H new ATOM 0 HD1 PHE A 73 -1.889 -0.408 -0.547 1.00 0.19 H new ATOM 0 HD2 PHE A 73 -5.559 0.586 1.362 1.00 0.17 H new ATOM 0 HE1 PHE A 73 -3.126 -1.258 -2.488 1.00 0.20 H new ATOM 0 HE2 PHE A 73 -6.800 -0.265 -0.579 1.00 0.17 H new ATOM 0 HZ PHE A 73 -5.578 -1.056 -2.566 1.00 0.15 H new ATOM 1183 N VAL A 74 -0.967 -1.776 2.296 1.00 0.17 N ATOM 1184 CA VAL A 74 -0.345 -3.024 1.855 1.00 0.19 C ATOM 1185 C VAL A 74 -0.446 -4.081 2.952 1.00 0.19 C ATOM 1186 O VAL A 74 -0.467 -5.282 2.679 1.00 0.21 O ATOM 1187 CB VAL A 74 1.137 -2.842 1.433 1.00 0.22 C ATOM 1188 CG1 VAL A 74 1.381 -1.433 0.916 1.00 0.28 C ATOM 1189 CG2 VAL A 74 2.113 -3.183 2.559 1.00 0.24 C ATOM 0 H VAL A 74 -0.317 -1.007 2.458 1.00 0.17 H new ATOM 0 HA VAL A 74 -0.893 -3.353 0.972 1.00 0.19 H new ATOM 0 HB VAL A 74 1.326 -3.550 0.626 1.00 0.22 H new ATOM 0 HG11 VAL A 74 2.426 -1.328 0.626 1.00 0.28 H new ATOM 0 HG12 VAL A 74 0.744 -1.247 0.051 1.00 0.28 H new ATOM 0 HG13 VAL A 74 1.148 -0.712 1.700 1.00 0.28 H new ATOM 0 HG21 VAL A 74 3.136 -3.039 2.210 1.00 0.24 H new ATOM 0 HG22 VAL A 74 1.925 -2.532 3.413 1.00 0.24 H new ATOM 0 HG23 VAL A 74 1.975 -4.222 2.858 1.00 0.24 H new ATOM 1199 N LYS A 75 -0.514 -3.621 4.195 1.00 0.20 N ATOM 1200 CA LYS A 75 -0.690 -4.504 5.336 1.00 0.23 C ATOM 1201 C LYS A 75 -2.035 -5.215 5.256 1.00 0.24 C ATOM 1202 O LYS A 75 -2.173 -6.360 5.691 1.00 0.31 O ATOM 1203 CB LYS A 75 -0.584 -3.711 6.637 1.00 0.25 C ATOM 1204 CG LYS A 75 -0.943 -4.515 7.871 1.00 0.38 C ATOM 1205 CD LYS A 75 -0.815 -3.685 9.136 1.00 0.58 C ATOM 1206 CE LYS A 75 -1.162 -4.502 10.368 1.00 1.08 C ATOM 1207 NZ LYS A 75 -1.038 -3.704 11.615 1.00 1.85 N ATOM 0 H LYS A 75 -0.449 -2.632 4.437 1.00 0.20 H new ATOM 0 HA LYS A 75 0.099 -5.256 5.320 1.00 0.23 H new ATOM 0 HB2 LYS A 75 0.434 -3.336 6.742 1.00 0.25 H new ATOM 0 HB3 LYS A 75 -1.239 -2.842 6.577 1.00 0.25 H new ATOM 0 HG2 LYS A 75 -1.964 -4.886 7.780 1.00 0.38 H new ATOM 0 HG3 LYS A 75 -0.292 -5.387 7.940 1.00 0.38 H new ATOM 0 HD2 LYS A 75 0.203 -3.306 9.223 1.00 0.58 H new ATOM 0 HD3 LYS A 75 -1.474 -2.819 9.074 1.00 0.58 H new ATOM 0 HE2 LYS A 75 -2.181 -4.879 10.278 1.00 1.08 H new ATOM 0 HE3 LYS A 75 -0.505 -5.370 10.425 1.00 1.08 H new ATOM 0 HZ1 LYS A 75 -1.283 -4.298 12.433 1.00 1.85 H new ATOM 0 HZ2 LYS A 75 -0.060 -3.365 11.714 1.00 1.85 H new ATOM 0 HZ3 LYS A 75 -1.684 -2.890 11.572 1.00 1.85 H new ATOM 1221 N GLU A 76 -3.018 -4.536 4.685 1.00 0.21 N ATOM 1222 CA GLU A 76 -4.330 -5.126 4.476 1.00 0.24 C ATOM 1223 C GLU A 76 -4.200 -6.305 3.520 1.00 0.24 C ATOM 1224 O GLU A 76 -4.845 -7.341 3.690 1.00 0.29 O ATOM 1225 CB GLU A 76 -5.296 -4.083 3.910 1.00 0.28 C ATOM 1226 CG GLU A 76 -5.313 -2.787 4.697 1.00 1.05 C ATOM 1227 CD GLU A 76 -5.819 -2.960 6.113 1.00 1.02 C ATOM 1228 OE1 GLU A 76 -7.026 -2.728 6.350 1.00 0.89 O ATOM 1229 OE2 GLU A 76 -5.021 -3.328 6.999 1.00 1.31 O ATOM 0 H GLU A 76 -2.931 -3.574 4.358 1.00 0.21 H new ATOM 0 HA GLU A 76 -4.728 -5.476 5.429 1.00 0.24 H new ATOM 0 HB2 GLU A 76 -5.022 -3.868 2.877 1.00 0.28 H new ATOM 0 HB3 GLU A 76 -6.302 -4.502 3.893 1.00 0.28 H new ATOM 0 HG2 GLU A 76 -4.305 -2.373 4.726 1.00 1.05 H new ATOM 0 HG3 GLU A 76 -5.941 -2.062 4.179 1.00 1.05 H new ATOM 1236 N ALA A 77 -3.330 -6.146 2.531 1.00 0.21 N ATOM 1237 CA ALA A 77 -3.055 -7.207 1.581 1.00 0.22 C ATOM 1238 C ALA A 77 -2.212 -8.310 2.211 1.00 0.22 C ATOM 1239 O ALA A 77 -2.343 -9.478 1.847 1.00 0.24 O ATOM 1240 CB ALA A 77 -2.371 -6.657 0.344 1.00 0.24 C ATOM 0 H ALA A 77 -2.803 -5.288 2.369 1.00 0.21 H new ATOM 0 HA ALA A 77 -4.010 -7.642 1.285 1.00 0.22 H new ATOM 0 HB1 ALA A 77 -2.174 -7.470 -0.355 1.00 0.24 H new ATOM 0 HB2 ALA A 77 -3.017 -5.919 -0.131 1.00 0.24 H new ATOM 0 HB3 ALA A 77 -1.430 -6.187 0.628 1.00 0.24 H new ATOM 1246 N LYS A 78 -1.347 -7.944 3.158 1.00 0.24 N ATOM 1247 CA LYS A 78 -0.562 -8.942 3.879 1.00 0.30 C ATOM 1248 C LYS A 78 -1.462 -9.772 4.789 1.00 0.31 C ATOM 1249 O LYS A 78 -1.095 -10.869 5.199 1.00 0.37 O ATOM 1250 CB LYS A 78 0.555 -8.331 4.747 1.00 0.42 C ATOM 1251 CG LYS A 78 1.665 -7.610 4.002 1.00 0.84 C ATOM 1252 CD LYS A 78 2.957 -7.551 4.817 1.00 0.72 C ATOM 1253 CE LYS A 78 3.374 -8.924 5.341 1.00 1.08 C ATOM 1254 NZ LYS A 78 3.422 -9.963 4.277 1.00 1.88 N ATOM 0 H LYS A 78 -1.175 -6.979 3.439 1.00 0.24 H new ATOM 0 HA LYS A 78 -0.097 -9.560 3.111 1.00 0.30 H new ATOM 0 HB2 LYS A 78 0.100 -7.630 5.447 1.00 0.42 H new ATOM 0 HB3 LYS A 78 1.002 -9.128 5.341 1.00 0.42 H new ATOM 0 HG2 LYS A 78 1.856 -8.117 3.056 1.00 0.84 H new ATOM 0 HG3 LYS A 78 1.342 -6.597 3.761 1.00 0.84 H new ATOM 0 HD2 LYS A 78 3.756 -7.142 4.198 1.00 0.72 H new ATOM 0 HD3 LYS A 78 2.824 -6.869 5.657 1.00 0.72 H new ATOM 0 HE2 LYS A 78 4.355 -8.845 5.809 1.00 1.08 H new ATOM 0 HE3 LYS A 78 2.675 -9.238 6.117 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 2.746 -10.721 4.501 1.00 1.88 H new ATOM 0 HZ2 LYS A 78 3.172 -9.535 3.363 1.00 1.88 H new ATOM 0 HZ3 LYS A 78 4.382 -10.360 4.223 1.00 1.88 H new ATOM 1268 N ASP A 79 -2.628 -9.235 5.123 1.00 0.31 N ATOM 1269 CA ASP A 79 -3.533 -9.903 6.048 1.00 0.36 C ATOM 1270 C ASP A 79 -4.349 -10.967 5.336 1.00 0.34 C ATOM 1271 O ASP A 79 -4.432 -12.111 5.787 1.00 0.38 O ATOM 1272 CB ASP A 79 -4.470 -8.894 6.705 1.00 0.41 C ATOM 1273 CG ASP A 79 -5.418 -9.549 7.691 1.00 1.12 C ATOM 1274 OD1 ASP A 79 -6.599 -9.756 7.342 1.00 1.77 O ATOM 1275 OD2 ASP A 79 -4.987 -9.858 8.823 1.00 1.60 O ATOM 0 H ASP A 79 -2.968 -8.341 4.768 1.00 0.31 H new ATOM 0 HA ASP A 79 -2.927 -10.382 6.817 1.00 0.36 H new ATOM 0 HB2 ASP A 79 -3.881 -8.135 7.220 1.00 0.41 H new ATOM 0 HB3 ASP A 79 -5.047 -8.382 5.935 1.00 0.41 H new ATOM 1280 N ILE A 80 -4.942 -10.588 4.213 1.00 0.30 N ATOM 1281 CA ILE A 80 -5.798 -11.507 3.468 1.00 0.32 C ATOM 1282 C ILE A 80 -4.946 -12.372 2.558 1.00 0.30 C ATOM 1283 O ILE A 80 -5.397 -13.381 2.015 1.00 0.33 O ATOM 1284 CB ILE A 80 -6.900 -10.771 2.659 1.00 0.32 C ATOM 1285 CG1 ILE A 80 -6.539 -10.582 1.176 1.00 0.29 C ATOM 1286 CG2 ILE A 80 -7.190 -9.425 3.302 1.00 0.33 C ATOM 1287 CD1 ILE A 80 -5.485 -9.536 0.902 1.00 0.22 C ATOM 0 H ILE A 80 -4.849 -9.660 3.799 1.00 0.30 H new ATOM 0 HA ILE A 80 -6.316 -12.138 4.190 1.00 0.32 H new ATOM 0 HB ILE A 80 -7.789 -11.401 2.683 1.00 0.32 H new ATOM 0 HG12 ILE A 80 -6.194 -11.536 0.778 1.00 0.29 H new ATOM 0 HG13 ILE A 80 -7.443 -10.316 0.629 1.00 0.29 H new ATOM 0 HG21 ILE A 80 -7.964 -8.909 2.733 1.00 0.33 H new ATOM 0 HG22 ILE A 80 -7.533 -9.577 4.326 1.00 0.33 H new ATOM 0 HG23 ILE A 80 -6.282 -8.822 3.309 1.00 0.33 H new ATOM 0 HD11 ILE A 80 -5.300 -9.478 -0.171 1.00 0.22 H new ATOM 0 HD12 ILE A 80 -5.831 -8.568 1.264 1.00 0.22 H new ATOM 0 HD13 ILE A 80 -4.562 -9.807 1.415 1.00 0.22 H new ATOM 1299 N LYS A 81 -3.699 -11.936 2.423 1.00 0.27 N ATOM 1300 CA LYS A 81 -2.656 -12.669 1.720 1.00 0.29 C ATOM 1301 C LYS A 81 -2.875 -12.660 0.214 1.00 0.29 C ATOM 1302 O LYS A 81 -2.909 -13.709 -0.420 1.00 0.39 O ATOM 1303 CB LYS A 81 -2.554 -14.114 2.228 1.00 0.36 C ATOM 1304 CG LYS A 81 -2.220 -14.233 3.705 1.00 0.39 C ATOM 1305 CD LYS A 81 -0.831 -13.704 4.014 1.00 0.40 C ATOM 1306 CE LYS A 81 -0.425 -14.019 5.446 1.00 0.53 C ATOM 1307 NZ LYS A 81 -0.269 -15.482 5.671 1.00 1.47 N ATOM 0 H LYS A 81 -3.380 -11.046 2.807 1.00 0.27 H new ATOM 0 HA LYS A 81 -1.716 -12.158 1.928 1.00 0.29 H new ATOM 0 HB2 LYS A 81 -3.500 -14.621 2.039 1.00 0.36 H new ATOM 0 HB3 LYS A 81 -1.791 -14.637 1.651 1.00 0.36 H new ATOM 0 HG2 LYS A 81 -2.957 -13.682 4.290 1.00 0.39 H new ATOM 0 HG3 LYS A 81 -2.287 -15.277 4.010 1.00 0.39 H new ATOM 0 HD2 LYS A 81 -0.110 -14.144 3.324 1.00 0.40 H new ATOM 0 HD3 LYS A 81 -0.807 -12.626 3.856 1.00 0.40 H new ATOM 0 HE2 LYS A 81 0.513 -13.514 5.676 1.00 0.53 H new ATOM 0 HE3 LYS A 81 -1.176 -13.625 6.131 1.00 0.53 H new ATOM 0 HZ1 LYS A 81 0.288 -15.643 6.534 1.00 1.47 H new ATOM 0 HZ2 LYS A 81 -1.207 -15.919 5.778 1.00 1.47 H new ATOM 0 HZ3 LYS A 81 0.221 -15.908 4.858 1.00 1.47 H new ATOM 1321 N GLY A 82 -3.012 -11.477 -0.358 1.00 0.23 N ATOM 1322 CA GLY A 82 -3.149 -11.376 -1.798 1.00 0.26 C ATOM 1323 C GLY A 82 -1.936 -10.770 -2.477 1.00 0.22 C ATOM 1324 O GLY A 82 -0.790 -11.117 -2.173 1.00 0.23 O ATOM 0 H GLY A 82 -3.031 -10.588 0.142 1.00 0.23 H new ATOM 0 HA2 GLY A 82 -3.328 -12.370 -2.209 1.00 0.26 H new ATOM 0 HA3 GLY A 82 -4.026 -10.772 -2.031 1.00 0.26 H new ATOM 1328 N LYS A 83 -2.206 -9.880 -3.421 1.00 0.18 N ATOM 1329 CA LYS A 83 -1.185 -9.197 -4.192 1.00 0.17 C ATOM 1330 C LYS A 83 -1.344 -7.692 -4.025 1.00 0.16 C ATOM 1331 O LYS A 83 -2.438 -7.217 -3.716 1.00 0.20 O ATOM 1332 CB LYS A 83 -1.279 -9.561 -5.669 1.00 0.19 C ATOM 1333 CG LYS A 83 -0.488 -10.804 -6.018 1.00 0.26 C ATOM 1334 CD LYS A 83 -1.158 -12.057 -5.501 1.00 0.30 C ATOM 1335 CE LYS A 83 -0.134 -13.073 -5.044 1.00 0.42 C ATOM 1336 NZ LYS A 83 0.730 -13.540 -6.161 1.00 1.06 N ATOM 0 H LYS A 83 -3.156 -9.610 -3.674 1.00 0.18 H new ATOM 0 HA LYS A 83 -0.208 -9.510 -3.824 1.00 0.17 H new ATOM 0 HB2 LYS A 83 -2.325 -9.715 -5.935 1.00 0.19 H new ATOM 0 HB3 LYS A 83 -0.917 -8.725 -6.268 1.00 0.19 H new ATOM 0 HG2 LYS A 83 -0.375 -10.872 -7.100 1.00 0.26 H new ATOM 0 HG3 LYS A 83 0.515 -10.727 -5.597 1.00 0.26 H new ATOM 0 HD2 LYS A 83 -1.819 -11.804 -4.672 1.00 0.30 H new ATOM 0 HD3 LYS A 83 -1.780 -12.490 -6.284 1.00 0.30 H new ATOM 0 HE2 LYS A 83 0.488 -12.634 -4.264 1.00 0.42 H new ATOM 0 HE3 LYS A 83 -0.645 -13.927 -4.600 1.00 0.42 H new ATOM 0 HZ1 LYS A 83 1.359 -14.295 -5.821 1.00 1.06 H new ATOM 0 HZ2 LYS A 83 0.134 -13.906 -6.931 1.00 1.06 H new ATOM 0 HZ3 LYS A 83 1.302 -12.746 -6.513 1.00 1.06 H new ATOM 1350 N LEU A 84 -0.275 -6.946 -4.240 1.00 0.16 N ATOM 1351 CA LEU A 84 -0.333 -5.495 -4.126 1.00 0.15 C ATOM 1352 C LEU A 84 -0.067 -4.841 -5.488 1.00 0.15 C ATOM 1353 O LEU A 84 0.749 -5.333 -6.265 1.00 0.17 O ATOM 1354 CB LEU A 84 0.677 -5.033 -3.071 1.00 0.16 C ATOM 1355 CG LEU A 84 0.457 -3.632 -2.486 1.00 0.16 C ATOM 1356 CD1 LEU A 84 1.055 -2.569 -3.389 1.00 0.17 C ATOM 1357 CD2 LEU A 84 -1.027 -3.359 -2.254 1.00 0.15 C ATOM 0 H LEU A 84 0.641 -7.316 -4.493 1.00 0.16 H new ATOM 0 HA LEU A 84 -1.330 -5.189 -3.809 1.00 0.15 H new ATOM 0 HB2 LEU A 84 0.668 -5.751 -2.251 1.00 0.16 H new ATOM 0 HB3 LEU A 84 1.673 -5.067 -3.513 1.00 0.16 H new ATOM 0 HG LEU A 84 0.965 -3.592 -1.522 1.00 0.16 H new ATOM 0 HD11 LEU A 84 0.886 -1.584 -2.953 1.00 0.17 H new ATOM 0 HD12 LEU A 84 2.126 -2.741 -3.493 1.00 0.17 H new ATOM 0 HD13 LEU A 84 0.583 -2.617 -4.370 1.00 0.17 H new ATOM 0 HD21 LEU A 84 -1.152 -2.359 -1.839 1.00 0.15 H new ATOM 0 HD22 LEU A 84 -1.562 -3.429 -3.201 1.00 0.15 H new ATOM 0 HD23 LEU A 84 -1.427 -4.094 -1.556 1.00 0.15 H new ATOM 1369 N THR A 85 -0.778 -3.750 -5.771 1.00 0.16 N ATOM 1370 CA THR A 85 -0.656 -3.037 -7.043 1.00 0.17 C ATOM 1371 C THR A 85 -0.580 -1.522 -6.822 1.00 0.17 C ATOM 1372 O THR A 85 -1.320 -0.972 -6.004 1.00 0.21 O ATOM 1373 CB THR A 85 -1.864 -3.351 -7.950 1.00 0.19 C ATOM 1374 OG1 THR A 85 -1.899 -4.748 -8.247 1.00 0.20 O ATOM 1375 CG2 THR A 85 -1.823 -2.552 -9.247 1.00 0.20 C ATOM 0 H THR A 85 -1.453 -3.336 -5.128 1.00 0.16 H new ATOM 0 HA THR A 85 0.264 -3.372 -7.522 1.00 0.17 H new ATOM 0 HB THR A 85 -2.766 -3.064 -7.409 1.00 0.19 H new ATOM 0 HG1 THR A 85 -2.669 -4.941 -8.822 1.00 0.20 H new ATOM 0 HG21 THR A 85 -2.691 -2.803 -9.856 1.00 0.20 H new ATOM 0 HG22 THR A 85 -1.836 -1.486 -9.018 1.00 0.20 H new ATOM 0 HG23 THR A 85 -0.913 -2.795 -9.795 1.00 0.20 H new ATOM 1383 N LEU A 86 0.321 -0.851 -7.543 1.00 0.16 N ATOM 1384 CA LEU A 86 0.422 0.605 -7.466 1.00 0.18 C ATOM 1385 C LEU A 86 -0.179 1.229 -8.702 1.00 0.19 C ATOM 1386 O LEU A 86 0.357 1.099 -9.794 1.00 0.21 O ATOM 1387 CB LEU A 86 1.874 1.089 -7.330 1.00 0.22 C ATOM 1388 CG LEU A 86 2.688 0.398 -6.266 1.00 0.53 C ATOM 1389 CD1 LEU A 86 1.839 0.226 -5.025 1.00 1.45 C ATOM 1390 CD2 LEU A 86 3.226 -0.917 -6.779 1.00 1.51 C ATOM 0 H LEU A 86 0.985 -1.289 -8.181 1.00 0.16 H new ATOM 0 HA LEU A 86 -0.123 0.911 -6.573 1.00 0.18 H new ATOM 0 HB2 LEU A 86 2.374 0.957 -8.289 1.00 0.22 H new ATOM 0 HB3 LEU A 86 1.865 2.158 -7.119 1.00 0.22 H new ATOM 0 HG LEU A 86 3.552 1.008 -6.004 1.00 0.53 H new ATOM 0 HD11 LEU A 86 2.422 -0.273 -4.251 1.00 1.45 H new ATOM 0 HD12 LEU A 86 1.520 1.204 -4.664 1.00 1.45 H new ATOM 0 HD13 LEU A 86 0.963 -0.376 -5.264 1.00 1.45 H new ATOM 0 HD21 LEU A 86 3.811 -1.401 -5.997 1.00 1.51 H new ATOM 0 HD22 LEU A 86 2.396 -1.563 -7.064 1.00 1.51 H new ATOM 0 HD23 LEU A 86 3.860 -0.737 -7.647 1.00 1.51 H new ATOM 1402 N LEU A 87 -1.289 1.888 -8.523 1.00 0.20 N ATOM 1403 CA LEU A 87 -1.931 2.606 -9.607 1.00 0.23 C ATOM 1404 C LEU A 87 -1.206 3.924 -9.833 1.00 0.26 C ATOM 1405 O LEU A 87 -0.623 4.484 -8.906 1.00 0.25 O ATOM 1406 CB LEU A 87 -3.399 2.858 -9.280 1.00 0.23 C ATOM 1407 CG LEU A 87 -4.210 1.605 -8.954 1.00 0.21 C ATOM 1408 CD1 LEU A 87 -5.550 1.992 -8.364 1.00 0.22 C ATOM 1409 CD2 LEU A 87 -4.401 0.751 -10.196 1.00 0.24 C ATOM 0 H LEU A 87 -1.778 1.948 -7.630 1.00 0.20 H new ATOM 0 HA LEU A 87 -1.883 2.006 -10.516 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -3.455 3.540 -8.432 1.00 0.23 H new ATOM 0 HB3 LEU A 87 -3.863 3.363 -10.127 1.00 0.23 H new ATOM 0 HG LEU A 87 -3.660 1.017 -8.219 1.00 0.21 H new ATOM 0 HD11 LEU A 87 -6.120 1.092 -8.135 1.00 0.22 H new ATOM 0 HD12 LEU A 87 -5.393 2.565 -7.450 1.00 0.22 H new ATOM 0 HD13 LEU A 87 -6.102 2.599 -9.082 1.00 0.22 H new ATOM 0 HD21 LEU A 87 -4.981 -0.136 -9.942 1.00 0.24 H new ATOM 0 HD22 LEU A 87 -4.931 1.326 -10.955 1.00 0.24 H new ATOM 0 HD23 LEU A 87 -3.428 0.450 -10.583 1.00 0.24 H new ATOM 1421 N GLN A 88 -1.223 4.419 -11.052 1.00 0.34 N ATOM 1422 CA GLN A 88 -0.561 5.675 -11.333 1.00 0.41 C ATOM 1423 C GLN A 88 -1.575 6.680 -11.846 1.00 0.47 C ATOM 1424 O GLN A 88 -2.372 6.373 -12.734 1.00 0.52 O ATOM 1425 CB GLN A 88 0.544 5.463 -12.375 1.00 0.50 C ATOM 1426 CG GLN A 88 1.410 6.690 -12.621 1.00 0.73 C ATOM 1427 CD GLN A 88 2.531 6.852 -11.607 1.00 1.23 C ATOM 1428 OE1 GLN A 88 2.339 6.337 -10.404 1.00 1.93 O flip ATOM 1429 NE2 GLN A 88 3.577 7.427 -11.916 1.00 1.78 N flip ATOM 0 H GLN A 88 -1.679 3.980 -11.852 1.00 0.34 H new ATOM 0 HA GLN A 88 -0.110 6.057 -10.417 1.00 0.41 H new ATOM 0 HB2 GLN A 88 1.182 4.641 -12.050 1.00 0.50 H new ATOM 0 HB3 GLN A 88 0.087 5.159 -13.317 1.00 0.50 H new ATOM 0 HG2 GLN A 88 1.841 6.627 -13.620 1.00 0.73 H new ATOM 0 HG3 GLN A 88 0.781 7.580 -12.601 1.00 0.73 H new ATOM 0 HE21 GLN A 88 3.689 7.812 -12.854 1.00 1.78 H new ATOM 0 HE22 GLN A 88 4.330 7.518 -11.234 1.00 1.78 H new ATOM 1438 N HIS A 89 -1.497 7.892 -11.302 1.00 0.50 N ATOM 1439 CA HIS A 89 -2.463 8.955 -11.574 1.00 0.58 C ATOM 1440 C HIS A 89 -2.288 10.060 -10.542 1.00 0.56 C ATOM 1441 O HIS A 89 -2.169 11.234 -10.882 1.00 0.58 O ATOM 1442 CB HIS A 89 -3.902 8.420 -11.505 1.00 0.66 C ATOM 1443 CG HIS A 89 -4.951 9.409 -11.914 1.00 0.84 C ATOM 1444 ND1 HIS A 89 -5.840 9.970 -11.024 1.00 1.57 N ATOM 1445 CD2 HIS A 89 -5.269 9.917 -13.130 1.00 1.46 C ATOM 1446 CE1 HIS A 89 -6.658 10.776 -11.673 1.00 1.79 C ATOM 1447 NE2 HIS A 89 -6.332 10.763 -12.948 1.00 1.67 N ATOM 0 H HIS A 89 -0.757 8.167 -10.656 1.00 0.50 H new ATOM 0 HA HIS A 89 -2.286 9.341 -12.578 1.00 0.58 H new ATOM 0 HB2 HIS A 89 -3.981 7.540 -12.144 1.00 0.66 H new ATOM 0 HB3 HIS A 89 -4.106 8.093 -10.486 1.00 0.66 H new ATOM 0 HD2 HIS A 89 -4.777 9.697 -14.066 1.00 1.46 H new ATOM 0 HE1 HIS A 89 -7.460 11.350 -11.232 1.00 1.79 H new ATOM 0 HE2 HIS A 89 -6.796 11.297 -13.683 1.00 1.67 H new ATOM 1456 N PHE A 90 -2.260 9.656 -9.277 1.00 0.58 N ATOM 1457 CA PHE A 90 -2.135 10.583 -8.162 1.00 0.61 C ATOM 1458 C PHE A 90 -0.790 11.304 -8.181 1.00 0.61 C ATOM 1459 O PHE A 90 -0.728 12.513 -7.966 1.00 0.60 O ATOM 1460 CB PHE A 90 -2.306 9.806 -6.864 1.00 0.74 C ATOM 1461 CG PHE A 90 -2.371 10.656 -5.628 1.00 1.67 C ATOM 1462 CD1 PHE A 90 -1.350 10.616 -4.694 1.00 1.56 C ATOM 1463 CD2 PHE A 90 -3.464 11.472 -5.390 1.00 2.87 C ATOM 1464 CE1 PHE A 90 -1.418 11.375 -3.543 1.00 2.57 C ATOM 1465 CE2 PHE A 90 -3.536 12.235 -4.244 1.00 3.95 C ATOM 1466 CZ PHE A 90 -2.514 12.184 -3.317 1.00 3.79 C ATOM 0 H PHE A 90 -2.323 8.677 -8.997 1.00 0.58 H new ATOM 0 HA PHE A 90 -2.908 11.347 -8.246 1.00 0.61 H new ATOM 0 HB2 PHE A 90 -3.218 9.213 -6.929 1.00 0.74 H new ATOM 0 HB3 PHE A 90 -1.477 9.106 -6.764 1.00 0.74 H new ATOM 0 HD1 PHE A 90 -0.491 9.984 -4.868 1.00 1.56 H new ATOM 0 HD2 PHE A 90 -4.268 11.511 -6.110 1.00 2.87 H new ATOM 0 HE1 PHE A 90 -0.616 11.336 -2.821 1.00 2.57 H new ATOM 0 HE2 PHE A 90 -4.391 12.872 -4.072 1.00 3.95 H new ATOM 0 HZ PHE A 90 -2.572 12.776 -2.416 1.00 3.79 H new ATOM 1510 N PHE A 94 -0.408 15.170 -7.375 1.00 0.65 N ATOM 1511 CA PHE A 94 0.049 15.463 -6.028 1.00 0.62 C ATOM 1512 C PHE A 94 1.574 15.479 -5.982 1.00 0.55 C ATOM 1513 O PHE A 94 2.226 14.741 -6.716 1.00 0.56 O ATOM 1514 CB PHE A 94 -0.510 14.415 -5.062 1.00 0.63 C ATOM 1515 CG PHE A 94 -0.752 14.932 -3.669 1.00 1.17 C ATOM 1516 CD1 PHE A 94 0.128 14.644 -2.640 1.00 2.12 C ATOM 1517 CD2 PHE A 94 -1.870 15.704 -3.392 1.00 1.16 C ATOM 1518 CE1 PHE A 94 -0.100 15.117 -1.362 1.00 2.85 C ATOM 1519 CE2 PHE A 94 -2.103 16.179 -2.116 1.00 1.80 C ATOM 1520 CZ PHE A 94 -1.217 15.885 -1.100 1.00 2.62 C ATOM 0 HA PHE A 94 -0.310 16.448 -5.729 1.00 0.62 H new ATOM 0 HB2 PHE A 94 -1.447 14.030 -5.463 1.00 0.63 H new ATOM 0 HB3 PHE A 94 0.184 13.576 -5.011 1.00 0.63 H new ATOM 0 HD1 PHE A 94 1.003 14.043 -2.838 1.00 2.12 H new ATOM 0 HD2 PHE A 94 -2.567 15.937 -4.183 1.00 1.16 H new ATOM 0 HE1 PHE A 94 0.595 14.886 -0.568 1.00 2.85 H new ATOM 0 HE2 PHE A 94 -2.977 16.780 -1.914 1.00 1.80 H new ATOM 0 HZ PHE A 94 -1.397 16.255 -0.101 1.00 2.62 H new ATOM 1530 N PRO A 95 2.166 16.331 -5.126 1.00 0.57 N ATOM 1531 CA PRO A 95 3.629 16.422 -4.962 1.00 0.56 C ATOM 1532 C PRO A 95 4.256 15.204 -4.268 1.00 0.50 C ATOM 1533 O PRO A 95 5.336 15.304 -3.680 1.00 0.68 O ATOM 1534 CB PRO A 95 3.801 17.667 -4.091 1.00 0.61 C ATOM 1535 CG PRO A 95 2.530 17.761 -3.328 1.00 0.62 C ATOM 1536 CD PRO A 95 1.463 17.312 -4.279 1.00 0.69 C ATOM 0 HA PRO A 95 4.130 16.465 -5.929 1.00 0.56 H new ATOM 0 HB2 PRO A 95 4.658 17.571 -3.425 1.00 0.61 H new ATOM 0 HB3 PRO A 95 3.967 18.557 -4.698 1.00 0.61 H new ATOM 0 HG2 PRO A 95 2.557 17.129 -2.440 1.00 0.62 H new ATOM 0 HG3 PRO A 95 2.350 18.781 -2.988 1.00 0.62 H new ATOM 0 HD2 PRO A 95 0.619 16.862 -3.756 1.00 0.69 H new ATOM 0 HD3 PRO A 95 1.069 18.142 -4.865 1.00 0.69 H new ATOM 1544 N ILE A 96 3.582 14.063 -4.325 1.00 0.36 N ATOM 1545 CA ILE A 96 4.142 12.824 -3.809 1.00 0.29 C ATOM 1546 C ILE A 96 4.303 11.805 -4.925 1.00 0.31 C ATOM 1547 O ILE A 96 3.323 11.320 -5.488 1.00 0.34 O ATOM 1548 CB ILE A 96 3.302 12.196 -2.682 1.00 0.23 C ATOM 1549 CG1 ILE A 96 3.184 13.156 -1.499 1.00 0.29 C ATOM 1550 CG2 ILE A 96 3.965 10.902 -2.238 1.00 0.26 C ATOM 1551 CD1 ILE A 96 2.297 12.649 -0.385 1.00 0.24 C ATOM 0 H ILE A 96 2.648 13.971 -4.723 1.00 0.36 H new ATOM 0 HA ILE A 96 5.112 13.090 -3.389 1.00 0.29 H new ATOM 0 HB ILE A 96 2.298 11.991 -3.053 1.00 0.23 H new ATOM 0 HG12 ILE A 96 4.180 13.348 -1.099 1.00 0.29 H new ATOM 0 HG13 ILE A 96 2.794 14.110 -1.855 1.00 0.29 H new ATOM 0 HG21 ILE A 96 3.378 10.448 -1.439 1.00 0.26 H new ATOM 0 HG22 ILE A 96 4.023 10.214 -3.082 1.00 0.26 H new ATOM 0 HG23 ILE A 96 4.970 11.114 -1.874 1.00 0.26 H new ATOM 0 HD11 ILE A 96 2.264 13.386 0.418 1.00 0.24 H new ATOM 0 HD12 ILE A 96 1.290 12.484 -0.768 1.00 0.24 H new ATOM 0 HD13 ILE A 96 2.697 11.711 -0.000 1.00 0.24 H new ATOM 1563 N LYS A 97 5.548 11.512 -5.253 1.00 0.35 N ATOM 1564 CA LYS A 97 5.871 10.498 -6.241 1.00 0.38 C ATOM 1565 C LYS A 97 6.802 9.475 -5.603 1.00 0.35 C ATOM 1566 O LYS A 97 7.849 9.842 -5.061 1.00 0.44 O ATOM 1567 CB LYS A 97 6.536 11.136 -7.462 1.00 0.50 C ATOM 1568 CG LYS A 97 5.728 12.261 -8.086 1.00 0.75 C ATOM 1569 CD LYS A 97 6.421 12.818 -9.315 1.00 0.78 C ATOM 1570 CE LYS A 97 5.652 13.982 -9.912 1.00 0.91 C ATOM 1571 NZ LYS A 97 6.342 14.544 -11.105 1.00 1.38 N ATOM 0 H LYS A 97 6.363 11.969 -4.843 1.00 0.35 H new ATOM 0 HA LYS A 97 4.958 10.006 -6.575 1.00 0.38 H new ATOM 0 HB2 LYS A 97 7.513 11.522 -7.171 1.00 0.50 H new ATOM 0 HB3 LYS A 97 6.708 10.366 -8.214 1.00 0.50 H new ATOM 0 HG2 LYS A 97 4.738 11.894 -8.358 1.00 0.75 H new ATOM 0 HG3 LYS A 97 5.583 13.057 -7.355 1.00 0.75 H new ATOM 0 HD2 LYS A 97 7.427 13.144 -9.050 1.00 0.78 H new ATOM 0 HD3 LYS A 97 6.527 12.031 -10.061 1.00 0.78 H new ATOM 0 HE2 LYS A 97 4.652 13.652 -10.192 1.00 0.91 H new ATOM 0 HE3 LYS A 97 5.531 14.762 -9.160 1.00 0.91 H new ATOM 0 HZ1 LYS A 97 5.787 15.337 -11.485 1.00 1.38 H new ATOM 0 HZ2 LYS A 97 7.287 14.882 -10.832 1.00 1.38 H new ATOM 0 HZ3 LYS A 97 6.435 13.806 -11.832 1.00 1.38 H new ATOM 1585 N VAL A 98 6.437 8.200 -5.656 1.00 0.30 N ATOM 1586 CA VAL A 98 7.146 7.182 -4.885 1.00 0.26 C ATOM 1587 C VAL A 98 7.213 5.836 -5.605 1.00 0.28 C ATOM 1588 O VAL A 98 6.479 5.589 -6.562 1.00 0.33 O ATOM 1589 CB VAL A 98 6.467 6.965 -3.514 1.00 0.21 C ATOM 1590 CG1 VAL A 98 6.538 8.228 -2.669 1.00 0.25 C ATOM 1591 CG2 VAL A 98 5.019 6.524 -3.695 1.00 0.21 C ATOM 0 H VAL A 98 5.663 7.847 -6.218 1.00 0.30 H new ATOM 0 HA VAL A 98 8.162 7.556 -4.756 1.00 0.26 H new ATOM 0 HB VAL A 98 7.005 6.174 -2.991 1.00 0.21 H new ATOM 0 HG11 VAL A 98 6.054 8.051 -1.709 1.00 0.25 H new ATOM 0 HG12 VAL A 98 7.581 8.498 -2.505 1.00 0.25 H new ATOM 0 HG13 VAL A 98 6.030 9.041 -3.187 1.00 0.25 H new ATOM 0 HG21 VAL A 98 4.559 6.377 -2.718 1.00 0.21 H new ATOM 0 HG22 VAL A 98 4.471 7.291 -4.242 1.00 0.21 H new ATOM 0 HG23 VAL A 98 4.991 5.589 -4.254 1.00 0.21 H new ATOM 1601 N ASP A 99 8.113 4.978 -5.127 1.00 0.28 N ATOM 1602 CA ASP A 99 8.197 3.592 -5.575 1.00 0.32 C ATOM 1603 C ASP A 99 8.106 2.680 -4.357 1.00 0.23 C ATOM 1604 O ASP A 99 8.666 2.985 -3.303 1.00 0.27 O ATOM 1605 CB ASP A 99 9.511 3.295 -6.309 1.00 0.51 C ATOM 1606 CG ASP A 99 9.748 4.157 -7.534 1.00 0.63 C ATOM 1607 OD1 ASP A 99 9.239 3.813 -8.622 1.00 1.11 O ATOM 1608 OD2 ASP A 99 10.487 5.160 -7.424 1.00 0.98 O ATOM 0 H ASP A 99 8.804 5.226 -4.418 1.00 0.28 H new ATOM 0 HA ASP A 99 7.377 3.417 -6.271 1.00 0.32 H new ATOM 0 HB2 ASP A 99 10.341 3.433 -5.616 1.00 0.51 H new ATOM 0 HB3 ASP A 99 9.517 2.247 -6.609 1.00 0.51 H new ATOM 1613 N LEU A 100 7.400 1.573 -4.493 1.00 0.19 N ATOM 1614 CA LEU A 100 7.190 0.666 -3.383 1.00 0.13 C ATOM 1615 C LEU A 100 8.037 -0.600 -3.535 1.00 0.13 C ATOM 1616 O LEU A 100 8.136 -1.160 -4.626 1.00 0.16 O ATOM 1617 CB LEU A 100 5.700 0.335 -3.293 1.00 0.18 C ATOM 1618 CG LEU A 100 4.810 1.521 -2.881 1.00 0.25 C ATOM 1619 CD1 LEU A 100 4.507 2.452 -4.055 1.00 0.26 C ATOM 1620 CD2 LEU A 100 3.518 1.036 -2.243 1.00 0.35 C ATOM 0 H LEU A 100 6.961 1.280 -5.366 1.00 0.19 H new ATOM 0 HA LEU A 100 7.507 1.145 -2.457 1.00 0.13 H new ATOM 0 HB2 LEU A 100 5.364 -0.037 -4.261 1.00 0.18 H new ATOM 0 HB3 LEU A 100 5.562 -0.474 -2.575 1.00 0.18 H new ATOM 0 HG LEU A 100 5.372 2.096 -2.144 1.00 0.25 H new ATOM 0 HD11 LEU A 100 3.876 3.273 -3.715 1.00 0.26 H new ATOM 0 HD12 LEU A 100 5.440 2.852 -4.453 1.00 0.26 H new ATOM 0 HD13 LEU A 100 3.989 1.896 -4.836 1.00 0.26 H new ATOM 0 HD21 LEU A 100 2.907 1.894 -1.961 1.00 0.35 H new ATOM 0 HD22 LEU A 100 2.970 0.419 -2.955 1.00 0.35 H new ATOM 0 HD23 LEU A 100 3.749 0.448 -1.355 1.00 0.35 H new ATOM 1632 N TYR A 101 8.666 -1.038 -2.441 1.00 0.13 N ATOM 1633 CA TYR A 101 9.585 -2.184 -2.486 1.00 0.16 C ATOM 1634 C TYR A 101 9.196 -3.273 -1.486 1.00 0.16 C ATOM 1635 O TYR A 101 8.556 -2.997 -0.470 1.00 0.19 O ATOM 1636 CB TYR A 101 11.041 -1.742 -2.230 1.00 0.19 C ATOM 1637 CG TYR A 101 11.719 -1.125 -3.437 1.00 0.21 C ATOM 1638 CD1 TYR A 101 11.103 -0.128 -4.182 1.00 0.20 C ATOM 1639 CD2 TYR A 101 12.977 -1.551 -3.838 1.00 0.26 C ATOM 1640 CE1 TYR A 101 11.718 0.422 -5.288 1.00 0.24 C ATOM 1641 CE2 TYR A 101 13.600 -1.001 -4.941 1.00 0.30 C ATOM 1642 CZ TYR A 101 12.964 -0.016 -5.663 1.00 0.28 C ATOM 1643 OH TYR A 101 13.576 0.530 -6.769 1.00 0.33 O ATOM 0 H TYR A 101 8.558 -0.620 -1.517 1.00 0.13 H new ATOM 0 HA TYR A 101 9.510 -2.602 -3.490 1.00 0.16 H new ATOM 0 HB2 TYR A 101 11.053 -1.022 -1.412 1.00 0.19 H new ATOM 0 HB3 TYR A 101 11.620 -2.606 -1.903 1.00 0.19 H new ATOM 0 HD1 TYR A 101 10.124 0.223 -3.890 1.00 0.20 H new ATOM 0 HD2 TYR A 101 13.478 -2.327 -3.278 1.00 0.26 H new ATOM 0 HE1 TYR A 101 11.221 1.194 -5.857 1.00 0.24 H new ATOM 0 HE2 TYR A 101 14.581 -1.342 -5.236 1.00 0.30 H new ATOM 0 HH TYR A 101 13.282 1.458 -6.881 1.00 0.33 H new ATOM 1653 N PHE A 102 9.594 -4.511 -1.790 1.00 0.16 N ATOM 1654 CA PHE A 102 9.322 -5.658 -0.924 1.00 0.16 C ATOM 1655 C PHE A 102 10.604 -6.338 -0.467 1.00 0.15 C ATOM 1656 O PHE A 102 11.606 -6.357 -1.178 1.00 0.19 O ATOM 1657 CB PHE A 102 8.475 -6.716 -1.639 1.00 0.20 C ATOM 1658 CG PHE A 102 6.993 -6.512 -1.575 1.00 0.16 C ATOM 1659 CD1 PHE A 102 6.437 -5.608 -0.698 1.00 0.24 C ATOM 1660 CD2 PHE A 102 6.152 -7.269 -2.373 1.00 0.25 C ATOM 1661 CE1 PHE A 102 5.076 -5.455 -0.614 1.00 0.27 C ATOM 1662 CE2 PHE A 102 4.783 -7.115 -2.298 1.00 0.34 C ATOM 1663 CZ PHE A 102 4.244 -6.205 -1.414 1.00 0.31 C ATOM 0 H PHE A 102 10.110 -4.744 -2.638 1.00 0.16 H new ATOM 0 HA PHE A 102 8.783 -5.258 -0.065 1.00 0.16 H new ATOM 0 HB2 PHE A 102 8.774 -6.747 -2.687 1.00 0.20 H new ATOM 0 HB3 PHE A 102 8.708 -7.691 -1.212 1.00 0.20 H new ATOM 0 HD1 PHE A 102 7.080 -5.012 -0.068 1.00 0.24 H new ATOM 0 HD2 PHE A 102 6.572 -7.987 -3.061 1.00 0.25 H new ATOM 0 HE1 PHE A 102 4.656 -4.744 0.082 1.00 0.27 H new ATOM 0 HE2 PHE A 102 4.136 -7.705 -2.930 1.00 0.34 H new ATOM 0 HZ PHE A 102 3.173 -6.081 -1.349 1.00 0.31 H new ATOM 1673 N LEU A 103 10.540 -6.918 0.717 1.00 0.16 N ATOM 1674 CA LEU A 103 11.621 -7.727 1.262 1.00 0.17 C ATOM 1675 C LEU A 103 11.178 -9.191 1.288 1.00 0.18 C ATOM 1676 O LEU A 103 10.136 -9.509 1.855 1.00 0.19 O ATOM 1677 CB LEU A 103 11.938 -7.243 2.689 1.00 0.18 C ATOM 1678 CG LEU A 103 13.308 -7.625 3.290 1.00 0.22 C ATOM 1679 CD1 LEU A 103 13.529 -9.126 3.314 1.00 0.22 C ATOM 1680 CD2 LEU A 103 14.450 -6.936 2.544 1.00 0.25 C ATOM 0 H LEU A 103 9.732 -6.842 1.334 1.00 0.16 H new ATOM 0 HA LEU A 103 12.515 -7.633 0.646 1.00 0.17 H new ATOM 0 HB2 LEU A 103 11.859 -6.156 2.699 1.00 0.18 H new ATOM 0 HB3 LEU A 103 11.163 -7.626 3.353 1.00 0.18 H new ATOM 0 HG LEU A 103 13.301 -7.276 4.323 1.00 0.22 H new ATOM 0 HD11 LEU A 103 14.506 -9.343 3.745 1.00 0.22 H new ATOM 0 HD12 LEU A 103 12.753 -9.598 3.917 1.00 0.22 H new ATOM 0 HD13 LEU A 103 13.487 -9.516 2.297 1.00 0.22 H new ATOM 0 HD21 LEU A 103 15.402 -7.224 2.990 1.00 0.25 H new ATOM 0 HD22 LEU A 103 14.434 -7.237 1.496 1.00 0.25 H new ATOM 0 HD23 LEU A 103 14.330 -5.855 2.613 1.00 0.25 H new ATOM 1692 N LYS A 104 11.949 -10.069 0.660 1.00 0.23 N ATOM 1693 CA LYS A 104 11.695 -11.504 0.724 1.00 0.29 C ATOM 1694 C LYS A 104 12.904 -12.231 1.290 1.00 0.33 C ATOM 1695 O LYS A 104 13.916 -12.385 0.602 1.00 0.39 O ATOM 1696 CB LYS A 104 11.368 -12.079 -0.649 1.00 0.42 C ATOM 1697 CG LYS A 104 9.997 -11.699 -1.161 1.00 0.60 C ATOM 1698 CD LYS A 104 10.039 -10.416 -1.966 1.00 0.64 C ATOM 1699 CE LYS A 104 8.683 -10.105 -2.574 1.00 0.66 C ATOM 1700 NZ LYS A 104 8.085 -11.298 -3.232 1.00 1.22 N ATOM 0 H LYS A 104 12.760 -9.812 0.097 1.00 0.23 H new ATOM 0 HA LYS A 104 10.834 -11.650 1.377 1.00 0.29 H new ATOM 0 HB2 LYS A 104 12.119 -11.739 -1.363 1.00 0.42 H new ATOM 0 HB3 LYS A 104 11.440 -13.166 -0.604 1.00 0.42 H new ATOM 0 HG2 LYS A 104 9.603 -12.505 -1.780 1.00 0.60 H new ATOM 0 HG3 LYS A 104 9.314 -11.580 -0.320 1.00 0.60 H new ATOM 0 HD2 LYS A 104 10.351 -9.591 -1.325 1.00 0.64 H new ATOM 0 HD3 LYS A 104 10.784 -10.504 -2.757 1.00 0.64 H new ATOM 0 HE2 LYS A 104 8.010 -9.744 -1.796 1.00 0.66 H new ATOM 0 HE3 LYS A 104 8.787 -9.302 -3.303 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 7.552 -11.000 -4.073 1.00 1.22 H new ATOM 0 HZ2 LYS A 104 8.841 -11.953 -3.516 1.00 1.22 H new ATOM 0 HZ3 LYS A 104 7.444 -11.776 -2.567 1.00 1.22 H new ATOM 1714 N GLY A 105 12.808 -12.671 2.537 1.00 0.34 N ATOM 1715 CA GLY A 105 13.926 -13.342 3.168 1.00 0.42 C ATOM 1716 C GLY A 105 15.090 -12.400 3.377 1.00 0.40 C ATOM 1717 O GLY A 105 15.114 -11.636 4.342 1.00 0.40 O ATOM 0 H GLY A 105 11.978 -12.575 3.122 1.00 0.34 H new ATOM 0 HA2 GLY A 105 13.611 -13.752 4.128 1.00 0.42 H new ATOM 0 HA3 GLY A 105 14.243 -14.183 2.551 1.00 0.42 H new ATOM 1721 N SER A 106 16.055 -12.451 2.476 1.00 0.40 N ATOM 1722 CA SER A 106 17.169 -11.524 2.500 1.00 0.41 C ATOM 1723 C SER A 106 17.304 -10.806 1.164 1.00 0.37 C ATOM 1724 O SER A 106 18.252 -10.058 0.943 1.00 0.41 O ATOM 1725 CB SER A 106 18.462 -12.260 2.828 1.00 0.52 C ATOM 1726 OG SER A 106 18.408 -12.839 4.123 1.00 1.31 O ATOM 0 H SER A 106 16.088 -13.129 1.715 1.00 0.40 H new ATOM 0 HA SER A 106 16.976 -10.781 3.274 1.00 0.41 H new ATOM 0 HB2 SER A 106 18.639 -13.038 2.086 1.00 0.52 H new ATOM 0 HB3 SER A 106 19.302 -11.568 2.771 1.00 0.52 H new ATOM 0 HG SER A 106 19.249 -13.307 4.308 1.00 1.31 H new ATOM 1732 N LYS A 107 16.358 -11.036 0.270 1.00 0.36 N ATOM 1733 CA LYS A 107 16.387 -10.400 -1.032 1.00 0.37 C ATOM 1734 C LYS A 107 15.301 -9.344 -1.129 1.00 0.32 C ATOM 1735 O LYS A 107 14.168 -9.562 -0.709 1.00 0.39 O ATOM 1736 CB LYS A 107 16.201 -11.425 -2.148 1.00 0.47 C ATOM 1737 CG LYS A 107 16.411 -10.838 -3.532 1.00 0.65 C ATOM 1738 CD LYS A 107 15.920 -11.752 -4.645 1.00 0.95 C ATOM 1739 CE LYS A 107 16.699 -13.060 -4.728 1.00 1.57 C ATOM 1740 NZ LYS A 107 16.249 -14.061 -3.723 1.00 2.27 N ATOM 0 H LYS A 107 15.563 -11.657 0.423 1.00 0.36 H new ATOM 0 HA LYS A 107 17.363 -9.928 -1.150 1.00 0.37 H new ATOM 0 HB2 LYS A 107 16.900 -12.248 -1.998 1.00 0.47 H new ATOM 0 HB3 LYS A 107 15.197 -11.844 -2.085 1.00 0.47 H new ATOM 0 HG2 LYS A 107 15.891 -9.882 -3.598 1.00 0.65 H new ATOM 0 HG3 LYS A 107 17.472 -10.635 -3.677 1.00 0.65 H new ATOM 0 HD2 LYS A 107 14.864 -11.973 -4.487 1.00 0.95 H new ATOM 0 HD3 LYS A 107 15.997 -11.229 -5.598 1.00 0.95 H new ATOM 0 HE2 LYS A 107 16.590 -13.480 -5.728 1.00 1.57 H new ATOM 0 HE3 LYS A 107 17.760 -12.856 -4.582 1.00 1.57 H new ATOM 0 HZ1 LYS A 107 16.987 -14.184 -3.001 1.00 2.27 H new ATOM 0 HZ2 LYS A 107 15.374 -13.729 -3.270 1.00 2.27 H new ATOM 0 HZ3 LYS A 107 16.071 -14.971 -4.195 1.00 2.27 H new ATOM 1754 N VAL A 108 15.650 -8.204 -1.685 1.00 0.24 N ATOM 1755 CA VAL A 108 14.699 -7.128 -1.861 1.00 0.22 C ATOM 1756 C VAL A 108 14.266 -7.032 -3.322 1.00 0.23 C ATOM 1757 O VAL A 108 15.092 -7.071 -4.238 1.00 0.30 O ATOM 1758 CB VAL A 108 15.273 -5.779 -1.373 1.00 0.26 C ATOM 1759 CG1 VAL A 108 16.640 -5.513 -1.972 1.00 0.74 C ATOM 1760 CG2 VAL A 108 14.314 -4.647 -1.688 1.00 0.79 C ATOM 0 H VAL A 108 16.590 -7.998 -2.024 1.00 0.24 H new ATOM 0 HA VAL A 108 13.824 -7.354 -1.251 1.00 0.22 H new ATOM 0 HB VAL A 108 15.393 -5.836 -0.291 1.00 0.26 H new ATOM 0 HG11 VAL A 108 17.016 -4.557 -1.609 1.00 0.74 H new ATOM 0 HG12 VAL A 108 17.326 -6.308 -1.679 1.00 0.74 H new ATOM 0 HG13 VAL A 108 16.562 -5.483 -3.059 1.00 0.74 H new ATOM 0 HG21 VAL A 108 14.735 -3.705 -1.337 1.00 0.79 H new ATOM 0 HG22 VAL A 108 14.155 -4.594 -2.765 1.00 0.79 H new ATOM 0 HG23 VAL A 108 13.362 -4.827 -1.189 1.00 0.79 H new ATOM 1770 N MET A 109 12.964 -6.933 -3.526 1.00 0.22 N ATOM 1771 CA MET A 109 12.386 -6.861 -4.857 1.00 0.27 C ATOM 1772 C MET A 109 11.356 -5.744 -4.916 1.00 0.24 C ATOM 1773 O MET A 109 10.413 -5.724 -4.127 1.00 0.25 O ATOM 1774 CB MET A 109 11.725 -8.191 -5.226 1.00 0.36 C ATOM 1775 CG MET A 109 12.711 -9.319 -5.490 1.00 0.44 C ATOM 1776 SD MET A 109 13.793 -8.990 -6.898 1.00 1.47 S ATOM 1777 CE MET A 109 12.599 -8.901 -8.232 1.00 1.85 C ATOM 0 H MET A 109 12.277 -6.900 -2.773 1.00 0.22 H new ATOM 0 HA MET A 109 13.184 -6.655 -5.570 1.00 0.27 H new ATOM 0 HB2 MET A 109 11.056 -8.489 -4.419 1.00 0.36 H new ATOM 0 HB3 MET A 109 11.109 -8.045 -6.113 1.00 0.36 H new ATOM 0 HG2 MET A 109 13.320 -9.479 -4.600 1.00 0.44 H new ATOM 0 HG3 MET A 109 12.160 -10.242 -5.669 1.00 0.44 H new ATOM 0 HE1 MET A 109 13.105 -9.059 -9.184 1.00 1.85 H new ATOM 0 HE2 MET A 109 11.840 -9.671 -8.093 1.00 1.85 H new ATOM 0 HE3 MET A 109 12.125 -7.919 -8.231 1.00 1.85 H new ATOM 1787 N PRO A 110 11.530 -4.790 -5.836 1.00 0.24 N ATOM 1788 CA PRO A 110 10.604 -3.670 -5.991 1.00 0.23 C ATOM 1789 C PRO A 110 9.258 -4.096 -6.569 1.00 0.21 C ATOM 1790 O PRO A 110 9.165 -5.071 -7.317 1.00 0.20 O ATOM 1791 CB PRO A 110 11.329 -2.742 -6.958 1.00 0.27 C ATOM 1792 CG PRO A 110 12.222 -3.634 -7.738 1.00 0.29 C ATOM 1793 CD PRO A 110 12.645 -4.721 -6.795 1.00 0.28 C ATOM 0 HA PRO A 110 10.364 -3.209 -5.033 1.00 0.23 H new ATOM 0 HB2 PRO A 110 10.626 -2.219 -7.607 1.00 0.27 H new ATOM 0 HB3 PRO A 110 11.898 -1.980 -6.425 1.00 0.27 H new ATOM 0 HG2 PRO A 110 11.703 -4.047 -8.602 1.00 0.29 H new ATOM 0 HG3 PRO A 110 13.086 -3.088 -8.117 1.00 0.29 H new ATOM 0 HD2 PRO A 110 12.789 -5.669 -7.313 1.00 0.28 H new ATOM 0 HD3 PRO A 110 13.586 -4.481 -6.301 1.00 0.28 H new ATOM 1801 N LEU A 111 8.222 -3.347 -6.227 1.00 0.23 N ATOM 1802 CA LEU A 111 6.883 -3.600 -6.731 1.00 0.22 C ATOM 1803 C LEU A 111 6.746 -2.942 -8.100 1.00 0.22 C ATOM 1804 O LEU A 111 7.234 -1.832 -8.306 1.00 0.26 O ATOM 1805 CB LEU A 111 5.855 -2.998 -5.769 1.00 0.27 C ATOM 1806 CG LEU A 111 4.523 -3.743 -5.611 1.00 0.27 C ATOM 1807 CD1 LEU A 111 4.026 -4.339 -6.920 1.00 0.24 C ATOM 1808 CD2 LEU A 111 4.643 -4.804 -4.546 1.00 0.31 C ATOM 0 H LEU A 111 8.286 -2.549 -5.594 1.00 0.23 H new ATOM 0 HA LEU A 111 6.711 -4.673 -6.814 1.00 0.22 H new ATOM 0 HB2 LEU A 111 6.318 -2.921 -4.785 1.00 0.27 H new ATOM 0 HB3 LEU A 111 5.637 -1.982 -6.100 1.00 0.27 H new ATOM 0 HG LEU A 111 3.777 -3.011 -5.302 1.00 0.27 H new ATOM 0 HD11 LEU A 111 3.081 -4.854 -6.749 1.00 0.24 H new ATOM 0 HD12 LEU A 111 3.879 -3.543 -7.650 1.00 0.24 H new ATOM 0 HD13 LEU A 111 4.762 -5.048 -7.300 1.00 0.24 H new ATOM 0 HD21 LEU A 111 3.691 -5.326 -4.443 1.00 0.31 H new ATOM 0 HD22 LEU A 111 5.419 -5.516 -4.828 1.00 0.31 H new ATOM 0 HD23 LEU A 111 4.906 -4.338 -3.596 1.00 0.31 H new ATOM 1820 N ASN A 112 6.092 -3.618 -9.029 1.00 0.22 N ATOM 1821 CA ASN A 112 5.901 -3.073 -10.362 1.00 0.25 C ATOM 1822 C ASN A 112 4.599 -2.286 -10.417 1.00 0.23 C ATOM 1823 O ASN A 112 3.551 -2.765 -9.973 1.00 0.22 O ATOM 1824 CB ASN A 112 5.891 -4.193 -11.406 1.00 0.29 C ATOM 1825 CG ASN A 112 5.739 -3.665 -12.821 1.00 1.06 C ATOM 1826 OD1 ASN A 112 6.180 -2.559 -13.137 1.00 1.85 O ATOM 1827 ND2 ASN A 112 5.121 -4.452 -13.685 1.00 1.69 N ATOM 0 H ASN A 112 5.685 -4.542 -8.886 1.00 0.22 H new ATOM 0 HA ASN A 112 6.731 -2.403 -10.589 1.00 0.25 H new ATOM 0 HB2 ASN A 112 6.817 -4.763 -11.332 1.00 0.29 H new ATOM 0 HB3 ASN A 112 5.074 -4.881 -11.188 1.00 0.29 H new ATOM 0 HD21 ASN A 112 4.996 -4.150 -14.651 1.00 1.69 H new ATOM 0 HD22 ASN A 112 4.769 -5.361 -13.386 1.00 1.69 H new ATOM 1834 N THR A 113 4.677 -1.074 -10.945 1.00 0.29 N ATOM 1835 CA THR A 113 3.528 -0.189 -11.014 1.00 0.31 C ATOM 1836 C THR A 113 2.400 -0.806 -11.840 1.00 0.28 C ATOM 1837 O THR A 113 2.581 -1.147 -13.009 1.00 0.32 O ATOM 1838 CB THR A 113 3.918 1.173 -11.614 1.00 0.41 C ATOM 1839 OG1 THR A 113 5.004 1.741 -10.867 1.00 0.47 O ATOM 1840 CG2 THR A 113 2.732 2.119 -11.588 1.00 0.45 C ATOM 0 H THR A 113 5.533 -0.680 -11.335 1.00 0.29 H new ATOM 0 HA THR A 113 3.174 -0.041 -9.994 1.00 0.31 H new ATOM 0 HB THR A 113 4.228 1.024 -12.648 1.00 0.41 H new ATOM 0 HG1 THR A 113 5.250 2.607 -11.254 1.00 0.47 H new ATOM 0 HG21 THR A 113 3.023 3.079 -12.016 1.00 0.45 H new ATOM 0 HG22 THR A 113 1.915 1.694 -12.171 1.00 0.45 H new ATOM 0 HG23 THR A 113 2.405 2.265 -10.558 1.00 0.45 H new ATOM 1848 N GLY A 114 1.243 -0.951 -11.209 1.00 0.26 N ATOM 1849 CA GLY A 114 0.074 -1.480 -11.877 1.00 0.27 C ATOM 1850 C GLY A 114 0.138 -2.980 -12.089 1.00 0.28 C ATOM 1851 O GLY A 114 -0.561 -3.524 -12.946 1.00 0.38 O ATOM 0 H GLY A 114 1.094 -0.707 -10.230 1.00 0.26 H new ATOM 0 HA2 GLY A 114 -0.812 -1.240 -11.290 1.00 0.27 H new ATOM 0 HA3 GLY A 114 -0.040 -0.987 -12.843 1.00 0.27 H new ATOM 1855 N GLU A 115 0.977 -3.652 -11.315 1.00 0.26 N ATOM 1856 CA GLU A 115 1.089 -5.098 -11.398 1.00 0.27 C ATOM 1857 C GLU A 115 0.823 -5.721 -10.038 1.00 0.24 C ATOM 1858 O GLU A 115 1.452 -5.346 -9.052 1.00 0.23 O ATOM 1859 CB GLU A 115 2.489 -5.484 -11.871 1.00 0.30 C ATOM 1860 CG GLU A 115 2.637 -6.953 -12.245 1.00 0.38 C ATOM 1861 CD GLU A 115 1.769 -7.346 -13.422 1.00 1.07 C ATOM 1862 OE1 GLU A 115 1.004 -8.327 -13.306 1.00 1.93 O ATOM 1863 OE2 GLU A 115 1.843 -6.670 -14.470 1.00 1.19 O ATOM 0 H GLU A 115 1.589 -3.219 -10.624 1.00 0.26 H new ATOM 0 HA GLU A 115 0.352 -5.467 -12.111 1.00 0.27 H new ATOM 0 HB2 GLU A 115 2.750 -4.872 -12.735 1.00 0.30 H new ATOM 0 HB3 GLU A 115 3.205 -5.247 -11.084 1.00 0.30 H new ATOM 0 HG2 GLU A 115 3.680 -7.160 -12.483 1.00 0.38 H new ATOM 0 HG3 GLU A 115 2.378 -7.571 -11.385 1.00 0.38 H new ATOM 1870 N PRO A 116 -0.136 -6.649 -9.960 1.00 0.27 N ATOM 1871 CA PRO A 116 -0.388 -7.408 -8.739 1.00 0.26 C ATOM 1872 C PRO A 116 0.799 -8.301 -8.402 1.00 0.23 C ATOM 1873 O PRO A 116 1.111 -9.249 -9.127 1.00 0.27 O ATOM 1874 CB PRO A 116 -1.630 -8.241 -9.082 1.00 0.33 C ATOM 1875 CG PRO A 116 -1.626 -8.324 -10.567 1.00 0.68 C ATOM 1876 CD PRO A 116 -1.058 -7.022 -11.042 1.00 0.34 C ATOM 0 HA PRO A 116 -0.536 -6.773 -7.865 1.00 0.26 H new ATOM 0 HB2 PRO A 116 -1.581 -9.231 -8.629 1.00 0.33 H new ATOM 0 HB3 PRO A 116 -2.540 -7.767 -8.714 1.00 0.33 H new ATOM 0 HG2 PRO A 116 -1.022 -9.164 -10.911 1.00 0.68 H new ATOM 0 HG3 PRO A 116 -2.634 -8.476 -10.954 1.00 0.68 H new ATOM 0 HD2 PRO A 116 -0.539 -7.131 -11.994 1.00 0.34 H new ATOM 0 HD3 PRO A 116 -1.835 -6.271 -11.187 1.00 0.34 H new ATOM 1884 N PHE A 117 1.465 -7.980 -7.308 1.00 0.20 N ATOM 1885 CA PHE A 117 2.675 -8.685 -6.914 1.00 0.21 C ATOM 1886 C PHE A 117 2.515 -9.269 -5.516 1.00 0.21 C ATOM 1887 O PHE A 117 1.892 -8.660 -4.647 1.00 0.19 O ATOM 1888 CB PHE A 117 3.865 -7.724 -6.977 1.00 0.23 C ATOM 1889 CG PHE A 117 5.214 -8.376 -6.819 1.00 0.28 C ATOM 1890 CD1 PHE A 117 6.219 -7.733 -6.116 1.00 0.29 C ATOM 1891 CD2 PHE A 117 5.478 -9.623 -7.365 1.00 0.34 C ATOM 1892 CE1 PHE A 117 7.460 -8.318 -5.958 1.00 0.35 C ATOM 1893 CE2 PHE A 117 6.718 -10.214 -7.211 1.00 0.40 C ATOM 1894 CZ PHE A 117 7.710 -9.560 -6.506 1.00 0.41 C ATOM 0 H PHE A 117 1.188 -7.232 -6.672 1.00 0.20 H new ATOM 0 HA PHE A 117 2.856 -9.512 -7.601 1.00 0.21 H new ATOM 0 HB2 PHE A 117 3.840 -7.200 -7.932 1.00 0.23 H new ATOM 0 HB3 PHE A 117 3.748 -6.971 -6.197 1.00 0.23 H new ATOM 0 HD1 PHE A 117 6.030 -6.761 -5.685 1.00 0.29 H new ATOM 0 HD2 PHE A 117 4.706 -10.138 -7.917 1.00 0.34 H new ATOM 0 HE1 PHE A 117 8.234 -7.805 -5.407 1.00 0.35 H new ATOM 0 HE2 PHE A 117 6.911 -11.186 -7.641 1.00 0.40 H new ATOM 0 HZ PHE A 117 8.680 -10.020 -6.384 1.00 0.41 H new ATOM 1904 N VAL A 118 3.067 -10.464 -5.330 1.00 0.25 N ATOM 1905 CA VAL A 118 2.915 -11.232 -4.098 1.00 0.28 C ATOM 1906 C VAL A 118 3.312 -10.442 -2.846 1.00 0.26 C ATOM 1907 O VAL A 118 4.492 -10.197 -2.592 1.00 0.29 O ATOM 1908 CB VAL A 118 3.720 -12.557 -4.178 1.00 0.35 C ATOM 1909 CG1 VAL A 118 5.155 -12.309 -4.615 1.00 0.65 C ATOM 1910 CG2 VAL A 118 3.690 -13.291 -2.849 1.00 0.71 C ATOM 0 H VAL A 118 3.637 -10.931 -6.035 1.00 0.25 H new ATOM 0 HA VAL A 118 1.853 -11.459 -4.003 1.00 0.28 H new ATOM 0 HB VAL A 118 3.243 -13.185 -4.931 1.00 0.35 H new ATOM 0 HG11 VAL A 118 5.690 -13.257 -4.661 1.00 0.65 H new ATOM 0 HG12 VAL A 118 5.160 -11.842 -5.600 1.00 0.65 H new ATOM 0 HG13 VAL A 118 5.645 -11.650 -3.898 1.00 0.65 H new ATOM 0 HG21 VAL A 118 4.261 -14.216 -2.931 1.00 0.71 H new ATOM 0 HG22 VAL A 118 4.129 -12.661 -2.075 1.00 0.71 H new ATOM 0 HG23 VAL A 118 2.658 -13.524 -2.585 1.00 0.71 H new ATOM 1920 N VAL A 119 2.302 -10.053 -2.073 1.00 0.23 N ATOM 1921 CA VAL A 119 2.508 -9.356 -0.806 1.00 0.22 C ATOM 1922 C VAL A 119 2.309 -10.316 0.363 1.00 0.23 C ATOM 1923 O VAL A 119 2.791 -10.084 1.477 1.00 0.23 O ATOM 1924 CB VAL A 119 1.552 -8.148 -0.668 1.00 0.21 C ATOM 1925 CG1 VAL A 119 0.111 -8.583 -0.810 1.00 0.21 C ATOM 1926 CG2 VAL A 119 1.748 -7.441 0.661 1.00 0.22 C ATOM 0 H VAL A 119 1.321 -10.211 -2.305 1.00 0.23 H new ATOM 0 HA VAL A 119 3.532 -8.982 -0.792 1.00 0.22 H new ATOM 0 HB VAL A 119 1.791 -7.449 -1.470 1.00 0.21 H new ATOM 0 HG11 VAL A 119 -0.542 -7.716 -0.709 1.00 0.21 H new ATOM 0 HG12 VAL A 119 -0.037 -9.037 -1.790 1.00 0.21 H new ATOM 0 HG13 VAL A 119 -0.128 -9.310 -0.033 1.00 0.21 H new ATOM 0 HG21 VAL A 119 1.062 -6.597 0.728 1.00 0.22 H new ATOM 0 HG22 VAL A 119 1.548 -8.137 1.476 1.00 0.22 H new ATOM 0 HG23 VAL A 119 2.774 -7.082 0.734 1.00 0.22 H new ATOM 1936 N GLN A 120 1.601 -11.404 0.093 1.00 0.27 N ATOM 1937 CA GLN A 120 1.352 -12.426 1.099 1.00 0.33 C ATOM 1938 C GLN A 120 2.666 -12.951 1.667 1.00 0.45 C ATOM 1939 O GLN A 120 2.855 -13.001 2.882 1.00 1.35 O ATOM 1940 CB GLN A 120 0.535 -13.585 0.507 1.00 0.32 C ATOM 1941 CG GLN A 120 1.080 -14.121 -0.809 1.00 0.37 C ATOM 1942 CD GLN A 120 0.363 -15.364 -1.307 1.00 0.45 C ATOM 1943 OE1 GLN A 120 0.972 -16.225 -1.941 1.00 1.23 O ATOM 1944 NE2 GLN A 120 -0.932 -15.459 -1.061 1.00 1.21 N ATOM 0 H GLN A 120 1.188 -11.602 -0.818 1.00 0.27 H new ATOM 0 HA GLN A 120 0.777 -11.971 1.906 1.00 0.33 H new ATOM 0 HB2 GLN A 120 0.501 -14.398 1.232 1.00 0.32 H new ATOM 0 HB3 GLN A 120 -0.491 -13.251 0.354 1.00 0.32 H new ATOM 0 HG2 GLN A 120 1.006 -13.341 -1.567 1.00 0.37 H new ATOM 0 HG3 GLN A 120 2.139 -14.348 -0.688 1.00 0.37 H new ATOM 0 HE21 GLN A 120 -1.406 -14.727 -0.532 1.00 1.21 H new ATOM 0 HE22 GLN A 120 -1.458 -16.265 -1.400 1.00 1.21 H new ATOM 1953 N ASP A 121 3.581 -13.298 0.779 1.00 0.72 N ATOM 1954 CA ASP A 121 4.835 -13.907 1.175 1.00 0.76 C ATOM 1955 C ASP A 121 5.977 -12.900 1.084 1.00 0.65 C ATOM 1956 O ASP A 121 6.799 -12.947 0.168 1.00 0.96 O ATOM 1957 CB ASP A 121 5.112 -15.130 0.295 1.00 0.96 C ATOM 1958 CG ASP A 121 6.379 -15.864 0.688 1.00 1.47 C ATOM 1959 OD1 ASP A 121 6.399 -16.489 1.772 1.00 1.55 O ATOM 1960 OD2 ASP A 121 7.353 -15.834 -0.093 1.00 2.35 O ATOM 0 H ASP A 121 3.476 -13.167 -0.227 1.00 0.72 H new ATOM 0 HA ASP A 121 4.761 -14.230 2.213 1.00 0.76 H new ATOM 0 HB2 ASP A 121 4.267 -15.815 0.357 1.00 0.96 H new ATOM 0 HB3 ASP A 121 5.189 -14.813 -0.745 1.00 0.96 H new ATOM 1965 N ILE A 122 5.984 -11.948 2.011 1.00 0.37 N ATOM 1966 CA ILE A 122 7.071 -10.998 2.131 1.00 0.29 C ATOM 1967 C ILE A 122 7.389 -10.769 3.600 1.00 0.24 C ATOM 1968 O ILE A 122 6.539 -10.972 4.472 1.00 0.32 O ATOM 1969 CB ILE A 122 6.751 -9.628 1.489 1.00 0.29 C ATOM 1970 CG1 ILE A 122 5.748 -8.840 2.335 1.00 0.26 C ATOM 1971 CG2 ILE A 122 6.221 -9.806 0.078 1.00 0.36 C ATOM 1972 CD1 ILE A 122 5.742 -7.358 2.037 1.00 0.31 C ATOM 0 H ILE A 122 5.238 -11.818 2.694 1.00 0.37 H new ATOM 0 HA ILE A 122 7.919 -11.430 1.600 1.00 0.29 H new ATOM 0 HB ILE A 122 7.680 -9.059 1.445 1.00 0.29 H new ATOM 0 HG12 ILE A 122 4.748 -9.241 2.166 1.00 0.26 H new ATOM 0 HG13 ILE A 122 5.978 -8.990 3.390 1.00 0.26 H new ATOM 0 HG21 ILE A 122 6.003 -8.830 -0.354 1.00 0.36 H new ATOM 0 HG22 ILE A 122 6.970 -10.313 -0.531 1.00 0.36 H new ATOM 0 HG23 ILE A 122 5.310 -10.403 0.104 1.00 0.36 H new ATOM 0 HD11 ILE A 122 5.008 -6.862 2.672 1.00 0.31 H new ATOM 0 HD12 ILE A 122 6.731 -6.943 2.233 1.00 0.31 H new ATOM 0 HD13 ILE A 122 5.483 -7.198 0.990 1.00 0.31 H new ATOM 1984 N ASP A 123 8.608 -10.341 3.858 1.00 0.23 N ATOM 1985 CA ASP A 123 9.062 -10.055 5.208 1.00 0.25 C ATOM 1986 C ASP A 123 8.775 -8.615 5.584 1.00 0.25 C ATOM 1987 O ASP A 123 8.423 -8.317 6.722 1.00 0.29 O ATOM 1988 CB ASP A 123 10.559 -10.318 5.329 1.00 0.26 C ATOM 1989 CG ASP A 123 10.870 -11.785 5.516 1.00 0.32 C ATOM 1990 OD1 ASP A 123 10.948 -12.505 4.497 1.00 0.30 O ATOM 1991 OD2 ASP A 123 11.049 -12.222 6.669 1.00 0.50 O ATOM 0 H ASP A 123 9.314 -10.181 3.139 1.00 0.23 H new ATOM 0 HA ASP A 123 8.519 -10.711 5.888 1.00 0.25 H new ATOM 0 HB2 ASP A 123 11.063 -9.953 4.434 1.00 0.26 H new ATOM 0 HB3 ASP A 123 10.958 -9.754 6.172 1.00 0.26 H new ATOM 1996 N ALA A 124 8.942 -7.723 4.627 1.00 0.21 N ATOM 1997 CA ALA A 124 8.746 -6.307 4.871 1.00 0.21 C ATOM 1998 C ALA A 124 8.413 -5.576 3.578 1.00 0.19 C ATOM 1999 O ALA A 124 8.705 -6.065 2.489 1.00 0.19 O ATOM 2000 CB ALA A 124 9.996 -5.720 5.513 1.00 0.22 C ATOM 0 H ALA A 124 9.214 -7.954 3.671 1.00 0.21 H new ATOM 0 HA ALA A 124 7.904 -6.181 5.552 1.00 0.21 H new ATOM 0 HB1 ALA A 124 9.846 -4.656 5.695 1.00 0.22 H new ATOM 0 HB2 ALA A 124 10.191 -6.226 6.458 1.00 0.22 H new ATOM 0 HB3 ALA A 124 10.847 -5.857 4.845 1.00 0.22 H new ATOM 2006 N MET A 125 7.786 -4.418 3.709 1.00 0.19 N ATOM 2007 CA MET A 125 7.495 -3.559 2.564 1.00 0.16 C ATOM 2008 C MET A 125 7.790 -2.103 2.918 1.00 0.16 C ATOM 2009 O MET A 125 7.714 -1.713 4.083 1.00 0.18 O ATOM 2010 CB MET A 125 6.037 -3.722 2.088 1.00 0.24 C ATOM 2011 CG MET A 125 5.632 -2.679 1.046 1.00 0.31 C ATOM 2012 SD MET A 125 4.065 -2.981 0.230 1.00 1.16 S ATOM 2013 CE MET A 125 4.304 -2.081 -1.290 1.00 0.73 C ATOM 0 H MET A 125 7.465 -4.046 4.603 1.00 0.19 H new ATOM 0 HA MET A 125 8.140 -3.862 1.739 1.00 0.16 H new ATOM 0 HB2 MET A 125 5.907 -4.719 1.667 1.00 0.24 H new ATOM 0 HB3 MET A 125 5.369 -3.649 2.947 1.00 0.24 H new ATOM 0 HG2 MET A 125 5.589 -1.703 1.530 1.00 0.31 H new ATOM 0 HG3 MET A 125 6.413 -2.624 0.288 1.00 0.31 H new ATOM 0 HE1 MET A 125 3.336 -1.774 -1.687 1.00 0.73 H new ATOM 0 HE2 MET A 125 4.914 -1.198 -1.098 1.00 0.73 H new ATOM 0 HE3 MET A 125 4.808 -2.720 -2.016 1.00 0.73 H new ATOM 2023 N SER A 126 8.171 -1.310 1.928 1.00 0.16 N ATOM 2024 CA SER A 126 8.479 0.097 2.155 1.00 0.18 C ATOM 2025 C SER A 126 7.964 0.975 1.028 1.00 0.22 C ATOM 2026 O SER A 126 7.618 0.485 -0.052 1.00 0.29 O ATOM 2027 CB SER A 126 9.984 0.280 2.268 1.00 0.24 C ATOM 2028 OG SER A 126 10.621 -0.236 1.115 1.00 1.22 O ATOM 0 H SER A 126 8.275 -1.615 0.960 1.00 0.16 H new ATOM 0 HA SER A 126 7.985 0.396 3.080 1.00 0.18 H new ATOM 0 HB2 SER A 126 10.223 1.337 2.383 1.00 0.24 H new ATOM 0 HB3 SER A 126 10.355 -0.229 3.157 1.00 0.24 H new ATOM 0 HG SER A 126 10.800 -1.191 1.240 1.00 1.22 H new ATOM 2034 N VAL A 127 7.912 2.274 1.296 1.00 0.21 N ATOM 2035 CA VAL A 127 7.570 3.254 0.282 1.00 0.23 C ATOM 2036 C VAL A 127 8.642 4.340 0.247 1.00 0.22 C ATOM 2037 O VAL A 127 8.729 5.161 1.161 1.00 0.19 O ATOM 2038 CB VAL A 127 6.206 3.909 0.584 1.00 0.23 C ATOM 2039 CG1 VAL A 127 5.676 4.646 -0.634 1.00 0.27 C ATOM 2040 CG2 VAL A 127 5.206 2.874 1.084 1.00 0.26 C ATOM 0 H VAL A 127 8.105 2.672 2.215 1.00 0.21 H new ATOM 0 HA VAL A 127 7.510 2.745 -0.680 1.00 0.23 H new ATOM 0 HB VAL A 127 6.350 4.642 1.377 1.00 0.23 H new ATOM 0 HG11 VAL A 127 4.714 5.099 -0.395 1.00 0.27 H new ATOM 0 HG12 VAL A 127 6.382 5.425 -0.924 1.00 0.27 H new ATOM 0 HG13 VAL A 127 5.552 3.944 -1.459 1.00 0.27 H new ATOM 0 HG21 VAL A 127 4.252 3.360 1.290 1.00 0.26 H new ATOM 0 HG22 VAL A 127 5.065 2.107 0.323 1.00 0.26 H new ATOM 0 HG23 VAL A 127 5.584 2.414 1.997 1.00 0.26 H new ATOM 2050 N LEU A 128 9.462 4.336 -0.797 1.00 0.28 N ATOM 2051 CA LEU A 128 10.512 5.338 -0.947 1.00 0.32 C ATOM 2052 C LEU A 128 10.138 6.334 -2.033 1.00 0.33 C ATOM 2053 O LEU A 128 9.630 5.956 -3.087 1.00 0.38 O ATOM 2054 CB LEU A 128 11.841 4.691 -1.332 1.00 0.43 C ATOM 2055 CG LEU A 128 12.703 4.076 -0.215 1.00 0.21 C ATOM 2056 CD1 LEU A 128 11.879 3.451 0.901 1.00 0.34 C ATOM 2057 CD2 LEU A 128 13.622 3.034 -0.814 1.00 0.42 C ATOM 0 H LEU A 128 9.421 3.651 -1.552 1.00 0.28 H new ATOM 0 HA LEU A 128 10.618 5.844 0.013 1.00 0.32 H new ATOM 0 HB2 LEU A 128 11.631 3.907 -2.060 1.00 0.43 H new ATOM 0 HB3 LEU A 128 12.443 5.444 -1.840 1.00 0.43 H new ATOM 0 HG LEU A 128 13.276 4.887 0.235 1.00 0.21 H new ATOM 0 HD11 LEU A 128 12.546 3.035 1.657 1.00 0.34 H new ATOM 0 HD12 LEU A 128 11.245 4.212 1.356 1.00 0.34 H new ATOM 0 HD13 LEU A 128 11.255 2.657 0.491 1.00 0.34 H new ATOM 0 HD21 LEU A 128 14.235 2.595 -0.027 1.00 0.42 H new ATOM 0 HD22 LEU A 128 13.027 2.254 -1.289 1.00 0.42 H new ATOM 0 HD23 LEU A 128 14.267 3.502 -1.558 1.00 0.42 H new ATOM 2069 N PRO A 129 10.366 7.619 -1.784 1.00 0.35 N ATOM 2070 CA PRO A 129 10.139 8.657 -2.776 1.00 0.40 C ATOM 2071 C PRO A 129 11.328 8.857 -3.705 1.00 0.56 C ATOM 2072 O PRO A 129 12.381 9.318 -3.271 1.00 0.91 O ATOM 2073 CB PRO A 129 9.943 9.892 -1.916 1.00 0.47 C ATOM 2074 CG PRO A 129 10.787 9.651 -0.701 1.00 0.52 C ATOM 2075 CD PRO A 129 10.874 8.150 -0.520 1.00 0.41 C ATOM 0 HA PRO A 129 9.305 8.418 -3.435 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.256 10.794 -2.442 1.00 0.47 H new ATOM 0 HB3 PRO A 129 8.895 10.026 -1.649 1.00 0.47 H new ATOM 0 HG2 PRO A 129 11.780 10.083 -0.828 1.00 0.52 H new ATOM 0 HG3 PRO A 129 10.344 10.121 0.177 1.00 0.52 H new ATOM 0 HD2 PRO A 129 11.898 7.828 -0.333 1.00 0.41 H new ATOM 0 HD3 PRO A 129 10.275 7.813 0.326 1.00 0.41 H new ATOM 2083 N LYS A 130 11.086 8.610 -4.990 1.00 0.43 N ATOM 2084 CA LYS A 130 12.060 8.797 -6.083 1.00 0.53 C ATOM 2085 C LYS A 130 13.419 8.117 -5.851 1.00 0.47 C ATOM 2086 O LYS A 130 13.811 7.254 -6.637 1.00 0.81 O ATOM 2087 CB LYS A 130 12.211 10.282 -6.373 1.00 0.74 C ATOM 2088 CG LYS A 130 10.900 10.969 -6.753 1.00 0.83 C ATOM 2089 CD LYS A 130 10.238 10.351 -7.988 1.00 1.76 C ATOM 2090 CE LYS A 130 9.340 9.158 -7.649 1.00 2.10 C ATOM 2091 NZ LYS A 130 8.694 8.587 -8.863 1.00 3.29 N ATOM 0 H LYS A 130 10.184 8.264 -5.318 1.00 0.43 H new ATOM 0 HA LYS A 130 11.656 8.288 -6.958 1.00 0.53 H new ATOM 0 HB2 LYS A 130 12.628 10.774 -5.494 1.00 0.74 H new ATOM 0 HB3 LYS A 130 12.928 10.414 -7.183 1.00 0.74 H new ATOM 0 HG2 LYS A 130 10.210 10.914 -5.911 1.00 0.83 H new ATOM 0 HG3 LYS A 130 11.091 12.026 -6.940 1.00 0.83 H new ATOM 0 HD2 LYS A 130 9.646 11.112 -8.496 1.00 1.76 H new ATOM 0 HD3 LYS A 130 11.011 10.030 -8.686 1.00 1.76 H new ATOM 0 HE2 LYS A 130 9.932 8.387 -7.156 1.00 2.10 H new ATOM 0 HE3 LYS A 130 8.572 9.471 -6.942 1.00 2.10 H new ATOM 0 HZ1 LYS A 130 7.993 7.873 -8.580 1.00 3.29 H new ATOM 0 HZ2 LYS A 130 8.220 9.346 -9.394 1.00 3.29 H new ATOM 0 HZ3 LYS A 130 9.417 8.143 -9.465 1.00 3.29 H new ATOM 2105 N GLY A 131 14.134 8.499 -4.799 1.00 0.43 N ATOM 2106 CA GLY A 131 15.369 7.827 -4.440 1.00 0.39 C ATOM 2107 C GLY A 131 15.098 6.464 -3.834 1.00 0.33 C ATOM 2108 O GLY A 131 15.545 6.148 -2.725 1.00 0.44 O ATOM 0 H GLY A 131 13.877 9.270 -4.183 1.00 0.43 H new ATOM 0 HA2 GLY A 131 15.996 7.716 -5.325 1.00 0.39 H new ATOM 0 HA3 GLY A 131 15.926 8.439 -3.730 1.00 0.39 H new ATOM 2112 N SER A 132 14.358 5.659 -4.575 1.00 0.31 N ATOM 2113 CA SER A 132 13.945 4.343 -4.141 1.00 0.36 C ATOM 2114 C SER A 132 15.091 3.353 -4.286 1.00 0.39 C ATOM 2115 O SER A 132 15.009 2.210 -3.833 1.00 0.44 O ATOM 2116 CB SER A 132 12.739 3.912 -4.963 1.00 0.49 C ATOM 2117 OG SER A 132 11.801 4.975 -5.048 1.00 1.23 O ATOM 0 H SER A 132 14.024 5.907 -5.506 1.00 0.31 H new ATOM 0 HA SER A 132 13.667 4.370 -3.087 1.00 0.36 H new ATOM 0 HB2 SER A 132 13.057 3.617 -5.963 1.00 0.49 H new ATOM 0 HB3 SER A 132 12.271 3.040 -4.507 1.00 0.49 H new ATOM 0 HG SER A 132 11.484 5.059 -5.972 1.00 1.23 H new ATOM 2123 N SER A 133 16.170 3.811 -4.908 1.00 0.40 N ATOM 2124 CA SER A 133 17.361 2.999 -5.087 1.00 0.48 C ATOM 2125 C SER A 133 18.017 2.687 -3.738 1.00 0.45 C ATOM 2126 O SER A 133 18.877 1.813 -3.648 1.00 0.51 O ATOM 2127 CB SER A 133 18.346 3.706 -6.019 1.00 0.58 C ATOM 2128 OG SER A 133 17.760 3.943 -7.291 1.00 1.30 O ATOM 0 H SER A 133 16.242 4.750 -5.299 1.00 0.40 H new ATOM 0 HA SER A 133 17.069 2.053 -5.543 1.00 0.48 H new ATOM 0 HB2 SER A 133 18.657 4.652 -5.576 1.00 0.58 H new ATOM 0 HB3 SER A 133 19.243 3.098 -6.135 1.00 0.58 H new ATOM 0 HG SER A 133 18.407 4.397 -7.870 1.00 1.30 H new ATOM 2134 N SER A 134 17.586 3.398 -2.695 1.00 0.40 N ATOM 2135 CA SER A 134 18.039 3.138 -1.331 1.00 0.39 C ATOM 2136 C SER A 134 17.829 1.671 -0.960 1.00 0.34 C ATOM 2137 O SER A 134 18.696 1.042 -0.351 1.00 0.39 O ATOM 2138 CB SER A 134 17.277 4.034 -0.352 1.00 0.39 C ATOM 2139 OG SER A 134 17.449 5.406 -0.674 1.00 0.44 O ATOM 0 H SER A 134 16.918 4.165 -2.772 1.00 0.40 H new ATOM 0 HA SER A 134 19.105 3.360 -1.273 1.00 0.39 H new ATOM 0 HB2 SER A 134 16.217 3.782 -0.374 1.00 0.39 H new ATOM 0 HB3 SER A 134 17.628 3.849 0.663 1.00 0.39 H new ATOM 0 HG SER A 134 16.797 5.666 -1.358 1.00 0.44 H new ATOM 2145 N LEU A 135 16.681 1.132 -1.340 1.00 0.28 N ATOM 2146 CA LEU A 135 16.353 -0.252 -1.053 1.00 0.26 C ATOM 2147 C LEU A 135 16.377 -1.095 -2.327 1.00 0.28 C ATOM 2148 O LEU A 135 15.767 -2.154 -2.390 1.00 0.37 O ATOM 2149 CB LEU A 135 14.974 -0.321 -0.389 1.00 0.24 C ATOM 2150 CG LEU A 135 14.894 0.259 1.030 1.00 0.24 C ATOM 2151 CD1 LEU A 135 13.496 0.112 1.576 1.00 0.25 C ATOM 2152 CD2 LEU A 135 15.891 -0.422 1.938 1.00 0.29 C ATOM 0 H LEU A 135 15.958 1.638 -1.851 1.00 0.28 H new ATOM 0 HA LEU A 135 17.102 -0.658 -0.373 1.00 0.26 H new ATOM 0 HB2 LEU A 135 14.259 0.208 -1.020 1.00 0.24 H new ATOM 0 HB3 LEU A 135 14.658 -1.364 -0.355 1.00 0.24 H new ATOM 0 HG LEU A 135 15.140 1.320 0.986 1.00 0.24 H new ATOM 0 HD11 LEU A 135 13.453 0.527 2.583 1.00 0.25 H new ATOM 0 HD12 LEU A 135 12.796 0.646 0.933 1.00 0.25 H new ATOM 0 HD13 LEU A 135 13.227 -0.944 1.607 1.00 0.25 H new ATOM 0 HD21 LEU A 135 15.820 0.002 2.940 1.00 0.29 H new ATOM 0 HD22 LEU A 135 15.675 -1.490 1.980 1.00 0.29 H new ATOM 0 HD23 LEU A 135 16.899 -0.271 1.551 1.00 0.29 H new ATOM 2164 N LYS A 136 17.086 -0.626 -3.343 1.00 0.30 N ATOM 2165 CA LYS A 136 17.134 -1.319 -4.620 1.00 0.35 C ATOM 2166 C LYS A 136 18.487 -1.986 -4.825 1.00 0.37 C ATOM 2167 O LYS A 136 19.360 -1.443 -5.508 1.00 0.42 O ATOM 2168 CB LYS A 136 16.867 -0.340 -5.759 1.00 0.40 C ATOM 2169 CG LYS A 136 16.695 -1.009 -7.109 1.00 0.46 C ATOM 2170 CD LYS A 136 16.494 0.011 -8.217 1.00 0.57 C ATOM 2171 CE LYS A 136 17.733 0.866 -8.431 1.00 0.98 C ATOM 2172 NZ LYS A 136 18.911 0.054 -8.838 1.00 1.66 N ATOM 0 H LYS A 136 17.636 0.232 -3.307 1.00 0.30 H new ATOM 0 HA LYS A 136 16.363 -2.090 -4.617 1.00 0.35 H new ATOM 0 HB2 LYS A 136 15.969 0.234 -5.530 1.00 0.40 H new ATOM 0 HB3 LYS A 136 17.692 0.370 -5.817 1.00 0.40 H new ATOM 0 HG2 LYS A 136 17.572 -1.617 -7.329 1.00 0.46 H new ATOM 0 HG3 LYS A 136 15.840 -1.684 -7.075 1.00 0.46 H new ATOM 0 HD2 LYS A 136 16.244 -0.505 -9.144 1.00 0.57 H new ATOM 0 HD3 LYS A 136 15.648 0.653 -7.971 1.00 0.57 H new ATOM 0 HE2 LYS A 136 17.528 1.615 -9.196 1.00 0.98 H new ATOM 0 HE3 LYS A 136 17.965 1.404 -7.512 1.00 0.98 H new ATOM 0 HZ1 LYS A 136 19.657 0.682 -9.200 1.00 1.66 H new ATOM 0 HZ2 LYS A 136 19.270 -0.473 -8.016 1.00 1.66 H new ATOM 0 HZ3 LYS A 136 18.631 -0.615 -9.583 1.00 1.66 H new ATOM 2186 N VAL A 137 18.668 -3.147 -4.224 1.00 0.37 N ATOM 2187 CA VAL A 137 19.905 -3.888 -4.366 1.00 0.42 C ATOM 2188 C VAL A 137 19.595 -5.383 -4.489 1.00 0.46 C ATOM 2189 O VAL A 137 18.458 -5.796 -4.274 1.00 0.51 O ATOM 2190 CB VAL A 137 20.853 -3.577 -3.180 1.00 0.41 C ATOM 2191 CG1 VAL A 137 20.174 -3.875 -1.861 1.00 0.34 C ATOM 2192 CG2 VAL A 137 22.175 -4.319 -3.285 1.00 0.51 C ATOM 0 H VAL A 137 17.971 -3.598 -3.631 1.00 0.37 H new ATOM 0 HA VAL A 137 20.421 -3.581 -5.276 1.00 0.42 H new ATOM 0 HB VAL A 137 21.082 -2.512 -3.225 1.00 0.41 H new ATOM 0 HG11 VAL A 137 20.856 -3.650 -1.041 1.00 0.34 H new ATOM 0 HG12 VAL A 137 19.278 -3.261 -1.766 1.00 0.34 H new ATOM 0 HG13 VAL A 137 19.898 -4.929 -1.824 1.00 0.34 H new ATOM 0 HG21 VAL A 137 22.803 -4.067 -2.430 1.00 0.51 H new ATOM 0 HG22 VAL A 137 21.990 -5.393 -3.295 1.00 0.51 H new ATOM 0 HG23 VAL A 137 22.682 -4.030 -4.206 1.00 0.51 H new ATOM 2202 N LYS A 138 20.577 -6.174 -4.868 1.00 0.50 N ATOM 2203 CA LYS A 138 20.381 -7.599 -5.099 1.00 0.57 C ATOM 2204 C LYS A 138 19.895 -8.298 -3.834 1.00 0.47 C ATOM 2205 O LYS A 138 18.946 -9.082 -3.868 1.00 0.53 O ATOM 2206 CB LYS A 138 21.698 -8.191 -5.583 1.00 0.69 C ATOM 2207 CG LYS A 138 22.300 -7.359 -6.697 1.00 1.22 C ATOM 2208 CD LYS A 138 23.806 -7.474 -6.751 1.00 1.34 C ATOM 2209 CE LYS A 138 24.395 -6.317 -7.537 1.00 1.59 C ATOM 2210 NZ LYS A 138 25.863 -6.456 -7.718 1.00 2.06 N ATOM 0 H LYS A 138 21.532 -5.853 -5.026 1.00 0.50 H new ATOM 0 HA LYS A 138 19.612 -7.747 -5.857 1.00 0.57 H new ATOM 0 HB2 LYS A 138 22.400 -8.251 -4.751 1.00 0.69 H new ATOM 0 HB3 LYS A 138 21.534 -9.209 -5.935 1.00 0.69 H new ATOM 0 HG2 LYS A 138 21.879 -7.676 -7.651 1.00 1.22 H new ATOM 0 HG3 LYS A 138 22.023 -6.314 -6.557 1.00 1.22 H new ATOM 0 HD2 LYS A 138 24.213 -7.480 -5.740 1.00 1.34 H new ATOM 0 HD3 LYS A 138 24.089 -8.419 -7.215 1.00 1.34 H new ATOM 0 HE2 LYS A 138 23.913 -6.260 -8.513 1.00 1.59 H new ATOM 0 HE3 LYS A 138 24.181 -5.382 -7.020 1.00 1.59 H new ATOM 0 HZ1 LYS A 138 26.224 -5.645 -8.260 1.00 2.06 H new ATOM 0 HZ2 LYS A 138 26.326 -6.485 -6.787 1.00 2.06 H new ATOM 0 HZ3 LYS A 138 26.067 -7.336 -8.234 1.00 2.06 H new ATOM 2224 N THR A 139 20.521 -7.975 -2.718 1.00 0.37 N ATOM 2225 CA THR A 139 20.152 -8.552 -1.433 1.00 0.29 C ATOM 2226 C THR A 139 20.191 -7.491 -0.350 1.00 0.25 C ATOM 2227 O THR A 139 20.978 -6.549 -0.431 1.00 0.28 O ATOM 2228 CB THR A 139 21.078 -9.714 -1.044 1.00 0.31 C ATOM 2229 OG1 THR A 139 22.256 -9.703 -1.865 1.00 0.39 O ATOM 2230 CG2 THR A 139 20.361 -11.048 -1.181 1.00 0.39 C ATOM 0 H THR A 139 21.294 -7.311 -2.673 1.00 0.37 H new ATOM 0 HA THR A 139 19.139 -8.942 -1.531 1.00 0.29 H new ATOM 0 HB THR A 139 21.367 -9.585 -0.001 1.00 0.31 H new ATOM 0 HG1 THR A 139 22.841 -10.446 -1.608 1.00 0.39 H new ATOM 0 HG21 THR A 139 21.037 -11.855 -0.900 1.00 0.39 H new ATOM 0 HG22 THR A 139 19.489 -11.061 -0.527 1.00 0.39 H new ATOM 0 HG23 THR A 139 20.042 -11.185 -2.214 1.00 0.39 H new ATOM 2238 N MET A 140 19.353 -7.636 0.664 1.00 0.26 N ATOM 2239 CA MET A 140 19.224 -6.604 1.668 1.00 0.32 C ATOM 2240 C MET A 140 18.947 -7.173 3.049 1.00 0.34 C ATOM 2241 O MET A 140 18.528 -8.320 3.195 1.00 0.38 O ATOM 2242 CB MET A 140 18.114 -5.647 1.284 1.00 0.38 C ATOM 2243 CG MET A 140 18.633 -4.320 0.799 1.00 0.60 C ATOM 2244 SD MET A 140 17.523 -2.980 1.179 1.00 0.78 S ATOM 2245 CE MET A 140 17.552 -3.111 2.955 1.00 0.40 C ATOM 0 H MET A 140 18.759 -8.452 0.809 1.00 0.26 H new ATOM 0 HA MET A 140 20.177 -6.077 1.713 1.00 0.32 H new ATOM 0 HB2 MET A 140 17.503 -6.100 0.504 1.00 0.38 H new ATOM 0 HB3 MET A 140 17.465 -5.486 2.145 1.00 0.38 H new ATOM 0 HG2 MET A 140 19.604 -4.124 1.253 1.00 0.60 H new ATOM 0 HG3 MET A 140 18.789 -4.365 -0.279 1.00 0.60 H new ATOM 0 HE1 MET A 140 17.323 -2.141 3.395 1.00 0.40 H new ATOM 0 HE2 MET A 140 16.810 -3.841 3.278 1.00 0.40 H new ATOM 0 HE3 MET A 140 18.542 -3.432 3.280 1.00 0.40 H new ATOM 2255 N ALA A 141 19.205 -6.355 4.057 1.00 0.34 N ATOM 2256 CA ALA A 141 18.886 -6.693 5.430 1.00 0.38 C ATOM 2257 C ALA A 141 17.468 -6.251 5.757 1.00 0.34 C ATOM 2258 O ALA A 141 17.090 -5.109 5.497 1.00 0.36 O ATOM 2259 CB ALA A 141 19.873 -6.020 6.369 1.00 0.44 C ATOM 0 H ALA A 141 19.641 -5.440 3.944 1.00 0.34 H new ATOM 0 HA ALA A 141 18.956 -7.773 5.558 1.00 0.38 H new ATOM 0 HB1 ALA A 141 19.628 -6.278 7.399 1.00 0.44 H new ATOM 0 HB2 ALA A 141 20.883 -6.360 6.140 1.00 0.44 H new ATOM 0 HB3 ALA A 141 19.817 -4.939 6.242 1.00 0.44 H new ATOM 2265 N LYS A 142 16.695 -7.165 6.331 1.00 0.32 N ATOM 2266 CA LYS A 142 15.314 -6.894 6.717 1.00 0.30 C ATOM 2267 C LYS A 142 15.248 -5.755 7.731 1.00 0.26 C ATOM 2268 O LYS A 142 14.254 -5.036 7.804 1.00 0.24 O ATOM 2269 CB LYS A 142 14.685 -8.162 7.297 1.00 0.33 C ATOM 2270 CG LYS A 142 13.234 -8.000 7.715 1.00 0.32 C ATOM 2271 CD LYS A 142 12.641 -9.324 8.159 1.00 0.38 C ATOM 2272 CE LYS A 142 11.172 -9.179 8.515 1.00 0.49 C ATOM 2273 NZ LYS A 142 10.539 -10.495 8.822 1.00 1.11 N ATOM 0 H LYS A 142 17.006 -8.113 6.542 1.00 0.32 H new ATOM 0 HA LYS A 142 14.755 -6.589 5.832 1.00 0.30 H new ATOM 0 HB2 LYS A 142 14.752 -8.959 6.556 1.00 0.33 H new ATOM 0 HB3 LYS A 142 15.267 -8.481 8.161 1.00 0.33 H new ATOM 0 HG2 LYS A 142 13.165 -7.277 8.528 1.00 0.32 H new ATOM 0 HG3 LYS A 142 12.655 -7.600 6.882 1.00 0.32 H new ATOM 0 HD2 LYS A 142 12.754 -10.060 7.363 1.00 0.38 H new ATOM 0 HD3 LYS A 142 13.191 -9.700 9.022 1.00 0.38 H new ATOM 0 HE2 LYS A 142 11.071 -8.518 9.376 1.00 0.49 H new ATOM 0 HE3 LYS A 142 10.643 -8.707 7.687 1.00 0.49 H new ATOM 0 HZ1 LYS A 142 9.507 -10.414 8.727 1.00 1.11 H new ATOM 0 HZ2 LYS A 142 10.893 -11.214 8.159 1.00 1.11 H new ATOM 0 HZ3 LYS A 142 10.776 -10.776 9.795 1.00 1.11 H new ATOM 2287 N ASP A 143 16.326 -5.588 8.485 1.00 0.29 N ATOM 2288 CA ASP A 143 16.421 -4.524 9.478 1.00 0.31 C ATOM 2289 C ASP A 143 16.618 -3.189 8.790 1.00 0.28 C ATOM 2290 O ASP A 143 15.974 -2.191 9.118 1.00 0.29 O ATOM 2291 CB ASP A 143 17.589 -4.784 10.431 1.00 0.37 C ATOM 2292 CG ASP A 143 17.933 -3.568 11.270 1.00 0.49 C ATOM 2293 OD1 ASP A 143 17.214 -3.297 12.253 1.00 0.66 O ATOM 2294 OD2 ASP A 143 18.928 -2.882 10.957 1.00 0.52 O ATOM 0 H ASP A 143 17.154 -6.181 8.427 1.00 0.29 H new ATOM 0 HA ASP A 143 15.494 -4.504 10.051 1.00 0.31 H new ATOM 0 HB2 ASP A 143 17.339 -5.617 11.088 1.00 0.37 H new ATOM 0 HB3 ASP A 143 18.464 -5.084 9.855 1.00 0.37 H new ATOM 2299 N MET A 144 17.504 -3.193 7.811 1.00 0.29 N ATOM 2300 CA MET A 144 17.819 -2.000 7.060 1.00 0.30 C ATOM 2301 C MET A 144 16.635 -1.595 6.206 1.00 0.24 C ATOM 2302 O MET A 144 16.361 -0.416 6.039 1.00 0.25 O ATOM 2303 CB MET A 144 19.038 -2.242 6.176 1.00 0.35 C ATOM 2304 CG MET A 144 19.275 -1.138 5.155 1.00 0.36 C ATOM 2305 SD MET A 144 20.616 -1.509 4.008 1.00 0.48 S ATOM 2306 CE MET A 144 20.384 -0.214 2.789 1.00 0.43 C ATOM 0 H MET A 144 18.022 -4.022 7.518 1.00 0.29 H new ATOM 0 HA MET A 144 18.044 -1.195 7.760 1.00 0.30 H new ATOM 0 HB2 MET A 144 19.921 -2.338 6.807 1.00 0.35 H new ATOM 0 HB3 MET A 144 18.915 -3.190 5.653 1.00 0.35 H new ATOM 0 HG2 MET A 144 18.358 -0.971 4.590 1.00 0.36 H new ATOM 0 HG3 MET A 144 19.500 -0.209 5.679 1.00 0.36 H new ATOM 0 HE1 MET A 144 21.140 -0.308 2.010 1.00 0.43 H new ATOM 0 HE2 MET A 144 19.393 -0.305 2.345 1.00 0.43 H new ATOM 0 HE3 MET A 144 20.478 0.760 3.270 1.00 0.43 H new ATOM 2316 N PHE A 145 15.934 -2.587 5.681 1.00 0.21 N ATOM 2317 CA PHE A 145 14.801 -2.356 4.799 1.00 0.17 C ATOM 2318 C PHE A 145 13.774 -1.450 5.464 1.00 0.15 C ATOM 2319 O PHE A 145 13.443 -0.381 4.945 1.00 0.16 O ATOM 2320 CB PHE A 145 14.157 -3.687 4.427 1.00 0.19 C ATOM 2321 CG PHE A 145 13.156 -3.567 3.321 1.00 0.17 C ATOM 2322 CD1 PHE A 145 11.807 -3.491 3.601 1.00 0.24 C ATOM 2323 CD2 PHE A 145 13.568 -3.519 2.001 1.00 0.18 C ATOM 2324 CE1 PHE A 145 10.883 -3.373 2.587 1.00 0.30 C ATOM 2325 CE2 PHE A 145 12.647 -3.400 0.981 1.00 0.23 C ATOM 2326 CZ PHE A 145 11.303 -3.327 1.275 1.00 0.29 C ATOM 0 H PHE A 145 16.133 -3.572 5.853 1.00 0.21 H new ATOM 0 HA PHE A 145 15.160 -1.863 3.896 1.00 0.17 H new ATOM 0 HB2 PHE A 145 14.935 -4.390 4.130 1.00 0.19 H new ATOM 0 HB3 PHE A 145 13.669 -4.106 5.307 1.00 0.19 H new ATOM 0 HD1 PHE A 145 11.472 -3.524 4.627 1.00 0.24 H new ATOM 0 HD2 PHE A 145 14.621 -3.575 1.767 1.00 0.18 H new ATOM 0 HE1 PHE A 145 9.830 -3.317 2.820 1.00 0.30 H new ATOM 0 HE2 PHE A 145 12.979 -3.364 -0.046 1.00 0.23 H new ATOM 0 HZ PHE A 145 10.580 -3.234 0.479 1.00 0.29 H new ATOM 2336 N VAL A 146 13.286 -1.874 6.621 1.00 0.15 N ATOM 2337 CA VAL A 146 12.301 -1.095 7.348 1.00 0.14 C ATOM 2338 C VAL A 146 12.879 0.229 7.837 1.00 0.15 C ATOM 2339 O VAL A 146 12.238 1.267 7.713 1.00 0.16 O ATOM 2340 CB VAL A 146 11.671 -1.876 8.527 1.00 0.16 C ATOM 2341 CG1 VAL A 146 12.687 -2.758 9.230 1.00 0.19 C ATOM 2342 CG2 VAL A 146 11.039 -0.909 9.512 1.00 0.17 C ATOM 0 H VAL A 146 13.556 -2.748 7.072 1.00 0.15 H new ATOM 0 HA VAL A 146 11.504 -0.883 6.636 1.00 0.14 H new ATOM 0 HB VAL A 146 10.901 -2.530 8.118 1.00 0.16 H new ATOM 0 HG11 VAL A 146 12.203 -3.288 10.050 1.00 0.19 H new ATOM 0 HG12 VAL A 146 13.094 -3.480 8.522 1.00 0.19 H new ATOM 0 HG13 VAL A 146 13.495 -2.141 9.623 1.00 0.19 H new ATOM 0 HG21 VAL A 146 10.598 -1.467 10.338 1.00 0.17 H new ATOM 0 HG22 VAL A 146 11.801 -0.232 9.897 1.00 0.17 H new ATOM 0 HG23 VAL A 146 10.263 -0.332 9.009 1.00 0.17 H new ATOM 2352 N SER A 147 14.090 0.205 8.364 1.00 0.18 N ATOM 2353 CA SER A 147 14.708 1.419 8.871 1.00 0.21 C ATOM 2354 C SER A 147 14.905 2.443 7.747 1.00 0.21 C ATOM 2355 O SER A 147 14.625 3.632 7.925 1.00 0.24 O ATOM 2356 CB SER A 147 16.032 1.081 9.551 1.00 0.25 C ATOM 2357 OG SER A 147 16.681 2.247 10.031 1.00 0.85 O ATOM 0 H SER A 147 14.662 -0.635 8.452 1.00 0.18 H new ATOM 0 HA SER A 147 14.046 1.870 9.610 1.00 0.21 H new ATOM 0 HB2 SER A 147 15.852 0.396 10.379 1.00 0.25 H new ATOM 0 HB3 SER A 147 16.683 0.565 8.846 1.00 0.25 H new ATOM 0 HG SER A 147 17.525 1.998 10.462 1.00 0.85 H new ATOM 2363 N ARG A 148 15.362 1.969 6.588 1.00 0.20 N ATOM 2364 CA ARG A 148 15.527 2.809 5.406 1.00 0.21 C ATOM 2365 C ARG A 148 14.194 3.379 4.960 1.00 0.19 C ATOM 2366 O ARG A 148 14.090 4.558 4.636 1.00 0.27 O ATOM 2367 CB ARG A 148 16.125 2.001 4.258 1.00 0.23 C ATOM 2368 CG ARG A 148 17.636 1.884 4.289 1.00 0.29 C ATOM 2369 CD ARG A 148 18.317 3.026 3.543 1.00 0.43 C ATOM 2370 NE ARG A 148 17.754 4.341 3.864 1.00 1.22 N ATOM 2371 CZ ARG A 148 18.482 5.403 4.210 1.00 1.53 C ATOM 2372 NH1 ARG A 148 19.793 5.292 4.384 1.00 1.19 N ATOM 2373 NH2 ARG A 148 17.894 6.578 4.386 1.00 2.48 N ATOM 0 H ARG A 148 15.627 0.995 6.444 1.00 0.20 H new ATOM 0 HA ARG A 148 16.199 3.626 5.671 1.00 0.21 H new ATOM 0 HB2 ARG A 148 15.696 0.999 4.274 1.00 0.23 H new ATOM 0 HB3 ARG A 148 15.828 2.460 3.315 1.00 0.23 H new ATOM 0 HG2 ARG A 148 17.977 1.874 5.324 1.00 0.29 H new ATOM 0 HG3 ARG A 148 17.934 0.934 3.846 1.00 0.29 H new ATOM 0 HD2 ARG A 148 19.380 3.025 3.782 1.00 0.43 H new ATOM 0 HD3 ARG A 148 18.231 2.853 2.470 1.00 0.43 H new ATOM 0 HE ARG A 148 16.741 4.450 3.820 1.00 1.22 H new ATOM 0 HH11 ARG A 148 20.250 4.390 4.253 1.00 1.19 H new ATOM 0 HH12 ARG A 148 20.343 6.109 4.649 1.00 1.19 H new ATOM 0 HH21 ARG A 148 16.886 6.668 4.257 1.00 2.48 H new ATOM 0 HH22 ARG A 148 18.449 7.392 4.651 1.00 2.48 H new ATOM 2387 N GLY A 149 13.179 2.533 4.936 1.00 0.14 N ATOM 2388 CA GLY A 149 11.870 2.976 4.530 1.00 0.13 C ATOM 2389 C GLY A 149 11.263 3.918 5.546 1.00 0.15 C ATOM 2390 O GLY A 149 10.654 4.913 5.183 1.00 0.17 O ATOM 0 H GLY A 149 13.241 1.547 5.191 1.00 0.14 H new ATOM 0 HA2 GLY A 149 11.938 3.476 3.564 1.00 0.13 H new ATOM 0 HA3 GLY A 149 11.218 2.113 4.397 1.00 0.13 H new ATOM 2394 N ASN A 150 11.449 3.608 6.821 1.00 0.17 N ATOM 2395 CA ASN A 150 10.925 4.430 7.906 1.00 0.22 C ATOM 2396 C ASN A 150 11.499 5.848 7.861 1.00 0.23 C ATOM 2397 O ASN A 150 10.777 6.819 8.074 1.00 0.26 O ATOM 2398 CB ASN A 150 11.225 3.785 9.262 1.00 0.32 C ATOM 2399 CG ASN A 150 10.631 4.559 10.424 1.00 0.46 C ATOM 2400 OD1 ASN A 150 9.482 4.337 10.810 1.00 1.42 O ATOM 2401 ND2 ASN A 150 11.409 5.460 11.003 1.00 0.93 N ATOM 0 H ASN A 150 11.964 2.785 7.133 1.00 0.17 H new ATOM 0 HA ASN A 150 9.845 4.498 7.776 1.00 0.22 H new ATOM 0 HB2 ASN A 150 10.833 2.768 9.270 1.00 0.32 H new ATOM 0 HB3 ASN A 150 12.305 3.712 9.394 1.00 0.32 H new ATOM 0 HD21 ASN A 150 11.062 5.998 11.797 1.00 0.93 H new ATOM 0 HD22 ASN A 150 12.355 5.616 10.655 1.00 0.93 H new ATOM 2408 N THR A 151 12.794 5.969 7.579 1.00 0.23 N ATOM 2409 CA THR A 151 13.423 7.283 7.470 1.00 0.27 C ATOM 2410 C THR A 151 13.049 7.940 6.138 1.00 0.27 C ATOM 2411 O THR A 151 13.085 9.161 5.999 1.00 0.33 O ATOM 2412 CB THR A 151 14.962 7.208 7.634 1.00 0.30 C ATOM 2413 OG1 THR A 151 15.543 8.518 7.573 1.00 0.40 O ATOM 2414 CG2 THR A 151 15.595 6.328 6.575 1.00 0.27 C ATOM 0 H THR A 151 13.423 5.182 7.423 1.00 0.23 H new ATOM 0 HA THR A 151 13.046 7.898 8.287 1.00 0.27 H new ATOM 0 HB THR A 151 15.159 6.768 8.612 1.00 0.30 H new ATOM 0 HG1 THR A 151 16.515 8.450 7.680 1.00 0.40 H new ATOM 0 HG21 THR A 151 16.675 6.300 6.723 1.00 0.27 H new ATOM 0 HG22 THR A 151 15.192 5.318 6.652 1.00 0.27 H new ATOM 0 HG23 THR A 151 15.374 6.732 5.587 1.00 0.27 H new ATOM 2422 N GLU A 152 12.683 7.112 5.164 1.00 0.25 N ATOM 2423 CA GLU A 152 12.091 7.594 3.921 1.00 0.30 C ATOM 2424 C GLU A 152 10.637 7.993 4.164 1.00 0.28 C ATOM 2425 O GLU A 152 10.008 8.661 3.345 1.00 0.30 O ATOM 2426 CB GLU A 152 12.191 6.523 2.850 1.00 0.34 C ATOM 2427 CG GLU A 152 13.456 6.615 2.011 1.00 0.52 C ATOM 2428 CD GLU A 152 14.500 7.574 2.563 1.00 0.63 C ATOM 2429 OE1 GLU A 152 15.343 7.134 3.373 1.00 1.31 O ATOM 2430 OE2 GLU A 152 14.467 8.778 2.222 1.00 0.98 O ATOM 0 H GLU A 152 12.787 6.098 5.213 1.00 0.25 H new ATOM 0 HA GLU A 152 12.636 8.472 3.574 1.00 0.30 H new ATOM 0 HB2 GLU A 152 12.150 5.542 3.324 1.00 0.34 H new ATOM 0 HB3 GLU A 152 11.324 6.596 2.194 1.00 0.34 H new ATOM 0 HG2 GLU A 152 13.898 5.622 1.929 1.00 0.52 H new ATOM 0 HG3 GLU A 152 13.188 6.929 1.002 1.00 0.52 H new ATOM 2437 N GLY A 153 10.136 7.593 5.324 1.00 0.25 N ATOM 2438 CA GLY A 153 8.826 7.995 5.784 1.00 0.25 C ATOM 2439 C GLY A 153 7.788 6.888 5.765 1.00 0.21 C ATOM 2440 O GLY A 153 6.718 7.048 6.355 1.00 0.24 O ATOM 0 H GLY A 153 10.632 6.979 5.970 1.00 0.25 H new ATOM 0 HA2 GLY A 153 8.913 8.378 6.801 1.00 0.25 H new ATOM 0 HA3 GLY A 153 8.473 8.818 5.163 1.00 0.25 H new ATOM 2444 N ALA A 154 8.058 5.772 5.092 1.00 0.17 N ATOM 2445 CA ALA A 154 7.179 4.612 5.213 1.00 0.16 C ATOM 2446 C ALA A 154 7.909 3.286 5.134 1.00 0.14 C ATOM 2447 O ALA A 154 8.626 3.013 4.170 1.00 0.15 O ATOM 2448 CB ALA A 154 6.090 4.637 4.175 1.00 0.19 C ATOM 0 H ALA A 154 8.858 5.647 4.472 1.00 0.17 H new ATOM 0 HA ALA A 154 6.744 4.689 6.210 1.00 0.16 H new ATOM 0 HB1 ALA A 154 5.454 3.760 4.294 1.00 0.19 H new ATOM 0 HB2 ALA A 154 5.491 5.539 4.298 1.00 0.19 H new ATOM 0 HB3 ALA A 154 6.535 4.631 3.180 1.00 0.19 H new ATOM 2454 N SER A 155 7.687 2.452 6.124 1.00 0.15 N ATOM 2455 CA SER A 155 8.011 1.047 6.013 1.00 0.16 C ATOM 2456 C SER A 155 7.110 0.241 6.921 1.00 0.15 C ATOM 2457 O SER A 155 6.419 0.788 7.782 1.00 0.19 O ATOM 2458 CB SER A 155 9.464 0.762 6.349 1.00 0.23 C ATOM 2459 OG SER A 155 9.859 -0.503 5.844 1.00 1.42 O ATOM 0 H SER A 155 7.281 2.723 7.020 1.00 0.15 H new ATOM 0 HA SER A 155 7.853 0.757 4.974 1.00 0.16 H new ATOM 0 HB2 SER A 155 10.099 1.541 5.927 1.00 0.23 H new ATOM 0 HB3 SER A 155 9.604 0.787 7.430 1.00 0.23 H new ATOM 0 HG SER A 155 9.222 -0.795 5.159 1.00 1.42 H new ATOM 2465 N ILE A 156 7.124 -1.053 6.711 1.00 0.14 N ATOM 2466 CA ILE A 156 6.285 -1.963 7.448 1.00 0.15 C ATOM 2467 C ILE A 156 6.925 -3.348 7.447 1.00 0.15 C ATOM 2468 O ILE A 156 7.163 -3.940 6.392 1.00 0.17 O ATOM 2469 CB ILE A 156 4.853 -1.978 6.861 1.00 0.18 C ATOM 2470 CG1 ILE A 156 3.945 -2.914 7.641 1.00 0.21 C ATOM 2471 CG2 ILE A 156 4.858 -2.354 5.386 1.00 0.21 C ATOM 2472 CD1 ILE A 156 2.484 -2.587 7.450 1.00 0.28 C ATOM 0 H ILE A 156 7.722 -1.506 6.020 1.00 0.14 H new ATOM 0 HA ILE A 156 6.196 -1.631 8.483 1.00 0.15 H new ATOM 0 HB ILE A 156 4.460 -0.965 6.952 1.00 0.18 H new ATOM 0 HG12 ILE A 156 4.129 -3.941 7.326 1.00 0.21 H new ATOM 0 HG13 ILE A 156 4.192 -2.856 8.701 1.00 0.21 H new ATOM 0 HG21 ILE A 156 3.836 -2.355 5.007 1.00 0.21 H new ATOM 0 HG22 ILE A 156 5.451 -1.630 4.828 1.00 0.21 H new ATOM 0 HG23 ILE A 156 5.290 -3.347 5.265 1.00 0.21 H new ATOM 0 HD11 ILE A 156 1.877 -3.284 8.028 1.00 0.28 H new ATOM 0 HD12 ILE A 156 2.291 -1.570 7.790 1.00 0.28 H new ATOM 0 HD13 ILE A 156 2.227 -2.671 6.394 1.00 0.28 H new ATOM 2484 N SER A 157 7.239 -3.842 8.627 1.00 0.16 N ATOM 2485 CA SER A 157 8.005 -5.065 8.754 1.00 0.19 C ATOM 2486 C SER A 157 7.229 -6.120 9.524 1.00 0.20 C ATOM 2487 O SER A 157 6.655 -5.846 10.581 1.00 0.34 O ATOM 2488 CB SER A 157 9.346 -4.764 9.434 1.00 0.34 C ATOM 2489 OG SER A 157 9.161 -4.000 10.617 1.00 1.44 O ATOM 0 H SER A 157 6.975 -3.414 9.514 1.00 0.16 H new ATOM 0 HA SER A 157 8.196 -5.465 7.758 1.00 0.19 H new ATOM 0 HB2 SER A 157 9.852 -5.699 9.677 1.00 0.34 H new ATOM 0 HB3 SER A 157 9.993 -4.221 8.745 1.00 0.34 H new ATOM 0 HG SER A 157 10.031 -3.823 11.032 1.00 1.44 H new ATOM 2495 N PHE A 158 7.191 -7.321 8.977 1.00 0.20 N ATOM 2496 CA PHE A 158 6.533 -8.429 9.617 1.00 0.32 C ATOM 2497 C PHE A 158 7.497 -9.598 9.747 1.00 0.74 C ATOM 2498 O PHE A 158 8.133 -9.728 10.810 1.00 1.33 O ATOM 2499 CB PHE A 158 5.307 -8.829 8.809 1.00 0.97 C ATOM 2500 CG PHE A 158 4.191 -7.829 8.874 1.00 1.03 C ATOM 2501 CD1 PHE A 158 3.949 -6.987 7.808 1.00 0.97 C ATOM 2502 CD2 PHE A 158 3.379 -7.742 9.992 1.00 1.42 C ATOM 2503 CE1 PHE A 158 2.919 -6.072 7.846 1.00 1.38 C ATOM 2504 CE2 PHE A 158 2.348 -6.826 10.041 1.00 1.81 C ATOM 2505 CZ PHE A 158 2.117 -5.991 8.966 1.00 1.81 C ATOM 2506 OXT PHE A 158 7.651 -10.362 8.774 1.00 1.62 O ATOM 0 H PHE A 158 7.616 -7.549 8.078 1.00 0.20 H new ATOM 0 HA PHE A 158 6.212 -8.135 10.617 1.00 0.32 H new ATOM 0 HB2 PHE A 158 5.598 -8.968 7.768 1.00 0.97 H new ATOM 0 HB3 PHE A 158 4.943 -9.791 9.170 1.00 0.97 H new ATOM 0 HD1 PHE A 158 4.576 -7.046 6.931 1.00 0.97 H new ATOM 0 HD2 PHE A 158 3.554 -8.397 10.833 1.00 1.42 H new ATOM 0 HE1 PHE A 158 2.740 -5.421 7.003 1.00 1.38 H new ATOM 0 HE2 PHE A 158 1.723 -6.762 10.919 1.00 1.81 H new ATOM 0 HZ PHE A 158 1.309 -5.275 9.002 1.00 1.81 H new