USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1007 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 45 TYR OH : rot -169:sc= 0.554 USER MOD Set 1.2: A 53 LYS NZ :NH3+ -130:sc= 1.65 (180deg=-0.0601) USER MOD Set 1.3: A 57 THR OG1 : rot -63:sc= -1.08! USER MOD Set 2.1: A 4 THR OG1 : rot 180:sc= 1.06 USER MOD Set 2.2: A 7 SER OG : rot 93:sc= 1.25 USER MOD Single : A 8 SER OG : rot -137:sc= -1.11 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0952 USER MOD Single : A 12 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.084) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.56 K(o=-1.6,f=-0.51) USER MOD Single : A 20 GLN : amide:sc= 1.53 K(o=1.5,f=-8.7!) USER MOD Single : A 21 LYS NZ :NH3+ -122:sc= 0.938 (180deg=-0.262) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -154:sc= -1.38 (180deg=-1.81) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 0.31 (180deg=0.222) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -110:sc= 1.21 (180deg=0.452) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -119:sc= -0.0738 (180deg=-1.11) USER MOD Single : A 43 HIS : no HD1:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.808 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0918 X(o=-0.092,f=-0.063) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 163:sc= -0.0787 (180deg=-0.408) USER MOD Single : A 70 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-5.4!) USER MOD Single : A 76 LYS NZ :NH3+ -151:sc= 1.18 (180deg=1.11) USER MOD Single : A 81 LYS NZ :NH3+ 161:sc= 1.28 (180deg=1.08) USER MOD Single : A 82 ASN : amide:sc= -0.706 K(o=-0.71,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 91:sc= 1.24 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0358 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 158:sc= 1.19 (180deg=0.462) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 THR OG1 : rot -6:sc= 0.919 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 177:sc= 0.474 (180deg=0.467) USER MOD Single : A 111 GLN : amide:sc= 0.365 X(o=0.36,f=-0.098) USER MOD Single : A 112 TYR OH : rot -75:sc= 0.802 USER MOD Single : A 121 LYS NZ :NH3+ -172:sc= 1.23 (180deg=1.16) USER MOD Single : A 122 LYS NZ :NH3+ 146:sc= 0.421 (180deg=-1.37!) USER MOD Single : A 124 TYR OH : rot 130:sc= 0.222 USER MOD ----------------------------------------------------------------- ATOM 105 N PHE A 3 -2.851 6.360 -11.115 1.00 1.08 N ATOM 106 CA PHE A 3 -2.164 6.111 -9.859 1.00 0.89 C ATOM 107 C PHE A 3 -1.726 7.412 -9.212 1.00 0.90 C ATOM 108 O PHE A 3 -0.625 7.907 -9.456 1.00 1.22 O ATOM 109 CB PHE A 3 -0.958 5.193 -10.061 1.00 0.94 C ATOM 110 CG PHE A 3 -1.308 3.735 -10.040 1.00 0.86 C ATOM 111 CD1 PHE A 3 -1.694 3.128 -8.856 1.00 0.90 C ATOM 112 CD2 PHE A 3 -1.249 2.969 -11.192 1.00 0.97 C ATOM 113 CE1 PHE A 3 -2.013 1.788 -8.821 1.00 0.97 C ATOM 114 CE2 PHE A 3 -1.567 1.625 -11.162 1.00 0.99 C ATOM 115 CZ PHE A 3 -1.948 1.036 -9.975 1.00 0.96 C ATOM 0 HA PHE A 3 -2.869 5.612 -9.194 1.00 0.89 H new ATOM 0 HB2 PHE A 3 -0.485 5.432 -11.014 1.00 0.94 H new ATOM 0 HB3 PHE A 3 -0.223 5.394 -9.281 1.00 0.94 H new ATOM 0 HD1 PHE A 3 -1.746 3.712 -7.949 1.00 0.90 H new ATOM 0 HD2 PHE A 3 -0.951 3.427 -12.124 1.00 0.97 H new ATOM 0 HE1 PHE A 3 -2.313 1.328 -7.891 1.00 0.97 H new ATOM 0 HE2 PHE A 3 -1.517 1.037 -12.066 1.00 0.99 H new ATOM 0 HZ PHE A 3 -2.196 -0.015 -9.949 1.00 0.96 H new ATOM 125 N THR A 4 -2.596 7.961 -8.386 1.00 0.74 N ATOM 126 CA THR A 4 -2.299 9.148 -7.612 1.00 0.76 C ATOM 127 C THR A 4 -2.783 8.946 -6.185 1.00 0.71 C ATOM 128 O THR A 4 -3.770 8.255 -5.951 1.00 0.76 O ATOM 129 CB THR A 4 -2.951 10.406 -8.229 1.00 0.77 C ATOM 130 OG1 THR A 4 -4.296 10.134 -8.643 1.00 0.68 O ATOM 131 CG2 THR A 4 -2.150 10.906 -9.416 1.00 0.96 C ATOM 0 H THR A 4 -3.535 7.592 -8.233 1.00 0.74 H new ATOM 0 HA THR A 4 -1.221 9.306 -7.617 1.00 0.76 H new ATOM 0 HB THR A 4 -2.964 11.178 -7.459 1.00 0.77 H new ATOM 0 HG1 THR A 4 -4.690 10.944 -9.029 1.00 0.68 H new ATOM 0 HG21 THR A 4 -2.630 11.792 -9.832 1.00 0.96 H new ATOM 0 HG22 THR A 4 -1.140 11.159 -9.093 1.00 0.96 H new ATOM 0 HG23 THR A 4 -2.103 10.127 -10.177 1.00 0.96 H new ATOM 139 N LEU A 5 -2.063 9.529 -5.239 1.00 0.74 N ATOM 140 CA LEU A 5 -2.305 9.298 -3.820 1.00 0.77 C ATOM 141 C LEU A 5 -3.664 9.843 -3.377 1.00 0.67 C ATOM 142 O LEU A 5 -4.269 9.326 -2.439 1.00 0.73 O ATOM 143 CB LEU A 5 -1.184 9.955 -3.001 1.00 0.91 C ATOM 144 CG LEU A 5 -0.643 9.147 -1.809 1.00 1.02 C ATOM 145 CD1 LEU A 5 -1.717 8.920 -0.755 1.00 1.67 C ATOM 146 CD2 LEU A 5 -0.067 7.818 -2.280 1.00 1.67 C ATOM 0 H LEU A 5 -1.296 10.174 -5.431 1.00 0.74 H new ATOM 0 HA LEU A 5 -2.314 8.222 -3.648 1.00 0.77 H new ATOM 0 HB2 LEU A 5 -0.353 10.172 -3.672 1.00 0.91 H new ATOM 0 HB3 LEU A 5 -1.550 10.911 -2.627 1.00 0.91 H new ATOM 0 HG LEU A 5 0.155 9.730 -1.349 1.00 1.02 H new ATOM 0 HD11 LEU A 5 -1.299 8.346 0.072 1.00 1.67 H new ATOM 0 HD12 LEU A 5 -2.074 9.882 -0.386 1.00 1.67 H new ATOM 0 HD13 LEU A 5 -2.548 8.370 -1.195 1.00 1.67 H new ATOM 0 HD21 LEU A 5 0.311 7.261 -1.423 1.00 1.67 H new ATOM 0 HD22 LEU A 5 -0.846 7.238 -2.775 1.00 1.67 H new ATOM 0 HD23 LEU A 5 0.748 8.002 -2.980 1.00 1.67 H new ATOM 158 N GLU A 6 -4.149 10.868 -4.076 1.00 0.60 N ATOM 159 CA GLU A 6 -5.538 11.308 -3.921 1.00 0.58 C ATOM 160 C GLU A 6 -6.472 10.144 -4.266 1.00 0.59 C ATOM 161 O GLU A 6 -7.435 9.919 -3.535 1.00 0.61 O ATOM 162 CB GLU A 6 -5.815 12.519 -4.819 1.00 0.62 C ATOM 163 CG GLU A 6 -4.891 13.693 -4.539 1.00 0.87 C ATOM 164 CD GLU A 6 -5.146 14.883 -5.436 1.00 1.35 C ATOM 165 OE1 GLU A 6 -6.182 15.552 -5.258 1.00 1.68 O ATOM 166 OE2 GLU A 6 -4.328 15.147 -6.339 1.00 1.80 O ATOM 0 H GLU A 6 -3.607 11.407 -4.751 1.00 0.60 H new ATOM 0 HA GLU A 6 -5.715 11.612 -2.889 1.00 0.58 H new ATOM 0 HB2 GLU A 6 -5.709 12.222 -5.862 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -6.848 12.837 -4.681 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -5.009 13.999 -3.499 1.00 0.87 H new ATOM 0 HG3 GLU A 6 -3.857 13.370 -4.661 1.00 0.87 H new ATOM 173 N SER A 7 -6.219 9.406 -5.343 1.00 0.59 N ATOM 174 CA SER A 7 -7.134 8.357 -5.804 1.00 0.63 C ATOM 175 C SER A 7 -7.488 7.326 -4.727 1.00 0.62 C ATOM 176 O SER A 7 -8.524 6.669 -4.830 1.00 0.78 O ATOM 177 CB SER A 7 -6.540 7.634 -7.012 1.00 0.67 C ATOM 178 OG SER A 7 -6.299 8.537 -8.073 1.00 1.14 O ATOM 0 H SER A 7 -5.384 9.513 -5.918 1.00 0.59 H new ATOM 0 HA SER A 7 -8.059 8.867 -6.072 1.00 0.63 H new ATOM 0 HB2 SER A 7 -5.608 7.145 -6.726 1.00 0.67 H new ATOM 0 HB3 SER A 7 -7.222 6.851 -7.344 1.00 0.67 H new ATOM 0 HG SER A 7 -5.376 8.862 -8.023 1.00 1.14 H new ATOM 184 N SER A 8 -6.665 7.181 -3.697 1.00 0.53 N ATOM 185 CA SER A 8 -6.895 6.152 -2.696 1.00 0.52 C ATOM 186 C SER A 8 -7.579 6.654 -1.424 1.00 0.48 C ATOM 187 O SER A 8 -8.021 5.848 -0.611 1.00 0.48 O ATOM 188 CB SER A 8 -5.594 5.438 -2.352 1.00 0.57 C ATOM 189 OG SER A 8 -4.586 6.362 -1.965 1.00 1.02 O ATOM 0 H SER A 8 -5.840 7.758 -3.535 1.00 0.53 H new ATOM 0 HA SER A 8 -7.593 5.451 -3.152 1.00 0.52 H new ATOM 0 HB2 SER A 8 -5.769 4.728 -1.544 1.00 0.57 H new ATOM 0 HB3 SER A 8 -5.253 4.864 -3.213 1.00 0.57 H new ATOM 0 HG SER A 8 -3.735 6.112 -2.383 1.00 1.02 H new ATOM 195 N LEU A 9 -7.622 7.971 -1.222 1.00 0.47 N ATOM 196 CA LEU A 9 -7.856 8.536 0.107 1.00 0.46 C ATOM 197 C LEU A 9 -9.160 8.136 0.792 1.00 0.46 C ATOM 198 O LEU A 9 -9.263 8.119 2.015 1.00 0.42 O ATOM 199 CB LEU A 9 -7.729 10.037 0.044 1.00 0.49 C ATOM 200 CG LEU A 9 -6.365 10.517 -0.420 1.00 0.49 C ATOM 201 CD1 LEU A 9 -6.430 11.987 -0.739 1.00 1.04 C ATOM 202 CD2 LEU A 9 -5.301 10.221 0.629 1.00 0.78 C ATOM 0 H LEU A 9 -7.498 8.665 -1.959 1.00 0.47 H new ATOM 0 HA LEU A 9 -7.085 8.097 0.741 1.00 0.46 H new ATOM 0 HB2 LEU A 9 -8.491 10.429 -0.630 1.00 0.49 H new ATOM 0 HB3 LEU A 9 -7.933 10.451 1.031 1.00 0.49 H new ATOM 0 HG LEU A 9 -6.084 9.978 -1.325 1.00 0.49 H new ATOM 0 HD11 LEU A 9 -5.451 12.331 -1.072 1.00 1.04 H new ATOM 0 HD12 LEU A 9 -7.162 12.156 -1.529 1.00 1.04 H new ATOM 0 HD13 LEU A 9 -6.725 12.540 0.153 1.00 1.04 H new ATOM 0 HD21 LEU A 9 -4.332 10.574 0.274 1.00 0.78 H new ATOM 0 HD22 LEU A 9 -5.555 10.731 1.559 1.00 0.78 H new ATOM 0 HD23 LEU A 9 -5.253 9.146 0.806 1.00 0.78 H new ATOM 214 N ASP A 10 -10.151 7.830 -0.030 1.00 0.51 N ATOM 215 CA ASP A 10 -11.434 7.359 0.480 1.00 0.53 C ATOM 216 C ASP A 10 -11.613 5.876 0.236 1.00 0.54 C ATOM 217 O ASP A 10 -12.659 5.305 0.548 1.00 0.57 O ATOM 218 CB ASP A 10 -12.587 8.136 -0.158 1.00 0.57 C ATOM 219 CG ASP A 10 -12.726 9.527 0.425 1.00 0.78 C ATOM 220 OD1 ASP A 10 -13.279 9.663 1.536 1.00 0.77 O ATOM 221 OD2 ASP A 10 -12.292 10.498 -0.233 1.00 1.32 O ATOM 0 H ASP A 10 -10.095 7.898 -1.046 1.00 0.51 H new ATOM 0 HA ASP A 10 -11.443 7.532 1.556 1.00 0.53 H new ATOM 0 HB2 ASP A 10 -12.424 8.208 -1.233 1.00 0.57 H new ATOM 0 HB3 ASP A 10 -13.518 7.588 -0.013 1.00 0.57 H new ATOM 226 N THR A 11 -10.591 5.252 -0.320 1.00 0.54 N ATOM 227 CA THR A 11 -10.638 3.837 -0.605 1.00 0.56 C ATOM 228 C THR A 11 -9.480 3.087 0.054 1.00 0.53 C ATOM 229 O THR A 11 -9.520 2.766 1.237 1.00 0.53 O ATOM 230 CB THR A 11 -10.640 3.558 -2.124 1.00 0.62 C ATOM 231 OG1 THR A 11 -9.580 4.285 -2.761 1.00 0.59 O ATOM 232 CG2 THR A 11 -11.972 3.937 -2.753 1.00 0.69 C ATOM 0 H THR A 11 -9.717 5.708 -0.583 1.00 0.54 H new ATOM 0 HA THR A 11 -11.574 3.471 -0.183 1.00 0.56 H new ATOM 0 HB THR A 11 -10.485 2.489 -2.268 1.00 0.62 H new ATOM 0 HG1 THR A 11 -9.589 4.100 -3.723 1.00 0.59 H new ATOM 0 HG21 THR A 11 -11.942 3.729 -3.823 1.00 0.69 H new ATOM 0 HG22 THR A 11 -12.770 3.355 -2.293 1.00 0.69 H new ATOM 0 HG23 THR A 11 -12.160 4.999 -2.595 1.00 0.69 H new ATOM 240 N HIS A 12 -8.442 2.827 -0.737 1.00 0.51 N ATOM 241 CA HIS A 12 -7.288 2.071 -0.258 1.00 0.49 C ATOM 242 C HIS A 12 -6.616 2.765 0.933 1.00 0.43 C ATOM 243 O HIS A 12 -6.240 2.109 1.900 1.00 0.43 O ATOM 244 CB HIS A 12 -6.279 1.823 -1.385 1.00 0.49 C ATOM 245 CG HIS A 12 -6.898 1.295 -2.648 1.00 0.57 C ATOM 246 ND1 HIS A 12 -7.567 0.093 -2.717 1.00 1.50 N ATOM 247 CD2 HIS A 12 -6.958 1.830 -3.890 1.00 0.90 C ATOM 248 CE1 HIS A 12 -8.009 -0.089 -3.949 1.00 1.34 C ATOM 249 NE2 HIS A 12 -7.654 0.951 -4.679 1.00 0.66 N ATOM 0 H HIS A 12 -8.376 3.128 -1.709 1.00 0.51 H new ATOM 0 HA HIS A 12 -7.655 1.103 0.085 1.00 0.49 H new ATOM 0 HB2 HIS A 12 -5.761 2.756 -1.608 1.00 0.49 H new ATOM 0 HB3 HIS A 12 -5.526 1.116 -1.037 1.00 0.49 H new ATOM 0 HD2 HIS A 12 -6.536 2.774 -4.202 1.00 0.90 H new ATOM 0 HE1 HIS A 12 -8.567 -0.945 -4.299 1.00 1.34 H new ATOM 0 HE2 HIS A 12 -7.863 1.080 -5.669 1.00 0.66 H new ATOM 258 N LEU A 13 -6.462 4.078 0.869 1.00 0.40 N ATOM 259 CA LEU A 13 -5.673 4.787 1.872 1.00 0.36 C ATOM 260 C LEU A 13 -6.541 5.585 2.842 1.00 0.34 C ATOM 261 O LEU A 13 -6.105 6.563 3.450 1.00 0.32 O ATOM 262 CB LEU A 13 -4.650 5.711 1.199 1.00 0.34 C ATOM 263 CG LEU A 13 -3.283 5.072 0.892 1.00 0.38 C ATOM 264 CD1 LEU A 13 -2.660 4.504 2.155 1.00 1.13 C ATOM 265 CD2 LEU A 13 -3.400 3.984 -0.164 1.00 0.84 C ATOM 0 H LEU A 13 -6.866 4.671 0.144 1.00 0.40 H new ATOM 0 HA LEU A 13 -5.149 4.029 2.454 1.00 0.36 H new ATOM 0 HB2 LEU A 13 -5.077 6.080 0.266 1.00 0.34 H new ATOM 0 HB3 LEU A 13 -4.491 6.577 1.841 1.00 0.34 H new ATOM 0 HG LEU A 13 -2.637 5.858 0.500 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -1.695 4.057 1.916 1.00 1.13 H new ATOM 0 HD12 LEU A 13 -2.519 5.303 2.883 1.00 1.13 H new ATOM 0 HD13 LEU A 13 -3.318 3.743 2.575 1.00 1.13 H new ATOM 0 HD21 LEU A 13 -2.416 3.555 -0.355 1.00 0.84 H new ATOM 0 HD22 LEU A 13 -4.073 3.204 0.191 1.00 0.84 H new ATOM 0 HD23 LEU A 13 -3.795 4.412 -1.085 1.00 0.84 H new ATOM 277 N LYS A 14 -7.783 5.127 2.976 1.00 0.38 N ATOM 278 CA LYS A 14 -8.797 5.813 3.769 1.00 0.38 C ATOM 279 C LYS A 14 -8.484 5.764 5.261 1.00 0.35 C ATOM 280 O LYS A 14 -8.968 6.586 6.036 1.00 0.36 O ATOM 281 CB LYS A 14 -10.169 5.193 3.494 1.00 0.45 C ATOM 282 CG LYS A 14 -10.346 3.797 4.079 1.00 0.64 C ATOM 283 CD LYS A 14 -11.583 3.103 3.527 1.00 0.67 C ATOM 284 CE LYS A 14 -12.835 3.945 3.702 1.00 1.26 C ATOM 285 NZ LYS A 14 -14.039 3.252 3.185 1.00 1.69 N ATOM 0 H LYS A 14 -8.114 4.268 2.537 1.00 0.38 H new ATOM 0 HA LYS A 14 -8.802 6.862 3.474 1.00 0.38 H new ATOM 0 HB2 LYS A 14 -10.940 5.847 3.901 1.00 0.45 H new ATOM 0 HB3 LYS A 14 -10.326 5.147 2.416 1.00 0.45 H new ATOM 0 HG2 LYS A 14 -9.464 3.196 3.858 1.00 0.64 H new ATOM 0 HG3 LYS A 14 -10.422 3.865 5.164 1.00 0.64 H new ATOM 0 HD2 LYS A 14 -11.436 2.888 2.469 1.00 0.67 H new ATOM 0 HD3 LYS A 14 -11.717 2.146 4.031 1.00 0.67 H new ATOM 0 HE2 LYS A 14 -12.974 4.176 4.758 1.00 1.26 H new ATOM 0 HE3 LYS A 14 -12.710 4.895 3.182 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 -14.874 3.857 3.322 1.00 1.69 H new ATOM 0 HZ2 LYS A 14 -13.917 3.054 2.171 1.00 1.69 H new ATOM 0 HZ3 LYS A 14 -14.172 2.358 3.699 1.00 1.69 H new ATOM 299 N TRP A 15 -7.664 4.795 5.645 1.00 0.34 N ATOM 300 CA TRP A 15 -7.308 4.582 7.044 1.00 0.33 C ATOM 301 C TRP A 15 -6.295 5.620 7.524 1.00 0.29 C ATOM 302 O TRP A 15 -5.948 5.656 8.704 1.00 0.29 O ATOM 303 CB TRP A 15 -6.726 3.181 7.221 1.00 0.35 C ATOM 304 CG TRP A 15 -5.586 2.907 6.291 1.00 0.33 C ATOM 305 CD1 TRP A 15 -5.677 2.435 5.016 1.00 0.34 C ATOM 306 CD2 TRP A 15 -4.190 3.094 6.551 1.00 0.30 C ATOM 307 NE1 TRP A 15 -4.429 2.322 4.464 1.00 0.33 N ATOM 308 CE2 TRP A 15 -3.496 2.717 5.388 1.00 0.30 C ATOM 309 CE3 TRP A 15 -3.459 3.543 7.655 1.00 0.30 C ATOM 310 CZ2 TRP A 15 -2.108 2.775 5.295 1.00 0.30 C ATOM 311 CZ3 TRP A 15 -2.081 3.602 7.562 1.00 0.30 C ATOM 312 CH2 TRP A 15 -1.418 3.219 6.389 1.00 0.30 C ATOM 0 H TRP A 15 -7.228 4.136 5.000 1.00 0.34 H new ATOM 0 HA TRP A 15 -8.213 4.686 7.642 1.00 0.33 H new ATOM 0 HB2 TRP A 15 -6.387 3.060 8.250 1.00 0.35 H new ATOM 0 HB3 TRP A 15 -7.510 2.443 7.055 1.00 0.35 H new ATOM 0 HD1 TRP A 15 -6.600 2.186 4.513 1.00 0.34 H new ATOM 0 HE1 TRP A 15 -4.226 1.997 3.519 1.00 0.33 H new ATOM 0 HE3 TRP A 15 -3.962 3.838 8.564 1.00 0.30 H new ATOM 0 HZ2 TRP A 15 -1.595 2.480 4.392 1.00 0.30 H new ATOM 0 HZ3 TRP A 15 -1.506 3.949 8.408 1.00 0.30 H new ATOM 0 HH2 TRP A 15 -0.340 3.275 6.348 1.00 0.30 H new ATOM 323 N LEU A 16 -5.829 6.467 6.614 1.00 0.28 N ATOM 324 CA LEU A 16 -4.982 7.586 6.993 1.00 0.26 C ATOM 325 C LEU A 16 -5.847 8.689 7.606 1.00 0.27 C ATOM 326 O LEU A 16 -7.009 8.878 7.237 1.00 0.31 O ATOM 327 CB LEU A 16 -4.220 8.135 5.774 1.00 0.25 C ATOM 328 CG LEU A 16 -3.191 7.193 5.128 1.00 0.26 C ATOM 329 CD1 LEU A 16 -2.718 7.761 3.799 1.00 0.26 C ATOM 330 CD2 LEU A 16 -1.989 6.978 6.037 1.00 0.30 C ATOM 0 H LEU A 16 -6.023 6.399 5.615 1.00 0.28 H new ATOM 0 HA LEU A 16 -4.251 7.241 7.724 1.00 0.26 H new ATOM 0 HB2 LEU A 16 -4.949 8.417 5.014 1.00 0.25 H new ATOM 0 HB3 LEU A 16 -3.705 9.047 6.076 1.00 0.25 H new ATOM 0 HG LEU A 16 -3.681 6.233 4.965 1.00 0.26 H new ATOM 0 HD11 LEU A 16 -1.990 7.084 3.353 1.00 0.26 H new ATOM 0 HD12 LEU A 16 -3.569 7.873 3.127 1.00 0.26 H new ATOM 0 HD13 LEU A 16 -2.256 8.734 3.963 1.00 0.26 H new ATOM 0 HD21 LEU A 16 -1.281 6.307 5.551 1.00 0.30 H new ATOM 0 HD22 LEU A 16 -1.506 7.935 6.234 1.00 0.30 H new ATOM 0 HD23 LEU A 16 -2.319 6.537 6.978 1.00 0.30 H new ATOM 342 N SER A 17 -5.250 9.398 8.547 1.00 0.27 N ATOM 343 CA SER A 17 -5.920 10.532 9.172 1.00 0.30 C ATOM 344 C SER A 17 -5.861 11.728 8.233 1.00 0.33 C ATOM 345 O SER A 17 -5.046 11.733 7.314 1.00 0.34 O ATOM 346 CB SER A 17 -5.270 10.866 10.520 1.00 0.31 C ATOM 347 OG SER A 17 -5.920 11.950 11.165 1.00 1.24 O ATOM 0 H SER A 17 -4.309 9.213 8.896 1.00 0.27 H new ATOM 0 HA SER A 17 -6.963 10.277 9.360 1.00 0.30 H new ATOM 0 HB2 SER A 17 -5.300 9.988 11.165 1.00 0.31 H new ATOM 0 HB3 SER A 17 -4.219 11.112 10.366 1.00 0.31 H new ATOM 0 HG SER A 17 -5.480 12.133 12.021 1.00 1.24 H new ATOM 353 N GLN A 18 -6.719 12.725 8.432 1.00 0.36 N ATOM 354 CA GLN A 18 -6.708 13.906 7.572 1.00 0.41 C ATOM 355 C GLN A 18 -5.313 14.514 7.547 1.00 0.41 C ATOM 356 O GLN A 18 -4.774 14.801 6.478 1.00 0.42 O ATOM 357 CB GLN A 18 -7.736 14.942 8.034 1.00 0.47 C ATOM 358 CG GLN A 18 -9.179 14.548 7.762 1.00 1.19 C ATOM 359 CD GLN A 18 -9.483 14.461 6.281 1.00 1.41 C ATOM 360 OE1 GLN A 18 -9.865 15.450 5.653 1.00 1.90 O ATOM 361 NE2 GLN A 18 -9.319 13.280 5.711 1.00 1.91 N ATOM 0 H GLN A 18 -7.422 12.741 9.171 1.00 0.36 H new ATOM 0 HA GLN A 18 -6.982 13.597 6.563 1.00 0.41 H new ATOM 0 HB2 GLN A 18 -7.612 15.109 9.104 1.00 0.47 H new ATOM 0 HB3 GLN A 18 -7.529 15.890 7.537 1.00 0.47 H new ATOM 0 HG2 GLN A 18 -9.384 13.585 8.230 1.00 1.19 H new ATOM 0 HG3 GLN A 18 -9.845 15.276 8.225 1.00 1.19 H new ATOM 0 HE21 GLN A 18 -9.001 12.486 6.266 1.00 1.91 H new ATOM 0 HE22 GLN A 18 -9.510 13.163 4.716 1.00 1.91 H new ATOM 370 N GLU A 19 -4.736 14.684 8.729 1.00 0.41 N ATOM 371 CA GLU A 19 -3.408 15.227 8.859 1.00 0.42 C ATOM 372 C GLU A 19 -2.401 14.390 8.068 1.00 0.40 C ATOM 373 O GLU A 19 -1.483 14.931 7.458 1.00 0.42 O ATOM 374 CB GLU A 19 -3.029 15.265 10.332 1.00 0.41 C ATOM 375 CG GLU A 19 -4.054 15.957 11.216 1.00 1.18 C ATOM 376 CD GLU A 19 -3.646 15.961 12.672 1.00 1.79 C ATOM 377 OE1 GLU A 19 -3.878 14.947 13.360 1.00 2.49 O ATOM 378 OE2 GLU A 19 -3.094 16.976 13.138 1.00 2.01 O ATOM 0 H GLU A 19 -5.181 14.448 9.616 1.00 0.41 H new ATOM 0 HA GLU A 19 -3.392 16.238 8.453 1.00 0.42 H new ATOM 0 HB2 GLU A 19 -2.888 14.244 10.687 1.00 0.41 H new ATOM 0 HB3 GLU A 19 -2.071 15.774 10.437 1.00 0.41 H new ATOM 0 HG2 GLU A 19 -4.190 16.984 10.876 1.00 1.18 H new ATOM 0 HG3 GLU A 19 -5.017 15.457 11.112 1.00 1.18 H new ATOM 385 N GLN A 20 -2.590 13.071 8.064 1.00 0.37 N ATOM 386 CA GLN A 20 -1.705 12.181 7.321 1.00 0.36 C ATOM 387 C GLN A 20 -1.963 12.327 5.826 1.00 0.38 C ATOM 388 O GLN A 20 -1.029 12.473 5.053 1.00 0.41 O ATOM 389 CB GLN A 20 -1.906 10.726 7.757 1.00 0.33 C ATOM 390 CG GLN A 20 -1.670 10.493 9.243 1.00 0.37 C ATOM 391 CD GLN A 20 -1.959 9.063 9.661 1.00 0.77 C ATOM 392 OE1 GLN A 20 -3.088 8.719 9.997 1.00 1.57 O ATOM 393 NE2 GLN A 20 -0.942 8.226 9.655 1.00 1.04 N ATOM 0 H GLN A 20 -3.344 12.599 8.564 1.00 0.37 H new ATOM 0 HA GLN A 20 -0.673 12.458 7.534 1.00 0.36 H new ATOM 0 HB2 GLN A 20 -2.921 10.418 7.507 1.00 0.33 H new ATOM 0 HB3 GLN A 20 -1.230 10.089 7.187 1.00 0.33 H new ATOM 0 HG2 GLN A 20 -0.636 10.737 9.486 1.00 0.37 H new ATOM 0 HG3 GLN A 20 -2.301 11.171 9.818 1.00 0.37 H new ATOM 0 HE21 GLN A 20 -0.018 8.549 9.369 1.00 1.04 H new ATOM 0 HE22 GLN A 20 -1.079 7.255 9.936 1.00 1.04 H new ATOM 402 N LYS A 21 -3.223 12.298 5.418 1.00 0.38 N ATOM 403 CA LYS A 21 -3.573 12.447 4.006 1.00 0.42 C ATOM 404 C LYS A 21 -2.993 13.747 3.458 1.00 0.42 C ATOM 405 O LYS A 21 -2.369 13.768 2.400 1.00 0.43 O ATOM 406 CB LYS A 21 -5.091 12.432 3.823 1.00 0.47 C ATOM 407 CG LYS A 21 -5.740 11.109 4.194 1.00 0.56 C ATOM 408 CD LYS A 21 -7.248 11.162 4.010 1.00 0.54 C ATOM 409 CE LYS A 21 -7.893 9.812 4.265 1.00 0.57 C ATOM 410 NZ LYS A 21 -9.378 9.882 4.180 1.00 0.95 N ATOM 0 H LYS A 21 -4.021 12.173 6.040 1.00 0.38 H new ATOM 0 HA LYS A 21 -3.150 11.607 3.454 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -5.529 13.224 4.431 1.00 0.47 H new ATOM 0 HB3 LYS A 21 -5.325 12.662 2.783 1.00 0.47 H new ATOM 0 HG2 LYS A 21 -5.324 10.312 3.577 1.00 0.56 H new ATOM 0 HG3 LYS A 21 -5.506 10.865 5.230 1.00 0.56 H new ATOM 0 HD2 LYS A 21 -7.672 11.902 4.689 1.00 0.54 H new ATOM 0 HD3 LYS A 21 -7.480 11.490 2.997 1.00 0.54 H new ATOM 0 HE2 LYS A 21 -7.521 9.089 3.539 1.00 0.57 H new ATOM 0 HE3 LYS A 21 -7.602 9.451 5.252 1.00 0.57 H new ATOM 0 HZ1 LYS A 21 -9.793 9.563 5.079 1.00 0.95 H new ATOM 0 HZ2 LYS A 21 -9.669 10.863 3.994 1.00 0.95 H new ATOM 0 HZ3 LYS A 21 -9.711 9.270 3.408 1.00 0.95 H new ATOM 424 N ASP A 22 -3.182 14.815 4.216 1.00 0.44 N ATOM 425 CA ASP A 22 -2.643 16.126 3.875 1.00 0.46 C ATOM 426 C ASP A 22 -1.116 16.131 3.934 1.00 0.46 C ATOM 427 O ASP A 22 -0.476 16.851 3.168 1.00 0.48 O ATOM 428 CB ASP A 22 -3.179 17.165 4.864 1.00 0.49 C ATOM 429 CG ASP A 22 -2.756 18.577 4.513 1.00 0.58 C ATOM 430 OD1 ASP A 22 -3.319 19.151 3.560 1.00 0.67 O ATOM 431 OD2 ASP A 22 -1.857 19.122 5.189 1.00 0.64 O ATOM 0 H ASP A 22 -3.714 14.800 5.086 1.00 0.44 H new ATOM 0 HA ASP A 22 -2.953 16.367 2.858 1.00 0.46 H new ATOM 0 HB2 ASP A 22 -4.267 17.111 4.887 1.00 0.49 H new ATOM 0 HB3 ASP A 22 -2.826 16.923 5.866 1.00 0.49 H new ATOM 436 N GLU A 23 -0.525 15.334 4.813 1.00 0.44 N ATOM 437 CA GLU A 23 0.907 15.125 4.807 1.00 0.45 C ATOM 438 C GLU A 23 1.366 14.455 3.512 1.00 0.42 C ATOM 439 O GLU A 23 2.260 14.961 2.827 1.00 0.44 O ATOM 440 CB GLU A 23 1.306 14.265 5.999 1.00 0.47 C ATOM 441 CG GLU A 23 2.575 14.750 6.632 1.00 0.71 C ATOM 442 CD GLU A 23 3.052 13.890 7.783 1.00 0.97 C ATOM 443 OE1 GLU A 23 2.401 13.903 8.846 1.00 1.43 O ATOM 444 OE2 GLU A 23 4.067 13.180 7.624 1.00 1.40 O ATOM 0 H GLU A 23 -1.022 14.821 5.541 1.00 0.44 H new ATOM 0 HA GLU A 23 1.392 16.099 4.876 1.00 0.45 H new ATOM 0 HB2 GLU A 23 0.505 14.273 6.738 1.00 0.47 H new ATOM 0 HB3 GLU A 23 1.432 13.232 5.676 1.00 0.47 H new ATOM 0 HG2 GLU A 23 3.356 14.790 5.873 1.00 0.71 H new ATOM 0 HG3 GLU A 23 2.425 15.769 6.990 1.00 0.71 H new ATOM 451 N LEU A 24 0.764 13.322 3.177 1.00 0.40 N ATOM 452 CA LEU A 24 1.133 12.552 1.995 1.00 0.39 C ATOM 453 C LEU A 24 0.926 13.370 0.720 1.00 0.39 C ATOM 454 O LEU A 24 1.761 13.345 -0.184 1.00 0.41 O ATOM 455 CB LEU A 24 0.297 11.266 1.934 1.00 0.38 C ATOM 456 CG LEU A 24 0.716 10.120 2.878 1.00 0.50 C ATOM 457 CD1 LEU A 24 1.928 9.381 2.355 1.00 1.16 C ATOM 458 CD2 LEU A 24 1.008 10.605 4.284 1.00 1.33 C ATOM 0 H LEU A 24 0.004 12.909 3.718 1.00 0.40 H new ATOM 0 HA LEU A 24 2.190 12.297 2.066 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -0.740 11.524 2.151 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.324 10.891 0.911 1.00 0.38 H new ATOM 0 HG LEU A 24 -0.137 9.442 2.913 1.00 0.50 H new ATOM 0 HD11 LEU A 24 2.193 8.581 3.047 1.00 1.16 H new ATOM 0 HD12 LEU A 24 1.701 8.955 1.378 1.00 1.16 H new ATOM 0 HD13 LEU A 24 2.765 10.073 2.263 1.00 1.16 H new ATOM 0 HD21 LEU A 24 1.298 9.759 4.908 1.00 1.33 H new ATOM 0 HD22 LEU A 24 1.820 11.332 4.257 1.00 1.33 H new ATOM 0 HD23 LEU A 24 0.116 11.073 4.700 1.00 1.33 H new ATOM 470 N LEU A 25 -0.188 14.097 0.657 1.00 0.40 N ATOM 471 CA LEU A 25 -0.484 14.943 -0.490 1.00 0.43 C ATOM 472 C LEU A 25 0.555 16.048 -0.627 1.00 0.46 C ATOM 473 O LEU A 25 0.942 16.411 -1.738 1.00 0.48 O ATOM 474 CB LEU A 25 -1.883 15.542 -0.370 1.00 0.45 C ATOM 475 CG LEU A 25 -3.029 14.531 -0.443 1.00 0.49 C ATOM 476 CD1 LEU A 25 -4.372 15.243 -0.418 1.00 1.02 C ATOM 477 CD2 LEU A 25 -2.900 13.667 -1.687 1.00 1.06 C ATOM 0 H LEU A 25 -0.899 14.115 1.389 1.00 0.40 H new ATOM 0 HA LEU A 25 -0.448 14.324 -1.386 1.00 0.43 H new ATOM 0 HB2 LEU A 25 -1.952 16.079 0.576 1.00 0.45 H new ATOM 0 HB3 LEU A 25 -2.016 16.277 -1.164 1.00 0.45 H new ATOM 0 HG LEU A 25 -2.972 13.882 0.431 1.00 0.49 H new ATOM 0 HD11 LEU A 25 -5.175 14.508 -0.471 1.00 1.02 H new ATOM 0 HD12 LEU A 25 -4.464 15.815 0.506 1.00 1.02 H new ATOM 0 HD13 LEU A 25 -4.442 15.918 -1.271 1.00 1.02 H new ATOM 0 HD21 LEU A 25 -3.724 12.954 -1.722 1.00 1.06 H new ATOM 0 HD22 LEU A 25 -2.930 14.300 -2.574 1.00 1.06 H new ATOM 0 HD23 LEU A 25 -1.954 13.127 -1.658 1.00 1.06 H new ATOM 489 N LYS A 26 1.015 16.558 0.506 1.00 0.47 N ATOM 490 CA LYS A 26 2.033 17.595 0.528 1.00 0.51 C ATOM 491 C LYS A 26 3.323 17.083 -0.091 1.00 0.49 C ATOM 492 O LYS A 26 3.954 17.771 -0.892 1.00 0.51 O ATOM 493 CB LYS A 26 2.288 18.052 1.969 1.00 0.56 C ATOM 494 CG LYS A 26 3.343 19.144 2.106 1.00 0.93 C ATOM 495 CD LYS A 26 2.883 20.459 1.497 1.00 1.62 C ATOM 496 CE LYS A 26 3.943 21.541 1.647 1.00 2.50 C ATOM 497 NZ LYS A 26 3.518 22.831 1.044 1.00 3.24 N ATOM 0 H LYS A 26 0.695 16.266 1.430 1.00 0.47 H new ATOM 0 HA LYS A 26 1.678 18.444 -0.056 1.00 0.51 H new ATOM 0 HB2 LYS A 26 1.351 18.413 2.394 1.00 0.56 H new ATOM 0 HB3 LYS A 26 2.595 17.190 2.562 1.00 0.56 H new ATOM 0 HG2 LYS A 26 3.575 19.294 3.160 1.00 0.93 H new ATOM 0 HG3 LYS A 26 4.264 18.822 1.620 1.00 0.93 H new ATOM 0 HD2 LYS A 26 2.657 20.313 0.441 1.00 1.62 H new ATOM 0 HD3 LYS A 26 1.960 20.782 1.979 1.00 1.62 H new ATOM 0 HE2 LYS A 26 4.160 21.690 2.705 1.00 2.50 H new ATOM 0 HE3 LYS A 26 4.868 21.209 1.176 1.00 2.50 H new ATOM 0 HZ1 LYS A 26 4.271 23.538 1.170 1.00 3.24 H new ATOM 0 HZ2 LYS A 26 3.336 22.696 0.029 1.00 3.24 H new ATOM 0 HZ3 LYS A 26 2.650 23.163 1.511 1.00 3.24 H new ATOM 511 N MET A 27 3.692 15.861 0.264 1.00 0.47 N ATOM 512 CA MET A 27 4.872 15.231 -0.310 1.00 0.47 C ATOM 513 C MET A 27 4.730 15.013 -1.813 1.00 0.47 C ATOM 514 O MET A 27 5.573 15.464 -2.592 1.00 0.49 O ATOM 515 CB MET A 27 5.177 13.895 0.376 1.00 0.49 C ATOM 516 CG MET A 27 5.366 13.996 1.881 1.00 0.50 C ATOM 517 SD MET A 27 6.532 12.774 2.521 1.00 0.92 S ATOM 518 CE MET A 27 5.855 11.258 1.854 1.00 0.79 C ATOM 0 H MET A 27 3.193 15.288 0.944 1.00 0.47 H new ATOM 0 HA MET A 27 5.702 15.917 -0.141 1.00 0.47 H new ATOM 0 HB2 MET A 27 4.364 13.199 0.169 1.00 0.49 H new ATOM 0 HB3 MET A 27 6.079 13.471 -0.065 1.00 0.49 H new ATOM 0 HG2 MET A 27 5.720 14.996 2.132 1.00 0.50 H new ATOM 0 HG3 MET A 27 4.402 13.866 2.374 1.00 0.50 H new ATOM 0 HE1 MET A 27 6.142 10.421 2.490 1.00 0.79 H new ATOM 0 HE2 MET A 27 4.768 11.330 1.817 1.00 0.79 H new ATOM 0 HE3 MET A 27 6.242 11.098 0.848 1.00 0.79 H new ATOM 528 N LYS A 28 3.654 14.347 -2.230 1.00 0.45 N ATOM 529 CA LYS A 28 3.435 14.021 -3.638 1.00 0.49 C ATOM 530 C LYS A 28 3.404 15.280 -4.508 1.00 0.54 C ATOM 531 O LYS A 28 3.943 15.302 -5.615 1.00 0.58 O ATOM 532 CB LYS A 28 2.113 13.257 -3.773 1.00 0.50 C ATOM 533 CG LYS A 28 1.746 12.872 -5.198 1.00 0.79 C ATOM 534 CD LYS A 28 2.749 11.904 -5.803 1.00 1.41 C ATOM 535 CE LYS A 28 2.349 11.516 -7.217 1.00 1.82 C ATOM 536 NZ LYS A 28 3.328 10.588 -7.842 1.00 2.44 N ATOM 0 H LYS A 28 2.915 14.021 -1.607 1.00 0.45 H new ATOM 0 HA LYS A 28 4.263 13.403 -3.985 1.00 0.49 H new ATOM 0 HB2 LYS A 28 2.169 12.351 -3.169 1.00 0.50 H new ATOM 0 HB3 LYS A 28 1.311 13.868 -3.358 1.00 0.50 H new ATOM 0 HG2 LYS A 28 0.754 12.419 -5.207 1.00 0.79 H new ATOM 0 HG3 LYS A 28 1.692 13.770 -5.814 1.00 0.79 H new ATOM 0 HD2 LYS A 28 3.739 12.360 -5.814 1.00 1.41 H new ATOM 0 HD3 LYS A 28 2.817 11.010 -5.183 1.00 1.41 H new ATOM 0 HE2 LYS A 28 1.366 11.046 -7.199 1.00 1.82 H new ATOM 0 HE3 LYS A 28 2.261 12.415 -7.828 1.00 1.82 H new ATOM 0 HZ1 LYS A 28 3.015 10.350 -8.805 1.00 2.44 H new ATOM 0 HZ2 LYS A 28 4.261 11.045 -7.884 1.00 2.44 H new ATOM 0 HZ3 LYS A 28 3.393 9.719 -7.275 1.00 2.44 H new ATOM 550 N LYS A 29 2.775 16.323 -3.993 1.00 0.55 N ATOM 551 CA LYS A 29 2.651 17.570 -4.739 1.00 0.62 C ATOM 552 C LYS A 29 3.909 18.428 -4.677 1.00 0.64 C ATOM 553 O LYS A 29 4.119 19.282 -5.541 1.00 0.72 O ATOM 554 CB LYS A 29 1.428 18.343 -4.252 1.00 0.62 C ATOM 555 CG LYS A 29 0.134 17.588 -4.501 1.00 1.13 C ATOM 556 CD LYS A 29 -1.071 18.289 -3.904 1.00 1.57 C ATOM 557 CE LYS A 29 -2.320 17.433 -4.045 1.00 2.08 C ATOM 558 NZ LYS A 29 -2.626 17.128 -5.468 1.00 2.69 N ATOM 0 H LYS A 29 2.344 16.335 -3.069 1.00 0.55 H new ATOM 0 HA LYS A 29 2.519 17.312 -5.790 1.00 0.62 H new ATOM 0 HB2 LYS A 29 1.529 18.545 -3.186 1.00 0.62 H new ATOM 0 HB3 LYS A 29 1.386 19.308 -4.757 1.00 0.62 H new ATOM 0 HG2 LYS A 29 -0.013 17.470 -5.575 1.00 1.13 H new ATOM 0 HG3 LYS A 29 0.214 16.587 -4.078 1.00 1.13 H new ATOM 0 HD2 LYS A 29 -0.888 18.502 -2.851 1.00 1.57 H new ATOM 0 HD3 LYS A 29 -1.223 19.247 -4.401 1.00 1.57 H new ATOM 0 HE2 LYS A 29 -2.186 16.502 -3.495 1.00 2.08 H new ATOM 0 HE3 LYS A 29 -3.167 17.950 -3.594 1.00 2.08 H new ATOM 0 HZ1 LYS A 29 -3.553 16.661 -5.531 1.00 2.69 H new ATOM 0 HZ2 LYS A 29 -2.646 18.012 -6.016 1.00 2.69 H new ATOM 0 HZ3 LYS A 29 -1.894 16.498 -5.853 1.00 2.69 H new ATOM 572 N ASP A 30 4.760 18.199 -3.688 1.00 0.62 N ATOM 573 CA ASP A 30 6.002 18.966 -3.584 1.00 0.66 C ATOM 574 C ASP A 30 7.106 18.298 -4.402 1.00 0.65 C ATOM 575 O ASP A 30 8.251 18.746 -4.445 1.00 0.69 O ATOM 576 CB ASP A 30 6.433 19.120 -2.121 1.00 0.67 C ATOM 577 CG ASP A 30 7.589 20.091 -1.947 1.00 1.33 C ATOM 578 OD1 ASP A 30 7.358 21.316 -2.032 1.00 1.32 O ATOM 579 OD2 ASP A 30 8.730 19.636 -1.720 1.00 2.14 O ATOM 0 H ASP A 30 4.622 17.502 -2.956 1.00 0.62 H new ATOM 0 HA ASP A 30 5.822 19.963 -3.987 1.00 0.66 H new ATOM 0 HB2 ASP A 30 5.584 19.464 -1.531 1.00 0.67 H new ATOM 0 HB3 ASP A 30 6.721 18.145 -1.727 1.00 0.67 H new ATOM 584 N GLY A 31 6.718 17.217 -5.065 1.00 0.62 N ATOM 585 CA GLY A 31 7.607 16.566 -5.996 1.00 0.62 C ATOM 586 C GLY A 31 8.429 15.488 -5.346 1.00 0.61 C ATOM 587 O GLY A 31 9.508 15.146 -5.829 1.00 0.63 O ATOM 0 H GLY A 31 5.800 16.781 -4.972 1.00 0.62 H new ATOM 0 HA2 GLY A 31 7.024 16.134 -6.809 1.00 0.62 H new ATOM 0 HA3 GLY A 31 8.271 17.308 -6.439 1.00 0.62 H new ATOM 591 N LYS A 32 7.936 14.966 -4.233 1.00 0.59 N ATOM 592 CA LYS A 32 8.565 13.825 -3.611 1.00 0.58 C ATOM 593 C LYS A 32 8.324 12.601 -4.472 1.00 0.56 C ATOM 594 O LYS A 32 7.303 12.499 -5.158 1.00 0.55 O ATOM 595 CB LYS A 32 8.040 13.601 -2.190 1.00 0.57 C ATOM 596 CG LYS A 32 8.326 14.756 -1.238 1.00 0.63 C ATOM 597 CD LYS A 32 9.808 15.080 -1.174 1.00 0.76 C ATOM 598 CE LYS A 32 10.086 16.234 -0.224 1.00 1.15 C ATOM 599 NZ LYS A 32 11.513 16.647 -0.261 1.00 1.65 N ATOM 0 H LYS A 32 7.108 15.315 -3.750 1.00 0.59 H new ATOM 0 HA LYS A 32 9.636 14.012 -3.530 1.00 0.58 H new ATOM 0 HB2 LYS A 32 6.963 13.436 -2.233 1.00 0.57 H new ATOM 0 HB3 LYS A 32 8.486 12.692 -1.787 1.00 0.57 H new ATOM 0 HG2 LYS A 32 7.775 15.639 -1.562 1.00 0.63 H new ATOM 0 HG3 LYS A 32 7.966 14.503 -0.241 1.00 0.63 H new ATOM 0 HD2 LYS A 32 10.360 14.198 -0.849 1.00 0.76 H new ATOM 0 HD3 LYS A 32 10.170 15.333 -2.171 1.00 0.76 H new ATOM 0 HE2 LYS A 32 9.455 17.083 -0.488 1.00 1.15 H new ATOM 0 HE3 LYS A 32 9.818 15.942 0.791 1.00 1.15 H new ATOM 0 HZ1 LYS A 32 11.663 17.436 0.400 1.00 1.65 H new ATOM 0 HZ2 LYS A 32 12.114 15.844 0.016 1.00 1.65 H new ATOM 0 HZ3 LYS A 32 11.762 16.950 -1.224 1.00 1.65 H new ATOM 613 N ALA A 33 9.257 11.683 -4.429 1.00 0.56 N ATOM 614 CA ALA A 33 9.187 10.469 -5.226 1.00 0.55 C ATOM 615 C ALA A 33 8.179 9.507 -4.630 1.00 0.52 C ATOM 616 O ALA A 33 7.971 9.506 -3.421 1.00 0.50 O ATOM 617 CB ALA A 33 10.552 9.805 -5.302 1.00 0.59 C ATOM 0 H ALA A 33 10.089 11.750 -3.843 1.00 0.56 H new ATOM 0 HA ALA A 33 8.869 10.737 -6.234 1.00 0.55 H new ATOM 0 HB1 ALA A 33 10.482 8.898 -5.902 1.00 0.59 H new ATOM 0 HB2 ALA A 33 11.265 10.490 -5.761 1.00 0.59 H new ATOM 0 HB3 ALA A 33 10.889 9.550 -4.297 1.00 0.59 H new ATOM 623 N LYS A 34 7.560 8.686 -5.472 1.00 0.53 N ATOM 624 CA LYS A 34 6.629 7.660 -5.002 1.00 0.51 C ATOM 625 C LYS A 34 7.273 6.808 -3.906 1.00 0.51 C ATOM 626 O LYS A 34 6.601 6.364 -2.979 1.00 0.48 O ATOM 627 CB LYS A 34 6.175 6.775 -6.157 1.00 0.56 C ATOM 628 CG LYS A 34 7.311 6.022 -6.810 1.00 1.21 C ATOM 629 CD LYS A 34 7.750 6.663 -8.118 1.00 1.64 C ATOM 630 CE LYS A 34 6.737 6.426 -9.225 1.00 2.21 C ATOM 631 NZ LYS A 34 6.706 5.001 -9.647 1.00 2.97 N ATOM 0 H LYS A 34 7.685 8.709 -6.484 1.00 0.53 H new ATOM 0 HA LYS A 34 5.756 8.161 -4.585 1.00 0.51 H new ATOM 0 HB2 LYS A 34 5.437 6.061 -5.791 1.00 0.56 H new ATOM 0 HB3 LYS A 34 5.678 7.392 -6.906 1.00 0.56 H new ATOM 0 HG2 LYS A 34 8.158 5.981 -6.125 1.00 1.21 H new ATOM 0 HG3 LYS A 34 7.002 4.993 -6.997 1.00 1.21 H new ATOM 0 HD2 LYS A 34 7.885 7.735 -7.971 1.00 1.64 H new ATOM 0 HD3 LYS A 34 8.717 6.258 -8.416 1.00 1.64 H new ATOM 0 HE2 LYS A 34 5.747 6.725 -8.882 1.00 2.21 H new ATOM 0 HE3 LYS A 34 6.981 7.054 -10.082 1.00 2.21 H new ATOM 0 HZ1 LYS A 34 7.110 4.913 -10.601 1.00 2.97 H new ATOM 0 HZ2 LYS A 34 7.264 4.429 -8.981 1.00 2.97 H new ATOM 0 HZ3 LYS A 34 5.723 4.662 -9.655 1.00 2.97 H new ATOM 645 N LYS A 35 8.580 6.602 -4.025 1.00 0.54 N ATOM 646 CA LYS A 35 9.349 5.864 -3.026 1.00 0.56 C ATOM 647 C LYS A 35 9.206 6.494 -1.632 1.00 0.53 C ATOM 648 O LYS A 35 9.305 5.805 -0.619 1.00 0.55 O ATOM 649 CB LYS A 35 10.827 5.828 -3.450 1.00 0.61 C ATOM 650 CG LYS A 35 11.768 5.224 -2.414 1.00 1.17 C ATOM 651 CD LYS A 35 11.460 3.759 -2.148 1.00 1.56 C ATOM 652 CE LYS A 35 12.272 3.223 -0.976 1.00 2.18 C ATOM 653 NZ LYS A 35 13.731 3.189 -1.263 1.00 2.82 N ATOM 0 H LYS A 35 9.135 6.939 -4.812 1.00 0.54 H new ATOM 0 HA LYS A 35 8.960 4.848 -2.966 1.00 0.56 H new ATOM 0 HB2 LYS A 35 10.912 5.259 -4.375 1.00 0.61 H new ATOM 0 HB3 LYS A 35 11.154 6.844 -3.670 1.00 0.61 H new ATOM 0 HG2 LYS A 35 12.797 5.321 -2.759 1.00 1.17 H new ATOM 0 HG3 LYS A 35 11.690 5.785 -1.483 1.00 1.17 H new ATOM 0 HD2 LYS A 35 10.397 3.641 -1.940 1.00 1.56 H new ATOM 0 HD3 LYS A 35 11.677 3.172 -3.041 1.00 1.56 H new ATOM 0 HE2 LYS A 35 12.092 3.844 -0.099 1.00 2.18 H new ATOM 0 HE3 LYS A 35 11.930 2.218 -0.730 1.00 2.18 H new ATOM 0 HZ1 LYS A 35 14.239 2.817 -0.435 1.00 2.82 H new ATOM 0 HZ2 LYS A 35 13.909 2.575 -2.083 1.00 2.82 H new ATOM 0 HZ3 LYS A 35 14.066 4.151 -1.471 1.00 2.82 H new ATOM 667 N GLU A 36 8.938 7.797 -1.589 1.00 0.51 N ATOM 668 CA GLU A 36 8.865 8.534 -0.332 1.00 0.50 C ATOM 669 C GLU A 36 7.451 8.486 0.246 1.00 0.44 C ATOM 670 O GLU A 36 7.228 8.494 1.457 1.00 0.45 O ATOM 671 CB GLU A 36 9.305 9.979 -0.556 1.00 0.53 C ATOM 672 CG GLU A 36 10.632 10.075 -1.285 1.00 0.61 C ATOM 673 CD GLU A 36 11.172 11.487 -1.358 1.00 0.68 C ATOM 674 OE1 GLU A 36 11.681 11.985 -0.331 1.00 0.85 O ATOM 675 OE2 GLU A 36 11.109 12.100 -2.444 1.00 0.66 O ATOM 0 H GLU A 36 8.767 8.367 -2.417 1.00 0.51 H new ATOM 0 HA GLU A 36 9.536 8.066 0.388 1.00 0.50 H new ATOM 0 HB2 GLU A 36 8.540 10.504 -1.129 1.00 0.53 H new ATOM 0 HB3 GLU A 36 9.385 10.484 0.406 1.00 0.53 H new ATOM 0 HG2 GLU A 36 11.362 9.440 -0.783 1.00 0.61 H new ATOM 0 HG3 GLU A 36 10.513 9.686 -2.296 1.00 0.61 H new ATOM 682 N LEU A 37 6.515 8.377 -0.689 1.00 0.39 N ATOM 683 CA LEU A 37 5.136 8.133 -0.350 1.00 0.36 C ATOM 684 C LEU A 37 4.973 6.714 0.173 1.00 0.36 C ATOM 685 O LEU A 37 4.300 6.481 1.178 1.00 0.35 O ATOM 686 CB LEU A 37 4.287 8.351 -1.594 1.00 0.37 C ATOM 687 CG LEU A 37 4.129 9.804 -2.053 1.00 0.41 C ATOM 688 CD1 LEU A 37 3.242 10.568 -1.092 1.00 1.22 C ATOM 689 CD2 LEU A 37 5.458 10.532 -2.206 1.00 1.01 C ATOM 0 H LEU A 37 6.696 8.456 -1.690 1.00 0.39 H new ATOM 0 HA LEU A 37 4.813 8.819 0.434 1.00 0.36 H new ATOM 0 HB2 LEU A 37 4.723 7.778 -2.412 1.00 0.37 H new ATOM 0 HB3 LEU A 37 3.295 7.939 -1.409 1.00 0.37 H new ATOM 0 HG LEU A 37 3.667 9.764 -3.040 1.00 0.41 H new ATOM 0 HD11 LEU A 37 3.140 11.598 -1.432 1.00 1.22 H new ATOM 0 HD12 LEU A 37 2.259 10.099 -1.054 1.00 1.22 H new ATOM 0 HD13 LEU A 37 3.688 10.557 -0.098 1.00 1.22 H new ATOM 0 HD21 LEU A 37 5.277 11.556 -2.533 1.00 1.01 H new ATOM 0 HD22 LEU A 37 5.979 10.544 -1.248 1.00 1.01 H new ATOM 0 HD23 LEU A 37 6.071 10.018 -2.946 1.00 1.01 H new ATOM 701 N GLU A 38 5.628 5.780 -0.508 1.00 0.39 N ATOM 702 CA GLU A 38 5.659 4.384 -0.096 1.00 0.43 C ATOM 703 C GLU A 38 6.296 4.249 1.284 1.00 0.43 C ATOM 704 O GLU A 38 6.038 3.305 2.010 1.00 0.45 O ATOM 705 CB GLU A 38 6.460 3.561 -1.109 1.00 0.57 C ATOM 706 CG GLU A 38 6.606 2.098 -0.725 1.00 1.35 C ATOM 707 CD GLU A 38 7.721 1.412 -1.478 1.00 2.06 C ATOM 708 OE1 GLU A 38 8.882 1.464 -1.013 1.00 2.72 O ATOM 709 OE2 GLU A 38 7.451 0.818 -2.533 1.00 2.49 O ATOM 0 H GLU A 38 6.152 5.971 -1.362 1.00 0.39 H new ATOM 0 HA GLU A 38 4.635 4.013 -0.051 1.00 0.43 H new ATOM 0 HB2 GLU A 38 5.974 3.626 -2.082 1.00 0.57 H new ATOM 0 HB3 GLU A 38 7.452 4.000 -1.218 1.00 0.57 H new ATOM 0 HG2 GLU A 38 6.795 2.024 0.346 1.00 1.35 H new ATOM 0 HG3 GLU A 38 5.667 1.579 -0.919 1.00 1.35 H new ATOM 716 N ALA A 39 7.062 5.251 1.668 1.00 0.43 N ATOM 717 CA ALA A 39 7.836 5.195 2.894 1.00 0.45 C ATOM 718 C ALA A 39 7.076 5.704 4.098 1.00 0.42 C ATOM 719 O ALA A 39 7.088 5.096 5.168 1.00 0.44 O ATOM 720 CB ALA A 39 9.130 5.972 2.733 1.00 0.49 C ATOM 0 H ALA A 39 7.166 6.120 1.145 1.00 0.43 H new ATOM 0 HA ALA A 39 8.054 4.143 3.078 1.00 0.45 H new ATOM 0 HB1 ALA A 39 9.702 5.922 3.660 1.00 0.49 H new ATOM 0 HB2 ALA A 39 9.716 5.540 1.922 1.00 0.49 H new ATOM 0 HB3 ALA A 39 8.903 7.013 2.502 1.00 0.49 H new ATOM 726 N LYS A 40 6.383 6.812 3.897 1.00 0.39 N ATOM 727 CA LYS A 40 5.570 7.397 4.939 1.00 0.37 C ATOM 728 C LYS A 40 4.401 6.471 5.268 1.00 0.31 C ATOM 729 O LYS A 40 4.083 6.247 6.435 1.00 0.31 O ATOM 730 CB LYS A 40 5.073 8.775 4.491 1.00 0.41 C ATOM 731 CG LYS A 40 4.346 9.552 5.573 1.00 0.79 C ATOM 732 CD LYS A 40 5.232 9.837 6.782 1.00 0.64 C ATOM 733 CE LYS A 40 6.297 10.891 6.494 1.00 0.74 C ATOM 734 NZ LYS A 40 7.563 10.298 5.983 1.00 1.34 N ATOM 0 H LYS A 40 6.370 7.324 3.015 1.00 0.39 H new ATOM 0 HA LYS A 40 6.167 7.523 5.842 1.00 0.37 H new ATOM 0 HB2 LYS A 40 5.924 9.362 4.146 1.00 0.41 H new ATOM 0 HB3 LYS A 40 4.406 8.649 3.638 1.00 0.41 H new ATOM 0 HG2 LYS A 40 3.986 10.494 5.160 1.00 0.79 H new ATOM 0 HG3 LYS A 40 3.469 8.989 5.893 1.00 0.79 H new ATOM 0 HD2 LYS A 40 4.610 10.172 7.612 1.00 0.64 H new ATOM 0 HD3 LYS A 40 5.717 8.913 7.098 1.00 0.64 H new ATOM 0 HE2 LYS A 40 5.912 11.602 5.763 1.00 0.74 H new ATOM 0 HE3 LYS A 40 6.504 11.452 7.405 1.00 0.74 H new ATOM 0 HZ1 LYS A 40 8.340 10.520 6.638 1.00 1.34 H new ATOM 0 HZ2 LYS A 40 7.458 9.266 5.908 1.00 1.34 H new ATOM 0 HZ3 LYS A 40 7.778 10.693 5.045 1.00 1.34 H new ATOM 748 N ILE A 41 3.789 5.907 4.228 1.00 0.29 N ATOM 749 CA ILE A 41 2.687 4.981 4.401 1.00 0.26 C ATOM 750 C ILE A 41 3.149 3.681 5.048 1.00 0.27 C ATOM 751 O ILE A 41 2.496 3.178 5.952 1.00 0.27 O ATOM 752 CB ILE A 41 2.011 4.681 3.053 1.00 0.29 C ATOM 753 CG1 ILE A 41 1.362 5.955 2.516 1.00 0.33 C ATOM 754 CG2 ILE A 41 0.983 3.572 3.192 1.00 0.33 C ATOM 755 CD1 ILE A 41 0.851 5.827 1.105 1.00 0.39 C ATOM 0 H ILE A 41 4.044 6.080 3.256 1.00 0.29 H new ATOM 0 HA ILE A 41 1.964 5.456 5.064 1.00 0.26 H new ATOM 0 HB ILE A 41 2.768 4.339 2.348 1.00 0.29 H new ATOM 0 HG12 ILE A 41 0.535 6.233 3.169 1.00 0.33 H new ATOM 0 HG13 ILE A 41 2.088 6.767 2.558 1.00 0.33 H new ATOM 0 HG21 ILE A 41 0.521 3.381 2.224 1.00 0.33 H new ATOM 0 HG22 ILE A 41 1.472 2.665 3.546 1.00 0.33 H new ATOM 0 HG23 ILE A 41 0.217 3.873 3.906 1.00 0.33 H new ATOM 0 HD11 ILE A 41 0.404 6.771 0.793 1.00 0.39 H new ATOM 0 HD12 ILE A 41 1.678 5.580 0.440 1.00 0.39 H new ATOM 0 HD13 ILE A 41 0.101 5.038 1.060 1.00 0.39 H new ATOM 767 N LEU A 42 4.282 3.146 4.599 1.00 0.31 N ATOM 768 CA LEU A 42 4.803 1.903 5.166 1.00 0.35 C ATOM 769 C LEU A 42 5.174 2.071 6.629 1.00 0.35 C ATOM 770 O LEU A 42 5.031 1.144 7.424 1.00 0.38 O ATOM 771 CB LEU A 42 6.035 1.410 4.407 1.00 0.39 C ATOM 772 CG LEU A 42 5.764 0.735 3.066 1.00 0.40 C ATOM 773 CD1 LEU A 42 7.050 0.157 2.510 1.00 0.45 C ATOM 774 CD2 LEU A 42 4.706 -0.352 3.198 1.00 0.40 C ATOM 0 H LEU A 42 4.851 3.547 3.854 1.00 0.31 H new ATOM 0 HA LEU A 42 4.004 1.168 5.075 1.00 0.35 H new ATOM 0 HB2 LEU A 42 6.697 2.259 4.238 1.00 0.39 H new ATOM 0 HB3 LEU A 42 6.573 0.708 5.043 1.00 0.39 H new ATOM 0 HG LEU A 42 5.382 1.487 2.376 1.00 0.40 H new ATOM 0 HD11 LEU A 42 6.849 -0.323 1.552 1.00 0.45 H new ATOM 0 HD12 LEU A 42 7.777 0.957 2.369 1.00 0.45 H new ATOM 0 HD13 LEU A 42 7.450 -0.578 3.208 1.00 0.45 H new ATOM 0 HD21 LEU A 42 4.535 -0.814 2.225 1.00 0.40 H new ATOM 0 HD22 LEU A 42 5.048 -1.109 3.904 1.00 0.40 H new ATOM 0 HD23 LEU A 42 3.776 0.087 3.559 1.00 0.40 H new ATOM 786 N HIS A 43 5.664 3.254 6.974 1.00 0.35 N ATOM 787 CA HIS A 43 5.925 3.586 8.365 1.00 0.37 C ATOM 788 C HIS A 43 4.624 3.525 9.171 1.00 0.35 C ATOM 789 O HIS A 43 4.565 2.853 10.194 1.00 0.40 O ATOM 790 CB HIS A 43 6.559 4.977 8.477 1.00 0.40 C ATOM 791 CG HIS A 43 7.067 5.301 9.851 1.00 0.49 C ATOM 792 ND1 HIS A 43 7.070 6.576 10.373 1.00 1.17 N ATOM 793 CD2 HIS A 43 7.621 4.508 10.799 1.00 1.23 C ATOM 794 CE1 HIS A 43 7.604 6.553 11.581 1.00 0.93 C ATOM 795 NE2 HIS A 43 7.945 5.310 11.862 1.00 0.92 N ATOM 0 H HIS A 43 5.888 3.996 6.311 1.00 0.35 H new ATOM 0 HA HIS A 43 6.626 2.858 8.772 1.00 0.37 H new ATOM 0 HB2 HIS A 43 7.384 5.048 7.768 1.00 0.40 H new ATOM 0 HB3 HIS A 43 5.823 5.726 8.186 1.00 0.40 H new ATOM 0 HD2 HIS A 43 7.778 3.442 10.730 1.00 1.23 H new ATOM 0 HE1 HIS A 43 7.739 7.407 12.229 1.00 0.93 H new ATOM 0 HE2 HIS A 43 8.379 4.997 12.730 1.00 0.92 H new ATOM 804 N TYR A 44 3.583 4.214 8.691 1.00 0.30 N ATOM 805 CA TYR A 44 2.274 4.180 9.340 1.00 0.30 C ATOM 806 C TYR A 44 1.758 2.751 9.421 1.00 0.32 C ATOM 807 O TYR A 44 1.324 2.282 10.470 1.00 0.40 O ATOM 808 CB TYR A 44 1.270 5.016 8.551 1.00 0.31 C ATOM 809 CG TYR A 44 1.594 6.481 8.509 1.00 0.35 C ATOM 810 CD1 TYR A 44 2.194 7.104 9.591 1.00 0.42 C ATOM 811 CD2 TYR A 44 1.310 7.239 7.386 1.00 0.40 C ATOM 812 CE1 TYR A 44 2.501 8.445 9.556 1.00 0.52 C ATOM 813 CE2 TYR A 44 1.615 8.578 7.339 1.00 0.50 C ATOM 814 CZ TYR A 44 2.166 9.191 8.442 1.00 0.58 C ATOM 815 OH TYR A 44 2.515 10.519 8.384 1.00 0.68 O ATOM 0 H TYR A 44 3.624 4.800 7.857 1.00 0.30 H new ATOM 0 HA TYR A 44 2.386 4.588 10.345 1.00 0.30 H new ATOM 0 HB2 TYR A 44 1.219 4.636 7.531 1.00 0.31 H new ATOM 0 HB3 TYR A 44 0.281 4.886 8.989 1.00 0.31 H new ATOM 0 HD1 TYR A 44 2.424 6.529 10.475 1.00 0.42 H new ATOM 0 HD2 TYR A 44 0.841 6.770 6.533 1.00 0.40 H new ATOM 0 HE1 TYR A 44 3.000 8.911 10.393 1.00 0.52 H new ATOM 0 HE2 TYR A 44 1.423 9.147 6.441 1.00 0.50 H new ATOM 0 HH TYR A 44 2.208 10.901 7.535 1.00 0.68 H new ATOM 825 N TYR A 45 1.826 2.082 8.280 1.00 0.30 N ATOM 826 CA TYR A 45 1.344 0.726 8.114 1.00 0.33 C ATOM 827 C TYR A 45 1.999 -0.233 9.100 1.00 0.40 C ATOM 828 O TYR A 45 1.321 -1.033 9.747 1.00 0.42 O ATOM 829 CB TYR A 45 1.629 0.287 6.675 1.00 0.35 C ATOM 830 CG TYR A 45 1.293 -1.141 6.389 1.00 0.40 C ATOM 831 CD1 TYR A 45 -0.006 -1.602 6.480 1.00 0.41 C ATOM 832 CD2 TYR A 45 2.289 -2.024 6.021 1.00 0.49 C ATOM 833 CE1 TYR A 45 -0.303 -2.917 6.213 1.00 0.46 C ATOM 834 CE2 TYR A 45 2.004 -3.339 5.749 1.00 0.54 C ATOM 835 CZ TYR A 45 0.707 -3.784 5.846 1.00 0.53 C ATOM 836 OH TYR A 45 0.423 -5.101 5.578 1.00 0.58 O ATOM 0 H TYR A 45 2.226 2.477 7.429 1.00 0.30 H new ATOM 0 HA TYR A 45 0.273 0.704 8.315 1.00 0.33 H new ATOM 0 HB2 TYR A 45 1.064 0.924 5.995 1.00 0.35 H new ATOM 0 HB3 TYR A 45 2.685 0.449 6.461 1.00 0.35 H new ATOM 0 HD1 TYR A 45 -0.796 -0.922 6.764 1.00 0.41 H new ATOM 0 HD2 TYR A 45 3.308 -1.674 5.946 1.00 0.49 H new ATOM 0 HE1 TYR A 45 -1.321 -3.270 6.290 1.00 0.46 H new ATOM 0 HE2 TYR A 45 2.793 -4.019 5.461 1.00 0.54 H new ATOM 0 HH TYR A 45 1.259 -5.608 5.509 1.00 0.58 H new ATOM 846 N ASP A 46 3.311 -0.142 9.228 1.00 0.43 N ATOM 847 CA ASP A 46 4.050 -1.090 10.051 1.00 0.51 C ATOM 848 C ASP A 46 3.974 -0.706 11.528 1.00 0.53 C ATOM 849 O ASP A 46 4.356 -1.482 12.403 1.00 0.60 O ATOM 850 CB ASP A 46 5.506 -1.180 9.591 1.00 0.58 C ATOM 851 CG ASP A 46 6.154 -2.490 9.988 1.00 0.90 C ATOM 852 OD1 ASP A 46 5.872 -3.525 9.350 1.00 1.20 O ATOM 853 OD2 ASP A 46 6.958 -2.490 10.951 1.00 1.14 O ATOM 0 H ASP A 46 3.885 0.571 8.778 1.00 0.43 H new ATOM 0 HA ASP A 46 3.590 -2.071 9.934 1.00 0.51 H new ATOM 0 HB2 ASP A 46 5.550 -1.069 8.508 1.00 0.58 H new ATOM 0 HB3 ASP A 46 6.072 -0.353 10.019 1.00 0.58 H new ATOM 858 N GLU A 47 3.470 0.490 11.806 1.00 0.49 N ATOM 859 CA GLU A 47 3.224 0.905 13.179 1.00 0.51 C ATOM 860 C GLU A 47 1.802 0.540 13.582 1.00 0.49 C ATOM 861 O GLU A 47 1.431 0.647 14.752 1.00 0.58 O ATOM 862 CB GLU A 47 3.437 2.406 13.352 1.00 0.53 C ATOM 863 CG GLU A 47 4.891 2.837 13.259 1.00 1.21 C ATOM 864 CD GLU A 47 5.094 4.263 13.725 1.00 1.73 C ATOM 865 OE1 GLU A 47 4.943 5.186 12.897 1.00 2.22 O ATOM 866 OE2 GLU A 47 5.415 4.473 14.910 1.00 2.21 O ATOM 0 H GLU A 47 3.225 1.186 11.102 1.00 0.49 H new ATOM 0 HA GLU A 47 3.934 0.384 13.821 1.00 0.51 H new ATOM 0 HB2 GLU A 47 2.862 2.934 12.591 1.00 0.53 H new ATOM 0 HB3 GLU A 47 3.039 2.710 14.320 1.00 0.53 H new ATOM 0 HG2 GLU A 47 5.506 2.168 13.861 1.00 1.21 H new ATOM 0 HG3 GLU A 47 5.232 2.741 12.228 1.00 1.21 H new ATOM 873 N LEU A 48 1.009 0.114 12.614 1.00 0.44 N ATOM 874 CA LEU A 48 -0.338 -0.311 12.869 1.00 0.46 C ATOM 875 C LEU A 48 -0.345 -1.685 13.484 1.00 0.69 C ATOM 876 O LEU A 48 0.596 -2.467 13.334 1.00 1.11 O ATOM 877 CB LEU A 48 -1.157 -0.335 11.586 1.00 0.37 C ATOM 878 CG LEU A 48 -1.709 1.004 11.121 1.00 0.36 C ATOM 879 CD1 LEU A 48 -2.282 0.853 9.735 1.00 0.44 C ATOM 880 CD2 LEU A 48 -2.792 1.493 12.063 1.00 0.47 C ATOM 0 H LEU A 48 1.289 0.057 11.635 1.00 0.44 H new ATOM 0 HA LEU A 48 -0.785 0.403 13.560 1.00 0.46 H new ATOM 0 HB2 LEU A 48 -0.536 -0.746 10.790 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -1.992 -1.021 11.725 1.00 0.37 H new ATOM 0 HG LEU A 48 -0.899 1.733 11.113 1.00 0.36 H new ATOM 0 HD11 LEU A 48 -2.679 1.811 9.399 1.00 0.44 H new ATOM 0 HD12 LEU A 48 -1.499 0.524 9.051 1.00 0.44 H new ATOM 0 HD13 LEU A 48 -3.083 0.114 9.751 1.00 0.44 H new ATOM 0 HD21 LEU A 48 -3.173 2.452 11.712 1.00 0.47 H new ATOM 0 HD22 LEU A 48 -3.605 0.767 12.091 1.00 0.47 H new ATOM 0 HD23 LEU A 48 -2.377 1.612 13.064 1.00 0.47 H new ATOM 892 N GLU A 49 -1.412 -1.952 14.176 1.00 0.61 N ATOM 893 CA GLU A 49 -1.616 -3.238 14.819 1.00 0.86 C ATOM 894 C GLU A 49 -3.100 -3.548 14.962 1.00 0.61 C ATOM 895 O GLU A 49 -3.949 -2.683 14.728 1.00 1.16 O ATOM 896 CB GLU A 49 -0.941 -3.242 16.184 1.00 1.42 C ATOM 897 CG GLU A 49 -1.415 -2.121 17.088 1.00 1.33 C ATOM 898 CD GLU A 49 -0.610 -2.028 18.361 1.00 2.01 C ATOM 899 OE1 GLU A 49 -0.935 -2.745 19.329 1.00 2.19 O ATOM 900 OE2 GLU A 49 0.346 -1.232 18.406 1.00 2.83 O ATOM 0 H GLU A 49 -2.174 -1.289 14.318 1.00 0.61 H new ATOM 0 HA GLU A 49 -1.170 -4.013 14.195 1.00 0.86 H new ATOM 0 HB2 GLU A 49 -1.129 -4.198 16.672 1.00 1.42 H new ATOM 0 HB3 GLU A 49 0.137 -3.160 16.049 1.00 1.42 H new ATOM 0 HG2 GLU A 49 -1.352 -1.174 16.552 1.00 1.33 H new ATOM 0 HG3 GLU A 49 -2.465 -2.277 17.336 1.00 1.33 H new ATOM 907 N GLY A 50 -3.401 -4.791 15.322 1.00 0.74 N ATOM 908 CA GLY A 50 -4.772 -5.196 15.568 1.00 0.61 C ATOM 909 C GLY A 50 -5.656 -5.090 14.343 1.00 0.54 C ATOM 910 O GLY A 50 -5.194 -5.266 13.211 1.00 0.54 O ATOM 0 H GLY A 50 -2.712 -5.532 15.449 1.00 0.74 H new ATOM 0 HA2 GLY A 50 -4.781 -6.225 15.926 1.00 0.61 H new ATOM 0 HA3 GLY A 50 -5.189 -4.578 16.363 1.00 0.61 H new ATOM 914 N ASP A 51 -6.929 -4.788 14.577 1.00 0.54 N ATOM 915 CA ASP A 51 -7.915 -4.660 13.505 1.00 0.52 C ATOM 916 C ASP A 51 -7.528 -3.551 12.547 1.00 0.46 C ATOM 917 O ASP A 51 -7.759 -3.666 11.353 1.00 0.46 O ATOM 918 CB ASP A 51 -9.305 -4.382 14.083 1.00 0.58 C ATOM 919 CG ASP A 51 -9.814 -5.523 14.937 1.00 1.53 C ATOM 920 OD1 ASP A 51 -9.499 -5.555 16.145 1.00 2.37 O ATOM 921 OD2 ASP A 51 -10.540 -6.389 14.405 1.00 2.06 O ATOM 0 H ASP A 51 -7.307 -4.625 15.510 1.00 0.54 H new ATOM 0 HA ASP A 51 -7.940 -5.603 12.958 1.00 0.52 H new ATOM 0 HB2 ASP A 51 -9.271 -3.471 14.681 1.00 0.58 H new ATOM 0 HB3 ASP A 51 -10.005 -4.202 13.267 1.00 0.58 H new ATOM 926 N ALA A 52 -6.939 -2.479 13.068 1.00 0.43 N ATOM 927 CA ALA A 52 -6.540 -1.362 12.223 1.00 0.41 C ATOM 928 C ALA A 52 -5.552 -1.830 11.173 1.00 0.40 C ATOM 929 O ALA A 52 -5.684 -1.525 9.992 1.00 0.40 O ATOM 930 CB ALA A 52 -5.958 -0.234 13.042 1.00 0.42 C ATOM 0 H ALA A 52 -6.730 -2.362 14.059 1.00 0.43 H new ATOM 0 HA ALA A 52 -7.429 -0.979 11.722 1.00 0.41 H new ATOM 0 HB1 ALA A 52 -5.670 0.584 12.382 1.00 0.42 H new ATOM 0 HB2 ALA A 52 -6.703 0.120 13.755 1.00 0.42 H new ATOM 0 HB3 ALA A 52 -5.081 -0.591 13.581 1.00 0.42 H new ATOM 936 N LYS A 53 -4.551 -2.574 11.636 1.00 0.40 N ATOM 937 CA LYS A 53 -3.497 -3.073 10.773 1.00 0.41 C ATOM 938 C LYS A 53 -4.103 -4.031 9.778 1.00 0.41 C ATOM 939 O LYS A 53 -3.862 -3.927 8.583 1.00 0.40 O ATOM 940 CB LYS A 53 -2.423 -3.776 11.609 1.00 0.47 C ATOM 941 CG LYS A 53 -1.043 -3.824 10.962 1.00 0.52 C ATOM 942 CD LYS A 53 -0.923 -4.925 9.929 1.00 0.94 C ATOM 943 CE LYS A 53 0.426 -4.876 9.229 1.00 0.83 C ATOM 944 NZ LYS A 53 0.565 -5.962 8.225 1.00 1.62 N ATOM 0 H LYS A 53 -4.452 -2.844 12.615 1.00 0.40 H new ATOM 0 HA LYS A 53 -3.026 -2.246 10.242 1.00 0.41 H new ATOM 0 HB2 LYS A 53 -2.341 -3.270 12.571 1.00 0.47 H new ATOM 0 HB3 LYS A 53 -2.750 -4.796 11.812 1.00 0.47 H new ATOM 0 HG2 LYS A 53 -0.833 -2.864 10.491 1.00 0.52 H new ATOM 0 HG3 LYS A 53 -0.288 -3.972 11.735 1.00 0.52 H new ATOM 0 HD2 LYS A 53 -1.051 -5.895 10.410 1.00 0.94 H new ATOM 0 HD3 LYS A 53 -1.721 -4.826 9.194 1.00 0.94 H new ATOM 0 HE2 LYS A 53 0.547 -3.910 8.739 1.00 0.83 H new ATOM 0 HE3 LYS A 53 1.223 -4.960 9.968 1.00 0.83 H new ATOM 0 HZ1 LYS A 53 1.466 -6.460 8.375 1.00 1.62 H new ATOM 0 HZ2 LYS A 53 -0.223 -6.633 8.328 1.00 1.62 H new ATOM 0 HZ3 LYS A 53 0.550 -5.554 7.268 1.00 1.62 H new ATOM 958 N LYS A 54 -4.886 -4.962 10.300 1.00 0.44 N ATOM 959 CA LYS A 54 -5.647 -5.886 9.502 1.00 0.47 C ATOM 960 C LYS A 54 -6.421 -5.165 8.404 1.00 0.44 C ATOM 961 O LYS A 54 -6.333 -5.520 7.228 1.00 0.46 O ATOM 962 CB LYS A 54 -6.608 -6.611 10.415 1.00 0.52 C ATOM 963 CG LYS A 54 -7.450 -7.607 9.691 1.00 0.99 C ATOM 964 CD LYS A 54 -8.315 -8.381 10.656 1.00 0.97 C ATOM 965 CE LYS A 54 -9.323 -9.260 9.938 1.00 1.74 C ATOM 966 NZ LYS A 54 -10.194 -9.989 10.896 1.00 2.49 N ATOM 0 H LYS A 54 -5.006 -5.092 11.305 1.00 0.44 H new ATOM 0 HA LYS A 54 -4.968 -6.588 9.017 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -6.045 -7.118 11.199 1.00 0.52 H new ATOM 0 HB3 LYS A 54 -7.254 -5.884 10.906 1.00 0.52 H new ATOM 0 HG2 LYS A 54 -8.079 -7.096 8.961 1.00 0.99 H new ATOM 0 HG3 LYS A 54 -6.812 -8.295 9.136 1.00 0.99 H new ATOM 0 HD2 LYS A 54 -7.683 -9.000 11.293 1.00 0.97 H new ATOM 0 HD3 LYS A 54 -8.841 -7.685 11.309 1.00 0.97 H new ATOM 0 HE2 LYS A 54 -9.939 -8.646 9.280 1.00 1.74 H new ATOM 0 HE3 LYS A 54 -8.797 -9.976 9.306 1.00 1.74 H new ATOM 0 HZ1 LYS A 54 -10.870 -10.579 10.371 1.00 2.49 H new ATOM 0 HZ2 LYS A 54 -9.608 -10.593 11.507 1.00 2.49 H new ATOM 0 HZ3 LYS A 54 -10.714 -9.305 11.482 1.00 2.49 H new ATOM 980 N GLU A 55 -7.151 -4.131 8.806 1.00 0.42 N ATOM 981 CA GLU A 55 -7.959 -3.351 7.892 1.00 0.41 C ATOM 982 C GLU A 55 -7.088 -2.616 6.891 1.00 0.39 C ATOM 983 O GLU A 55 -7.353 -2.668 5.690 1.00 0.41 O ATOM 984 CB GLU A 55 -8.819 -2.362 8.679 1.00 0.42 C ATOM 985 CG GLU A 55 -10.045 -2.996 9.308 1.00 0.89 C ATOM 986 CD GLU A 55 -10.963 -1.971 9.933 1.00 1.39 C ATOM 987 OE1 GLU A 55 -11.404 -1.044 9.223 1.00 1.34 O ATOM 988 OE2 GLU A 55 -11.260 -2.092 11.140 1.00 2.27 O ATOM 0 H GLU A 55 -7.196 -3.815 9.775 1.00 0.42 H new ATOM 0 HA GLU A 55 -8.609 -4.028 7.337 1.00 0.41 H new ATOM 0 HB2 GLU A 55 -8.212 -1.908 9.462 1.00 0.42 H new ATOM 0 HB3 GLU A 55 -9.136 -1.558 8.014 1.00 0.42 H new ATOM 0 HG2 GLU A 55 -10.592 -3.556 8.549 1.00 0.89 H new ATOM 0 HG3 GLU A 55 -9.732 -3.712 10.068 1.00 0.89 H new ATOM 995 N ALA A 56 -6.051 -1.943 7.360 1.00 0.36 N ATOM 996 CA ALA A 56 -5.175 -1.227 6.459 1.00 0.34 C ATOM 997 C ALA A 56 -4.542 -2.203 5.481 1.00 0.36 C ATOM 998 O ALA A 56 -4.586 -2.005 4.273 1.00 0.37 O ATOM 999 CB ALA A 56 -4.122 -0.446 7.230 1.00 0.31 C ATOM 0 H ALA A 56 -5.800 -1.879 8.347 1.00 0.36 H new ATOM 0 HA ALA A 56 -5.760 -0.502 5.893 1.00 0.34 H new ATOM 0 HB1 ALA A 56 -3.476 0.083 6.529 1.00 0.31 H new ATOM 0 HB2 ALA A 56 -4.611 0.273 7.887 1.00 0.31 H new ATOM 0 HB3 ALA A 56 -3.523 -1.134 7.827 1.00 0.31 H new ATOM 1005 N THR A 57 -3.964 -3.263 6.026 1.00 0.38 N ATOM 1006 CA THR A 57 -3.357 -4.319 5.232 1.00 0.41 C ATOM 1007 C THR A 57 -4.275 -4.819 4.123 1.00 0.44 C ATOM 1008 O THR A 57 -3.875 -4.945 2.974 1.00 0.45 O ATOM 1009 CB THR A 57 -2.983 -5.522 6.120 1.00 0.45 C ATOM 1010 OG1 THR A 57 -2.066 -5.115 7.134 1.00 0.43 O ATOM 1011 CG2 THR A 57 -2.380 -6.649 5.303 1.00 0.51 C ATOM 0 H THR A 57 -3.903 -3.415 7.033 1.00 0.38 H new ATOM 0 HA THR A 57 -2.467 -3.881 4.780 1.00 0.41 H new ATOM 0 HB THR A 57 -3.898 -5.892 6.583 1.00 0.45 H new ATOM 0 HG1 THR A 57 -1.235 -4.805 6.718 1.00 0.43 H new ATOM 0 HG21 THR A 57 -2.128 -7.481 5.961 1.00 0.51 H new ATOM 0 HG22 THR A 57 -3.100 -6.982 4.556 1.00 0.51 H new ATOM 0 HG23 THR A 57 -1.478 -6.295 4.804 1.00 0.51 H new ATOM 1019 N GLU A 58 -5.526 -5.066 4.505 1.00 0.45 N ATOM 1020 CA GLU A 58 -6.562 -5.493 3.577 1.00 0.49 C ATOM 1021 C GLU A 58 -6.837 -4.430 2.510 1.00 0.48 C ATOM 1022 O GLU A 58 -7.163 -4.763 1.369 1.00 0.53 O ATOM 1023 CB GLU A 58 -7.843 -5.831 4.343 1.00 0.52 C ATOM 1024 CG GLU A 58 -7.931 -7.284 4.766 1.00 0.78 C ATOM 1025 CD GLU A 58 -9.232 -7.606 5.472 1.00 1.14 C ATOM 1026 OE1 GLU A 58 -10.305 -7.231 4.957 1.00 1.37 O ATOM 1027 OE2 GLU A 58 -9.184 -8.237 6.548 1.00 1.71 O ATOM 0 H GLU A 58 -5.847 -4.975 5.469 1.00 0.45 H new ATOM 0 HA GLU A 58 -6.207 -6.386 3.063 1.00 0.49 H new ATOM 0 HB2 GLU A 58 -7.904 -5.199 5.229 1.00 0.52 H new ATOM 0 HB3 GLU A 58 -8.704 -5.590 3.719 1.00 0.52 H new ATOM 0 HG2 GLU A 58 -7.831 -7.921 3.887 1.00 0.78 H new ATOM 0 HG3 GLU A 58 -7.096 -7.518 5.426 1.00 0.78 H new ATOM 1034 N HIS A 59 -6.684 -3.159 2.865 1.00 0.43 N ATOM 1035 CA HIS A 59 -6.914 -2.078 1.917 1.00 0.43 C ATOM 1036 C HIS A 59 -5.745 -1.977 0.949 1.00 0.42 C ATOM 1037 O HIS A 59 -5.935 -1.885 -0.265 1.00 0.44 O ATOM 1038 CB HIS A 59 -7.120 -0.738 2.627 1.00 0.40 C ATOM 1039 CG HIS A 59 -8.468 -0.580 3.262 1.00 0.48 C ATOM 1040 ND1 HIS A 59 -9.650 -0.703 2.564 1.00 0.72 N ATOM 1041 CD2 HIS A 59 -8.820 -0.305 4.539 1.00 0.42 C ATOM 1042 CE1 HIS A 59 -10.665 -0.510 3.385 1.00 0.77 C ATOM 1043 NE2 HIS A 59 -10.189 -0.269 4.591 1.00 0.57 N ATOM 0 H HIS A 59 -6.403 -2.854 3.797 1.00 0.43 H new ATOM 0 HA HIS A 59 -7.826 -2.308 1.366 1.00 0.43 H new ATOM 0 HB2 HIS A 59 -6.354 -0.625 3.394 1.00 0.40 H new ATOM 0 HB3 HIS A 59 -6.973 0.068 1.908 1.00 0.40 H new ATOM 0 HD2 HIS A 59 -8.145 -0.143 5.367 1.00 0.42 H new ATOM 0 HE1 HIS A 59 -11.710 -0.544 3.115 1.00 0.77 H new ATOM 0 HE2 HIS A 59 -10.747 -0.086 5.425 1.00 0.57 H new ATOM 1052 N LEU A 60 -4.536 -1.979 1.496 1.00 0.40 N ATOM 1053 CA LEU A 60 -3.335 -2.013 0.700 1.00 0.40 C ATOM 1054 C LEU A 60 -3.256 -3.280 -0.147 1.00 0.43 C ATOM 1055 O LEU A 60 -2.722 -3.253 -1.253 1.00 0.43 O ATOM 1056 CB LEU A 60 -2.107 -1.890 1.592 1.00 0.39 C ATOM 1057 CG LEU A 60 -1.828 -0.470 2.066 1.00 0.38 C ATOM 1058 CD1 LEU A 60 -2.884 0.017 3.024 1.00 0.62 C ATOM 1059 CD2 LEU A 60 -0.438 -0.351 2.668 1.00 0.59 C ATOM 0 H LEU A 60 -4.370 -1.957 2.502 1.00 0.40 H new ATOM 0 HA LEU A 60 -3.364 -1.164 0.018 1.00 0.40 H new ATOM 0 HB2 LEU A 60 -2.236 -2.534 2.462 1.00 0.39 H new ATOM 0 HB3 LEU A 60 -1.237 -2.259 1.049 1.00 0.39 H new ATOM 0 HG LEU A 60 -1.865 0.176 1.189 1.00 0.38 H new ATOM 0 HD11 LEU A 60 -2.649 1.034 3.339 1.00 0.62 H new ATOM 0 HD12 LEU A 60 -3.856 0.006 2.531 1.00 0.62 H new ATOM 0 HD13 LEU A 60 -2.912 -0.636 3.897 1.00 0.62 H new ATOM 0 HD21 LEU A 60 -0.270 0.675 2.996 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -0.352 -1.024 3.521 1.00 0.59 H new ATOM 0 HD23 LEU A 60 0.307 -0.618 1.919 1.00 0.59 H new ATOM 1071 N LYS A 61 -3.790 -4.386 0.365 1.00 0.46 N ATOM 1072 CA LYS A 61 -3.841 -5.630 -0.394 1.00 0.50 C ATOM 1073 C LYS A 61 -4.704 -5.451 -1.625 1.00 0.53 C ATOM 1074 O LYS A 61 -4.275 -5.750 -2.733 1.00 0.56 O ATOM 1075 CB LYS A 61 -4.378 -6.783 0.457 1.00 0.51 C ATOM 1076 CG LYS A 61 -3.318 -7.460 1.313 1.00 0.57 C ATOM 1077 CD LYS A 61 -3.934 -8.479 2.261 1.00 0.57 C ATOM 1078 CE LYS A 61 -2.864 -9.276 2.990 1.00 0.59 C ATOM 1079 NZ LYS A 61 -3.433 -10.130 4.064 1.00 0.67 N ATOM 0 H LYS A 61 -4.192 -4.445 1.300 1.00 0.46 H new ATOM 0 HA LYS A 61 -2.824 -5.880 -0.696 1.00 0.50 H new ATOM 0 HB2 LYS A 61 -5.169 -6.406 1.105 1.00 0.51 H new ATOM 0 HB3 LYS A 61 -4.831 -7.526 -0.199 1.00 0.51 H new ATOM 0 HG2 LYS A 61 -2.590 -7.954 0.669 1.00 0.57 H new ATOM 0 HG3 LYS A 61 -2.777 -6.708 1.887 1.00 0.57 H new ATOM 0 HD2 LYS A 61 -4.566 -7.967 2.987 1.00 0.57 H new ATOM 0 HD3 LYS A 61 -4.577 -9.158 1.700 1.00 0.57 H new ATOM 0 HE2 LYS A 61 -2.330 -9.902 2.275 1.00 0.59 H new ATOM 0 HE3 LYS A 61 -2.134 -8.591 3.421 1.00 0.59 H new ATOM 0 HZ1 LYS A 61 -2.667 -10.654 4.533 1.00 0.67 H new ATOM 0 HZ2 LYS A 61 -3.921 -9.532 4.761 1.00 0.67 H new ATOM 0 HZ3 LYS A 61 -4.110 -10.802 3.651 1.00 0.67 H new ATOM 1093 N GLY A 62 -5.922 -4.958 -1.428 1.00 0.53 N ATOM 1094 CA GLY A 62 -6.796 -4.658 -2.543 1.00 0.56 C ATOM 1095 C GLY A 62 -6.172 -3.647 -3.485 1.00 0.55 C ATOM 1096 O GLY A 62 -6.277 -3.778 -4.701 1.00 0.59 O ATOM 0 H GLY A 62 -6.320 -4.760 -0.510 1.00 0.53 H new ATOM 0 HA2 GLY A 62 -7.019 -5.575 -3.088 1.00 0.56 H new ATOM 0 HA3 GLY A 62 -7.744 -4.271 -2.169 1.00 0.56 H new ATOM 1100 N GLY A 63 -5.516 -2.640 -2.913 1.00 0.50 N ATOM 1101 CA GLY A 63 -4.821 -1.640 -3.704 1.00 0.49 C ATOM 1102 C GLY A 63 -3.719 -2.236 -4.560 1.00 0.49 C ATOM 1103 O GLY A 63 -3.640 -1.977 -5.760 1.00 0.50 O ATOM 0 H GLY A 63 -5.454 -2.499 -1.905 1.00 0.50 H new ATOM 0 HA2 GLY A 63 -5.538 -1.127 -4.346 1.00 0.49 H new ATOM 0 HA3 GLY A 63 -4.394 -0.889 -3.040 1.00 0.49 H new ATOM 1107 N CYS A 64 -2.872 -3.041 -3.943 1.00 0.51 N ATOM 1108 CA CYS A 64 -1.790 -3.696 -4.656 1.00 0.55 C ATOM 1109 C CYS A 64 -2.347 -4.751 -5.609 1.00 0.56 C ATOM 1110 O CYS A 64 -1.768 -5.024 -6.655 1.00 0.56 O ATOM 1111 CB CYS A 64 -0.804 -4.324 -3.673 1.00 0.68 C ATOM 1112 SG CYS A 64 0.547 -5.247 -4.466 1.00 1.13 S ATOM 0 H CYS A 64 -2.913 -3.257 -2.947 1.00 0.51 H new ATOM 0 HA CYS A 64 -1.256 -2.948 -5.243 1.00 0.55 H new ATOM 0 HB2 CYS A 64 -0.376 -3.537 -3.051 1.00 0.68 H new ATOM 0 HB3 CYS A 64 -1.348 -4.996 -3.009 1.00 0.68 H new ATOM 1117 N ARG A 65 -3.488 -5.323 -5.248 1.00 0.62 N ATOM 1118 CA ARG A 65 -4.170 -6.275 -6.111 1.00 0.67 C ATOM 1119 C ARG A 65 -4.656 -5.575 -7.375 1.00 0.65 C ATOM 1120 O ARG A 65 -4.652 -6.162 -8.450 1.00 0.79 O ATOM 1121 CB ARG A 65 -5.336 -6.923 -5.365 1.00 0.76 C ATOM 1122 CG ARG A 65 -5.973 -8.091 -6.099 1.00 0.86 C ATOM 1123 CD ARG A 65 -7.037 -8.757 -5.242 1.00 1.49 C ATOM 1124 NE ARG A 65 -6.502 -9.181 -3.946 1.00 2.07 N ATOM 1125 CZ ARG A 65 -7.250 -9.384 -2.862 1.00 2.91 C ATOM 1126 NH1 ARG A 65 -8.565 -9.222 -2.915 1.00 3.31 N ATOM 1127 NH2 ARG A 65 -6.682 -9.759 -1.723 1.00 3.80 N ATOM 0 H ARG A 65 -3.960 -5.143 -4.362 1.00 0.62 H new ATOM 0 HA ARG A 65 -3.472 -7.061 -6.398 1.00 0.67 H new ATOM 0 HB2 ARG A 65 -4.984 -7.268 -4.393 1.00 0.76 H new ATOM 0 HB3 ARG A 65 -6.098 -6.167 -5.178 1.00 0.76 H new ATOM 0 HG2 ARG A 65 -6.418 -7.741 -7.031 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -5.207 -8.819 -6.365 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -7.864 -8.064 -5.085 1.00 1.49 H new ATOM 0 HD3 ARG A 65 -7.441 -9.621 -5.769 1.00 1.49 H new ATOM 0 HE ARG A 65 -5.496 -9.330 -3.869 1.00 2.07 H new ATOM 0 HH11 ARG A 65 -9.009 -8.941 -3.789 1.00 3.31 H new ATOM 0 HH12 ARG A 65 -9.132 -9.379 -2.082 1.00 3.31 H new ATOM 0 HH21 ARG A 65 -5.672 -9.892 -1.677 1.00 3.80 H new ATOM 0 HH22 ARG A 65 -7.256 -9.914 -0.894 1.00 3.80 H new ATOM 1141 N GLU A 66 -5.057 -4.310 -7.234 1.00 0.55 N ATOM 1142 CA GLU A 66 -5.391 -3.476 -8.386 1.00 0.55 C ATOM 1143 C GLU A 66 -4.178 -3.352 -9.291 1.00 0.48 C ATOM 1144 O GLU A 66 -4.272 -3.493 -10.507 1.00 0.47 O ATOM 1145 CB GLU A 66 -5.831 -2.081 -7.936 1.00 0.62 C ATOM 1146 CG GLU A 66 -7.123 -2.061 -7.145 1.00 0.75 C ATOM 1147 CD GLU A 66 -8.337 -2.378 -7.997 1.00 1.27 C ATOM 1148 OE1 GLU A 66 -8.800 -1.477 -8.728 1.00 1.61 O ATOM 1149 OE2 GLU A 66 -8.840 -3.517 -7.928 1.00 2.02 O ATOM 0 H GLU A 66 -5.158 -3.842 -6.333 1.00 0.55 H new ATOM 0 HA GLU A 66 -6.213 -3.945 -8.927 1.00 0.55 H new ATOM 0 HB2 GLU A 66 -5.040 -1.641 -7.329 1.00 0.62 H new ATOM 0 HB3 GLU A 66 -5.947 -1.448 -8.816 1.00 0.62 H new ATOM 0 HG2 GLU A 66 -7.057 -2.783 -6.331 1.00 0.75 H new ATOM 0 HG3 GLU A 66 -7.250 -1.079 -6.690 1.00 0.75 H new ATOM 1156 N ILE A 67 -3.031 -3.089 -8.677 1.00 0.47 N ATOM 1157 CA ILE A 67 -1.766 -3.037 -9.394 1.00 0.47 C ATOM 1158 C ILE A 67 -1.499 -4.364 -10.089 1.00 0.45 C ATOM 1159 O ILE A 67 -1.147 -4.406 -11.272 1.00 0.45 O ATOM 1160 CB ILE A 67 -0.600 -2.714 -8.436 1.00 0.58 C ATOM 1161 CG1 ILE A 67 -0.849 -1.372 -7.747 1.00 0.67 C ATOM 1162 CG2 ILE A 67 0.727 -2.700 -9.184 1.00 0.60 C ATOM 1163 CD1 ILE A 67 0.185 -1.021 -6.706 1.00 0.81 C ATOM 0 H ILE A 67 -2.953 -2.907 -7.676 1.00 0.47 H new ATOM 0 HA ILE A 67 -1.836 -2.245 -10.139 1.00 0.47 H new ATOM 0 HB ILE A 67 -0.546 -3.493 -7.676 1.00 0.58 H new ATOM 0 HG12 ILE A 67 -0.873 -0.586 -8.501 1.00 0.67 H new ATOM 0 HG13 ILE A 67 -1.832 -1.392 -7.277 1.00 0.67 H new ATOM 0 HG21 ILE A 67 1.534 -2.470 -8.489 1.00 0.60 H new ATOM 0 HG22 ILE A 67 0.902 -3.678 -9.633 1.00 0.60 H new ATOM 0 HG23 ILE A 67 0.696 -1.942 -9.967 1.00 0.60 H new ATOM 0 HD11 ILE A 67 -0.059 -0.056 -6.262 1.00 0.81 H new ATOM 0 HD12 ILE A 67 0.194 -1.786 -5.930 1.00 0.81 H new ATOM 0 HD13 ILE A 67 1.168 -0.967 -7.174 1.00 0.81 H new ATOM 1175 N LEU A 68 -1.716 -5.444 -9.356 1.00 0.61 N ATOM 1176 CA LEU A 68 -1.530 -6.788 -9.878 1.00 0.80 C ATOM 1177 C LEU A 68 -2.512 -7.065 -11.021 1.00 0.82 C ATOM 1178 O LEU A 68 -2.286 -7.935 -11.859 1.00 0.88 O ATOM 1179 CB LEU A 68 -1.714 -7.815 -8.758 1.00 1.12 C ATOM 1180 CG LEU A 68 -1.265 -9.234 -9.101 1.00 1.34 C ATOM 1181 CD1 LEU A 68 0.211 -9.247 -9.468 1.00 1.58 C ATOM 1182 CD2 LEU A 68 -1.537 -10.174 -7.936 1.00 1.71 C ATOM 0 H LEU A 68 -2.025 -5.414 -8.385 1.00 0.61 H new ATOM 0 HA LEU A 68 -0.517 -6.871 -10.271 1.00 0.80 H new ATOM 0 HB2 LEU A 68 -1.161 -7.477 -7.882 1.00 1.12 H new ATOM 0 HB3 LEU A 68 -2.767 -7.841 -8.479 1.00 1.12 H new ATOM 0 HG LEU A 68 -1.837 -9.582 -9.961 1.00 1.34 H new ATOM 0 HD11 LEU A 68 0.517 -10.265 -9.710 1.00 1.58 H new ATOM 0 HD12 LEU A 68 0.377 -8.603 -10.332 1.00 1.58 H new ATOM 0 HD13 LEU A 68 0.799 -8.882 -8.626 1.00 1.58 H new ATOM 0 HD21 LEU A 68 -1.211 -11.181 -8.197 1.00 1.71 H new ATOM 0 HD22 LEU A 68 -0.990 -9.832 -7.057 1.00 1.71 H new ATOM 0 HD23 LEU A 68 -2.605 -10.183 -7.718 1.00 1.71 H new ATOM 1194 N LYS A 69 -3.560 -6.253 -11.080 1.00 0.95 N ATOM 1195 CA LYS A 69 -4.642 -6.479 -12.033 1.00 1.24 C ATOM 1196 C LYS A 69 -4.298 -5.960 -13.423 1.00 1.20 C ATOM 1197 O LYS A 69 -4.946 -6.327 -14.400 1.00 1.61 O ATOM 1198 CB LYS A 69 -5.952 -5.852 -11.557 1.00 1.39 C ATOM 1199 CG LYS A 69 -6.743 -6.720 -10.593 1.00 1.43 C ATOM 1200 CD LYS A 69 -7.177 -8.022 -11.244 1.00 1.50 C ATOM 1201 CE LYS A 69 -8.145 -8.799 -10.365 1.00 1.68 C ATOM 1202 NZ LYS A 69 -9.417 -8.061 -10.152 1.00 2.22 N ATOM 0 H LYS A 69 -3.685 -5.436 -10.483 1.00 0.95 H new ATOM 0 HA LYS A 69 -4.773 -7.559 -12.095 1.00 1.24 H new ATOM 0 HB2 LYS A 69 -5.732 -4.900 -11.074 1.00 1.39 H new ATOM 0 HB3 LYS A 69 -6.574 -5.633 -12.425 1.00 1.39 H new ATOM 0 HG2 LYS A 69 -6.136 -6.936 -9.714 1.00 1.43 H new ATOM 0 HG3 LYS A 69 -7.621 -6.175 -10.247 1.00 1.43 H new ATOM 0 HD2 LYS A 69 -7.648 -7.809 -12.203 1.00 1.50 H new ATOM 0 HD3 LYS A 69 -6.300 -8.636 -11.449 1.00 1.50 H new ATOM 0 HE2 LYS A 69 -8.358 -9.764 -10.825 1.00 1.68 H new ATOM 0 HE3 LYS A 69 -7.677 -9.002 -9.401 1.00 1.68 H new ATOM 0 HZ1 LYS A 69 -10.145 -8.717 -9.805 1.00 2.22 H new ATOM 0 HZ2 LYS A 69 -9.268 -7.307 -9.451 1.00 2.22 H new ATOM 0 HZ3 LYS A 69 -9.729 -7.641 -11.051 1.00 2.22 H new ATOM 1216 N HIS A 70 -3.289 -5.103 -13.528 1.00 1.05 N ATOM 1217 CA HIS A 70 -2.844 -4.651 -14.841 1.00 1.16 C ATOM 1218 C HIS A 70 -1.569 -5.378 -15.171 1.00 0.91 C ATOM 1219 O HIS A 70 -1.368 -5.903 -16.264 1.00 0.89 O ATOM 1220 CB HIS A 70 -2.586 -3.142 -14.926 1.00 1.41 C ATOM 1221 CG HIS A 70 -3.021 -2.346 -13.750 1.00 1.41 C ATOM 1222 ND1 HIS A 70 -4.281 -1.810 -13.627 1.00 1.59 N ATOM 1223 CD2 HIS A 70 -2.335 -1.965 -12.653 1.00 1.49 C ATOM 1224 CE1 HIS A 70 -4.357 -1.129 -12.506 1.00 1.76 C ATOM 1225 NE2 HIS A 70 -3.190 -1.205 -11.889 1.00 1.74 N ATOM 0 H HIS A 70 -2.773 -4.714 -12.739 1.00 1.05 H new ATOM 0 HA HIS A 70 -3.646 -4.866 -15.547 1.00 1.16 H new ATOM 0 HB2 HIS A 70 -1.518 -2.983 -15.074 1.00 1.41 H new ATOM 0 HB3 HIS A 70 -3.092 -2.755 -15.811 1.00 1.41 H new ATOM 0 HD1 HIS A 70 -5.038 -1.923 -14.301 1.00 1.59 H new ATOM 0 HD2 HIS A 70 -1.310 -2.210 -12.419 1.00 1.49 H new ATOM 0 HE1 HIS A 70 -5.226 -0.597 -12.149 1.00 1.76 H new ATOM 1234 N VAL A 71 -0.710 -5.377 -14.162 1.00 0.76 N ATOM 1235 CA VAL A 71 0.662 -5.775 -14.284 1.00 0.69 C ATOM 1236 C VAL A 71 0.796 -7.261 -14.621 1.00 0.52 C ATOM 1237 O VAL A 71 1.590 -7.637 -15.481 1.00 0.59 O ATOM 1238 CB VAL A 71 1.400 -5.388 -12.982 1.00 0.81 C ATOM 1239 CG1 VAL A 71 1.325 -6.428 -11.915 1.00 1.01 C ATOM 1240 CG2 VAL A 71 2.813 -5.041 -13.253 1.00 1.46 C ATOM 0 H VAL A 71 -0.966 -5.090 -13.217 1.00 0.76 H new ATOM 0 HA VAL A 71 1.125 -5.251 -15.120 1.00 0.69 H new ATOM 0 HB VAL A 71 0.875 -4.512 -12.601 1.00 0.81 H new ATOM 0 HG11 VAL A 71 1.866 -6.084 -11.033 1.00 1.01 H new ATOM 0 HG12 VAL A 71 0.282 -6.607 -11.654 1.00 1.01 H new ATOM 0 HG13 VAL A 71 1.772 -7.354 -12.277 1.00 1.01 H new ATOM 0 HG21 VAL A 71 3.307 -4.773 -12.319 1.00 1.46 H new ATOM 0 HG22 VAL A 71 3.319 -5.897 -13.699 1.00 1.46 H new ATOM 0 HG23 VAL A 71 2.855 -4.197 -13.941 1.00 1.46 H new ATOM 1250 N VAL A 72 0.015 -8.098 -13.958 1.00 0.44 N ATOM 1251 CA VAL A 72 -0.027 -9.502 -14.312 1.00 0.46 C ATOM 1252 C VAL A 72 -1.333 -9.813 -15.032 1.00 0.47 C ATOM 1253 O VAL A 72 -1.545 -10.916 -15.541 1.00 0.64 O ATOM 1254 CB VAL A 72 0.146 -10.407 -13.073 1.00 0.52 C ATOM 1255 CG1 VAL A 72 -1.189 -10.784 -12.447 1.00 0.74 C ATOM 1256 CG2 VAL A 72 0.971 -11.625 -13.429 1.00 0.80 C ATOM 0 H VAL A 72 -0.591 -7.832 -13.182 1.00 0.44 H new ATOM 0 HA VAL A 72 0.808 -9.711 -14.981 1.00 0.46 H new ATOM 0 HB VAL A 72 0.685 -9.841 -12.313 1.00 0.52 H new ATOM 0 HG11 VAL A 72 -1.017 -11.421 -11.579 1.00 0.74 H new ATOM 0 HG12 VAL A 72 -1.713 -9.880 -12.136 1.00 0.74 H new ATOM 0 HG13 VAL A 72 -1.794 -11.321 -13.177 1.00 0.74 H new ATOM 0 HG21 VAL A 72 1.087 -12.256 -12.548 1.00 0.80 H new ATOM 0 HG22 VAL A 72 0.468 -12.188 -14.215 1.00 0.80 H new ATOM 0 HG23 VAL A 72 1.953 -11.309 -13.781 1.00 0.80 H new ATOM 1266 N GLY A 73 -2.193 -8.804 -15.085 1.00 0.45 N ATOM 1267 CA GLY A 73 -3.496 -8.957 -15.686 1.00 0.48 C ATOM 1268 C GLY A 73 -4.439 -9.722 -14.789 1.00 0.50 C ATOM 1269 O GLY A 73 -4.009 -10.372 -13.833 1.00 0.55 O ATOM 0 H GLY A 73 -2.004 -7.872 -14.716 1.00 0.45 H new ATOM 0 HA2 GLY A 73 -3.915 -7.974 -15.901 1.00 0.48 H new ATOM 0 HA3 GLY A 73 -3.398 -9.477 -16.639 1.00 0.48 H new ATOM 1273 N GLU A 74 -5.727 -9.646 -15.079 1.00 0.54 N ATOM 1274 CA GLU A 74 -6.703 -10.427 -14.341 1.00 0.58 C ATOM 1275 C GLU A 74 -6.427 -11.911 -14.552 1.00 0.53 C ATOM 1276 O GLU A 74 -6.726 -12.729 -13.695 1.00 0.60 O ATOM 1277 CB GLU A 74 -8.128 -10.072 -14.773 1.00 0.69 C ATOM 1278 CG GLU A 74 -9.202 -10.819 -13.998 1.00 1.45 C ATOM 1279 CD GLU A 74 -10.600 -10.373 -14.364 1.00 1.80 C ATOM 1280 OE1 GLU A 74 -11.030 -10.631 -15.508 1.00 2.31 O ATOM 1281 OE2 GLU A 74 -11.273 -9.754 -13.515 1.00 2.10 O ATOM 0 H GLU A 74 -6.118 -9.057 -15.814 1.00 0.54 H new ATOM 0 HA GLU A 74 -6.615 -10.194 -13.280 1.00 0.58 H new ATOM 0 HB2 GLU A 74 -8.280 -9.000 -14.648 1.00 0.69 H new ATOM 0 HB3 GLU A 74 -8.241 -10.288 -15.835 1.00 0.69 H new ATOM 0 HG2 GLU A 74 -9.104 -11.888 -14.188 1.00 1.45 H new ATOM 0 HG3 GLU A 74 -9.045 -10.669 -12.930 1.00 1.45 H new ATOM 1288 N GLU A 75 -5.826 -12.224 -15.699 1.00 0.54 N ATOM 1289 CA GLU A 75 -5.405 -13.582 -16.043 1.00 0.55 C ATOM 1290 C GLU A 75 -4.699 -14.278 -14.883 1.00 0.53 C ATOM 1291 O GLU A 75 -5.215 -15.243 -14.318 1.00 0.56 O ATOM 1292 CB GLU A 75 -4.483 -13.528 -17.264 1.00 0.58 C ATOM 1293 CG GLU A 75 -3.762 -14.830 -17.560 1.00 0.95 C ATOM 1294 CD GLU A 75 -2.892 -14.731 -18.792 1.00 1.29 C ATOM 1295 OE1 GLU A 75 -1.926 -13.943 -18.780 1.00 2.00 O ATOM 1296 OE2 GLU A 75 -3.183 -15.428 -19.786 1.00 1.31 O ATOM 0 H GLU A 75 -5.616 -11.536 -16.422 1.00 0.54 H new ATOM 0 HA GLU A 75 -6.298 -14.165 -16.270 1.00 0.55 H new ATOM 0 HB2 GLU A 75 -5.072 -13.246 -18.137 1.00 0.58 H new ATOM 0 HB3 GLU A 75 -3.743 -12.743 -17.111 1.00 0.58 H new ATOM 0 HG2 GLU A 75 -3.147 -15.106 -16.704 1.00 0.95 H new ATOM 0 HG3 GLU A 75 -4.494 -15.626 -17.697 1.00 0.95 H new ATOM 1303 N LYS A 76 -3.519 -13.787 -14.530 1.00 0.50 N ATOM 1304 CA LYS A 76 -2.683 -14.467 -13.565 1.00 0.51 C ATOM 1305 C LYS A 76 -3.171 -14.224 -12.151 1.00 0.55 C ATOM 1306 O LYS A 76 -3.101 -15.114 -11.307 1.00 0.57 O ATOM 1307 CB LYS A 76 -1.233 -14.023 -13.718 1.00 0.47 C ATOM 1308 CG LYS A 76 -0.632 -14.338 -15.084 1.00 1.16 C ATOM 1309 CD LYS A 76 -0.685 -15.830 -15.399 1.00 1.43 C ATOM 1310 CE LYS A 76 0.077 -16.653 -14.372 1.00 0.71 C ATOM 1311 NZ LYS A 76 -0.021 -18.112 -14.646 1.00 1.13 N ATOM 0 H LYS A 76 -3.124 -12.922 -14.899 1.00 0.50 H new ATOM 0 HA LYS A 76 -2.743 -15.538 -13.757 1.00 0.51 H new ATOM 0 HB2 LYS A 76 -1.172 -12.949 -13.544 1.00 0.47 H new ATOM 0 HB3 LYS A 76 -0.632 -14.506 -12.947 1.00 0.47 H new ATOM 0 HG2 LYS A 76 -1.171 -13.785 -15.854 1.00 1.16 H new ATOM 0 HG3 LYS A 76 0.403 -13.998 -15.112 1.00 1.16 H new ATOM 0 HD2 LYS A 76 -1.724 -16.158 -15.429 1.00 1.43 H new ATOM 0 HD3 LYS A 76 -0.266 -16.007 -16.390 1.00 1.43 H new ATOM 0 HE2 LYS A 76 1.125 -16.353 -14.372 1.00 0.71 H new ATOM 0 HE3 LYS A 76 -0.314 -16.444 -13.376 1.00 0.71 H new ATOM 0 HZ1 LYS A 76 0.052 -18.639 -13.752 1.00 1.13 H new ATOM 0 HZ2 LYS A 76 -0.935 -18.320 -15.097 1.00 1.13 H new ATOM 0 HZ3 LYS A 76 0.752 -18.399 -15.280 1.00 1.13 H new ATOM 1325 N ALA A 77 -3.675 -13.024 -11.894 1.00 0.57 N ATOM 1326 CA ALA A 77 -4.228 -12.697 -10.587 1.00 0.64 C ATOM 1327 C ALA A 77 -5.396 -13.626 -10.268 1.00 0.65 C ATOM 1328 O ALA A 77 -5.639 -13.967 -9.113 1.00 0.70 O ATOM 1329 CB ALA A 77 -4.666 -11.236 -10.543 1.00 0.68 C ATOM 0 H ALA A 77 -3.712 -12.263 -12.572 1.00 0.57 H new ATOM 0 HA ALA A 77 -3.456 -12.839 -9.830 1.00 0.64 H new ATOM 0 HB1 ALA A 77 -5.077 -11.009 -9.559 1.00 0.68 H new ATOM 0 HB2 ALA A 77 -3.807 -10.593 -10.735 1.00 0.68 H new ATOM 0 HB3 ALA A 77 -5.427 -11.061 -11.303 1.00 0.68 H new ATOM 1335 N ALA A 78 -6.098 -14.051 -11.315 1.00 0.63 N ATOM 1336 CA ALA A 78 -7.200 -14.994 -11.185 1.00 0.67 C ATOM 1337 C ALA A 78 -6.691 -16.356 -10.731 1.00 0.67 C ATOM 1338 O ALA A 78 -7.337 -17.046 -9.941 1.00 0.73 O ATOM 1339 CB ALA A 78 -7.931 -15.123 -12.514 1.00 0.66 C ATOM 0 H ALA A 78 -5.918 -13.751 -12.273 1.00 0.63 H new ATOM 0 HA ALA A 78 -7.893 -14.618 -10.432 1.00 0.67 H new ATOM 0 HB1 ALA A 78 -8.754 -15.830 -12.409 1.00 0.66 H new ATOM 0 HB2 ALA A 78 -8.324 -14.150 -12.809 1.00 0.66 H new ATOM 0 HB3 ALA A 78 -7.239 -15.482 -13.276 1.00 0.66 H new ATOM 1345 N GLU A 79 -5.521 -16.735 -11.229 1.00 0.62 N ATOM 1346 CA GLU A 79 -4.942 -18.031 -10.910 1.00 0.65 C ATOM 1347 C GLU A 79 -4.302 -18.008 -9.533 1.00 0.66 C ATOM 1348 O GLU A 79 -4.257 -19.023 -8.849 1.00 0.67 O ATOM 1349 CB GLU A 79 -3.897 -18.433 -11.949 1.00 0.65 C ATOM 1350 CG GLU A 79 -4.379 -18.282 -13.377 1.00 0.85 C ATOM 1351 CD GLU A 79 -3.523 -19.049 -14.362 1.00 0.87 C ATOM 1352 OE1 GLU A 79 -3.756 -20.263 -14.535 1.00 1.26 O ATOM 1353 OE2 GLU A 79 -2.611 -18.446 -14.960 1.00 1.33 O ATOM 0 H GLU A 79 -4.955 -16.162 -11.855 1.00 0.62 H new ATOM 0 HA GLU A 79 -5.749 -18.764 -10.918 1.00 0.65 H new ATOM 0 HB2 GLU A 79 -3.003 -17.825 -11.809 1.00 0.65 H new ATOM 0 HB3 GLU A 79 -3.607 -19.470 -11.779 1.00 0.65 H new ATOM 0 HG2 GLU A 79 -5.409 -18.630 -13.448 1.00 0.85 H new ATOM 0 HG3 GLU A 79 -4.380 -17.226 -13.647 1.00 0.85 H new ATOM 1360 N LEU A 80 -3.842 -16.836 -9.119 1.00 0.66 N ATOM 1361 CA LEU A 80 -3.237 -16.660 -7.811 1.00 0.70 C ATOM 1362 C LEU A 80 -4.301 -16.557 -6.733 1.00 0.74 C ATOM 1363 O LEU A 80 -4.128 -17.064 -5.623 1.00 0.80 O ATOM 1364 CB LEU A 80 -2.358 -15.416 -7.832 1.00 0.71 C ATOM 1365 CG LEU A 80 -1.182 -15.516 -8.797 1.00 0.66 C ATOM 1366 CD1 LEU A 80 -0.578 -14.151 -9.055 1.00 0.97 C ATOM 1367 CD2 LEU A 80 -0.146 -16.476 -8.248 1.00 0.98 C ATOM 0 H LEU A 80 -3.878 -15.985 -9.680 1.00 0.66 H new ATOM 0 HA LEU A 80 -2.622 -17.529 -7.578 1.00 0.70 H new ATOM 0 HB2 LEU A 80 -2.968 -14.555 -8.104 1.00 0.71 H new ATOM 0 HB3 LEU A 80 -1.978 -15.233 -6.827 1.00 0.71 H new ATOM 0 HG LEU A 80 -1.542 -15.901 -9.751 1.00 0.66 H new ATOM 0 HD11 LEU A 80 0.259 -14.248 -9.746 1.00 0.97 H new ATOM 0 HD12 LEU A 80 -1.333 -13.495 -9.489 1.00 0.97 H new ATOM 0 HD13 LEU A 80 -0.225 -13.726 -8.115 1.00 0.97 H new ATOM 0 HD21 LEU A 80 0.692 -16.543 -8.942 1.00 0.98 H new ATOM 0 HD22 LEU A 80 0.210 -16.114 -7.283 1.00 0.98 H new ATOM 0 HD23 LEU A 80 -0.594 -17.462 -8.123 1.00 0.98 H new ATOM 1379 N LYS A 81 -5.409 -15.910 -7.068 1.00 0.74 N ATOM 1380 CA LYS A 81 -6.527 -15.797 -6.150 1.00 0.79 C ATOM 1381 C LYS A 81 -7.130 -17.180 -5.918 1.00 0.77 C ATOM 1382 O LYS A 81 -7.369 -17.581 -4.778 1.00 0.79 O ATOM 1383 CB LYS A 81 -7.572 -14.821 -6.708 1.00 0.83 C ATOM 1384 CG LYS A 81 -8.499 -14.214 -5.659 1.00 1.18 C ATOM 1385 CD LYS A 81 -9.487 -15.229 -5.114 1.00 1.34 C ATOM 1386 CE LYS A 81 -10.377 -14.626 -4.043 1.00 1.68 C ATOM 1387 NZ LYS A 81 -11.337 -15.623 -3.507 1.00 2.12 N ATOM 0 H LYS A 81 -5.555 -15.456 -7.970 1.00 0.74 H new ATOM 0 HA LYS A 81 -6.181 -15.403 -5.194 1.00 0.79 H new ATOM 0 HB2 LYS A 81 -7.055 -14.014 -7.228 1.00 0.83 H new ATOM 0 HB3 LYS A 81 -8.177 -15.342 -7.450 1.00 0.83 H new ATOM 0 HG2 LYS A 81 -7.904 -13.812 -4.839 1.00 1.18 H new ATOM 0 HG3 LYS A 81 -9.044 -13.378 -6.098 1.00 1.18 H new ATOM 0 HD2 LYS A 81 -10.104 -15.610 -5.928 1.00 1.34 H new ATOM 0 HD3 LYS A 81 -8.945 -16.079 -4.700 1.00 1.34 H new ATOM 0 HE2 LYS A 81 -9.760 -14.240 -3.231 1.00 1.68 H new ATOM 0 HE3 LYS A 81 -10.924 -13.779 -4.458 1.00 1.68 H new ATOM 0 HZ1 LYS A 81 -11.697 -15.298 -2.587 1.00 2.12 H new ATOM 0 HZ2 LYS A 81 -12.130 -15.733 -4.170 1.00 2.12 H new ATOM 0 HZ3 LYS A 81 -10.857 -16.538 -3.387 1.00 2.12 H new ATOM 1401 N ASN A 82 -7.347 -17.917 -7.004 1.00 0.75 N ATOM 1402 CA ASN A 82 -7.863 -19.279 -6.905 1.00 0.75 C ATOM 1403 C ASN A 82 -6.835 -20.167 -6.214 1.00 0.74 C ATOM 1404 O ASN A 82 -7.204 -21.013 -5.400 1.00 0.80 O ATOM 1405 CB ASN A 82 -8.205 -19.846 -8.286 1.00 0.73 C ATOM 1406 CG ASN A 82 -8.825 -21.236 -8.229 1.00 0.87 C ATOM 1407 OD1 ASN A 82 -8.577 -22.073 -9.097 1.00 1.42 O ATOM 1408 ND2 ASN A 82 -9.661 -21.492 -7.228 1.00 1.54 N ATOM 0 H ASN A 82 -7.175 -17.597 -7.957 1.00 0.75 H new ATOM 0 HA ASN A 82 -8.780 -19.256 -6.317 1.00 0.75 H new ATOM 0 HB2 ASN A 82 -8.895 -19.168 -8.789 1.00 0.73 H new ATOM 0 HB3 ASN A 82 -7.299 -19.884 -8.890 1.00 0.73 H new ATOM 0 HD21 ASN A 82 -10.117 -22.402 -7.164 1.00 1.54 H new ATOM 0 HD22 ASN A 82 -9.847 -20.778 -6.523 1.00 1.54 H new ATOM 1415 N LEU A 83 -5.559 -19.982 -6.535 1.00 0.72 N ATOM 1416 CA LEU A 83 -4.500 -20.754 -5.907 1.00 0.72 C ATOM 1417 C LEU A 83 -4.589 -20.622 -4.395 1.00 0.74 C ATOM 1418 O LEU A 83 -4.549 -21.618 -3.672 1.00 0.77 O ATOM 1419 CB LEU A 83 -3.137 -20.265 -6.400 1.00 0.75 C ATOM 1420 CG LEU A 83 -2.317 -21.285 -7.191 1.00 0.73 C ATOM 1421 CD1 LEU A 83 -1.209 -20.589 -7.966 1.00 1.05 C ATOM 1422 CD2 LEU A 83 -1.730 -22.339 -6.267 1.00 1.37 C ATOM 0 H LEU A 83 -5.236 -19.304 -7.226 1.00 0.72 H new ATOM 0 HA LEU A 83 -4.616 -21.804 -6.176 1.00 0.72 H new ATOM 0 HB2 LEU A 83 -3.291 -19.385 -7.025 1.00 0.75 H new ATOM 0 HB3 LEU A 83 -2.552 -19.945 -5.538 1.00 0.75 H new ATOM 0 HG LEU A 83 -2.982 -21.780 -7.899 1.00 0.73 H new ATOM 0 HD11 LEU A 83 -0.635 -21.329 -8.524 1.00 1.05 H new ATOM 0 HD12 LEU A 83 -1.646 -19.871 -8.660 1.00 1.05 H new ATOM 0 HD13 LEU A 83 -0.551 -20.068 -7.271 1.00 1.05 H new ATOM 0 HD21 LEU A 83 -1.151 -23.054 -6.852 1.00 1.37 H new ATOM 0 HD22 LEU A 83 -1.081 -21.860 -5.534 1.00 1.37 H new ATOM 0 HD23 LEU A 83 -2.536 -22.861 -5.752 1.00 1.37 H new ATOM 1434 N LYS A 84 -4.770 -19.389 -3.935 1.00 0.76 N ATOM 1435 CA LYS A 84 -4.860 -19.096 -2.511 1.00 0.81 C ATOM 1436 C LYS A 84 -5.991 -19.890 -1.857 1.00 0.83 C ATOM 1437 O LYS A 84 -5.765 -20.624 -0.894 1.00 0.87 O ATOM 1438 CB LYS A 84 -5.080 -17.598 -2.296 1.00 0.88 C ATOM 1439 CG LYS A 84 -5.290 -17.216 -0.841 1.00 0.96 C ATOM 1440 CD LYS A 84 -5.579 -15.733 -0.695 1.00 1.19 C ATOM 1441 CE LYS A 84 -5.945 -15.383 0.736 1.00 1.54 C ATOM 1442 NZ LYS A 84 -6.322 -13.955 0.879 1.00 2.27 N ATOM 0 H LYS A 84 -4.858 -18.569 -4.536 1.00 0.76 H new ATOM 0 HA LYS A 84 -3.921 -19.392 -2.043 1.00 0.81 H new ATOM 0 HB2 LYS A 84 -4.220 -17.054 -2.685 1.00 0.88 H new ATOM 0 HB3 LYS A 84 -5.947 -17.280 -2.875 1.00 0.88 H new ATOM 0 HG2 LYS A 84 -6.118 -17.792 -0.428 1.00 0.96 H new ATOM 0 HG3 LYS A 84 -4.402 -17.474 -0.264 1.00 0.96 H new ATOM 0 HD2 LYS A 84 -4.705 -15.158 -1.001 1.00 1.19 H new ATOM 0 HD3 LYS A 84 -6.395 -15.452 -1.361 1.00 1.19 H new ATOM 0 HE2 LYS A 84 -6.774 -16.011 1.062 1.00 1.54 H new ATOM 0 HE3 LYS A 84 -5.101 -15.603 1.390 1.00 1.54 H new ATOM 0 HZ1 LYS A 84 -6.565 -13.758 1.871 1.00 2.27 H new ATOM 0 HZ2 LYS A 84 -5.523 -13.355 0.592 1.00 2.27 H new ATOM 0 HZ3 LYS A 84 -7.143 -13.751 0.274 1.00 2.27 H new ATOM 1456 N ASP A 85 -7.202 -19.753 -2.390 1.00 0.84 N ATOM 1457 CA ASP A 85 -8.365 -20.448 -1.838 1.00 0.91 C ATOM 1458 C ASP A 85 -8.285 -21.957 -2.058 1.00 0.90 C ATOM 1459 O ASP A 85 -8.962 -22.722 -1.375 1.00 0.94 O ATOM 1460 CB ASP A 85 -9.661 -19.906 -2.446 1.00 0.98 C ATOM 1461 CG ASP A 85 -10.060 -18.565 -1.862 1.00 1.59 C ATOM 1462 OD1 ASP A 85 -10.627 -18.533 -0.752 1.00 1.48 O ATOM 1463 OD2 ASP A 85 -9.802 -17.529 -2.512 1.00 2.52 O ATOM 0 H ASP A 85 -7.405 -19.169 -3.201 1.00 0.84 H new ATOM 0 HA ASP A 85 -8.366 -20.262 -0.764 1.00 0.91 H new ATOM 0 HB2 ASP A 85 -9.539 -19.807 -3.525 1.00 0.98 H new ATOM 0 HB3 ASP A 85 -10.464 -20.624 -2.281 1.00 0.98 H new ATOM 1468 N SER A 86 -7.461 -22.388 -3.002 1.00 0.86 N ATOM 1469 CA SER A 86 -7.251 -23.816 -3.221 1.00 0.90 C ATOM 1470 C SER A 86 -6.249 -24.369 -2.210 1.00 0.84 C ATOM 1471 O SER A 86 -6.090 -25.583 -2.077 1.00 0.96 O ATOM 1472 CB SER A 86 -6.765 -24.080 -4.648 1.00 0.97 C ATOM 1473 OG SER A 86 -7.710 -23.622 -5.603 1.00 1.52 O ATOM 0 H SER A 86 -6.931 -21.778 -3.624 1.00 0.86 H new ATOM 0 HA SER A 86 -8.205 -24.326 -3.083 1.00 0.90 H new ATOM 0 HB2 SER A 86 -5.810 -23.580 -4.808 1.00 0.97 H new ATOM 0 HB3 SER A 86 -6.593 -25.148 -4.785 1.00 0.97 H new ATOM 0 HG SER A 86 -7.510 -22.693 -5.842 1.00 1.52 H new ATOM 1479 N GLY A 87 -5.582 -23.472 -1.494 1.00 0.80 N ATOM 1480 CA GLY A 87 -4.707 -23.892 -0.419 1.00 0.88 C ATOM 1481 C GLY A 87 -3.281 -23.410 -0.584 1.00 0.82 C ATOM 1482 O GLY A 87 -2.419 -23.784 0.212 1.00 0.92 O ATOM 0 H GLY A 87 -5.632 -22.464 -1.639 1.00 0.80 H new ATOM 0 HA2 GLY A 87 -5.101 -23.521 0.527 1.00 0.88 H new ATOM 0 HA3 GLY A 87 -4.711 -24.980 -0.361 1.00 0.88 H new ATOM 1486 N ALA A 88 -3.014 -22.606 -1.613 1.00 0.76 N ATOM 1487 CA ALA A 88 -1.662 -22.102 -1.835 1.00 0.76 C ATOM 1488 C ALA A 88 -1.156 -21.405 -0.587 1.00 0.80 C ATOM 1489 O ALA A 88 -1.788 -20.489 -0.054 1.00 0.83 O ATOM 1490 CB ALA A 88 -1.633 -21.130 -3.000 1.00 0.76 C ATOM 0 H ALA A 88 -3.705 -22.294 -2.296 1.00 0.76 H new ATOM 0 HA ALA A 88 -1.018 -22.950 -2.068 1.00 0.76 H new ATOM 0 HB1 ALA A 88 -0.615 -20.768 -3.146 1.00 0.76 H new ATOM 0 HB2 ALA A 88 -1.972 -21.636 -3.904 1.00 0.76 H new ATOM 0 HB3 ALA A 88 -2.291 -20.287 -2.787 1.00 0.76 H new ATOM 1496 N SER A 89 -0.010 -21.868 -0.135 1.00 0.81 N ATOM 1497 CA SER A 89 0.672 -21.275 0.995 1.00 0.86 C ATOM 1498 C SER A 89 1.220 -19.906 0.601 1.00 0.78 C ATOM 1499 O SER A 89 1.307 -19.587 -0.593 1.00 0.77 O ATOM 1500 CB SER A 89 1.803 -22.194 1.471 1.00 0.93 C ATOM 1501 OG SER A 89 2.469 -21.656 2.601 1.00 1.60 O ATOM 0 H SER A 89 0.476 -22.668 -0.542 1.00 0.81 H new ATOM 0 HA SER A 89 -0.033 -21.148 1.816 1.00 0.86 H new ATOM 0 HB2 SER A 89 1.396 -23.174 1.720 1.00 0.93 H new ATOM 0 HB3 SER A 89 2.518 -22.341 0.662 1.00 0.93 H new ATOM 0 HG SER A 89 3.183 -22.266 2.881 1.00 1.60 H new ATOM 1507 N LYS A 90 1.592 -19.104 1.590 1.00 0.76 N ATOM 1508 CA LYS A 90 2.165 -17.787 1.335 1.00 0.74 C ATOM 1509 C LYS A 90 3.381 -17.889 0.418 1.00 0.69 C ATOM 1510 O LYS A 90 3.697 -16.956 -0.310 1.00 0.67 O ATOM 1511 CB LYS A 90 2.554 -17.111 2.652 1.00 0.81 C ATOM 1512 CG LYS A 90 1.361 -16.616 3.453 1.00 1.29 C ATOM 1513 CD LYS A 90 1.772 -16.050 4.804 1.00 1.77 C ATOM 1514 CE LYS A 90 2.311 -17.128 5.730 1.00 2.22 C ATOM 1515 NZ LYS A 90 2.602 -16.601 7.089 1.00 2.96 N ATOM 0 H LYS A 90 1.507 -19.342 2.578 1.00 0.76 H new ATOM 0 HA LYS A 90 1.409 -17.180 0.836 1.00 0.74 H new ATOM 0 HB2 LYS A 90 3.123 -17.815 3.259 1.00 0.81 H new ATOM 0 HB3 LYS A 90 3.213 -16.270 2.439 1.00 0.81 H new ATOM 0 HG2 LYS A 90 0.836 -15.849 2.884 1.00 1.29 H new ATOM 0 HG3 LYS A 90 0.660 -17.437 3.603 1.00 1.29 H new ATOM 0 HD2 LYS A 90 2.532 -15.282 4.660 1.00 1.77 H new ATOM 0 HD3 LYS A 90 0.914 -15.566 5.271 1.00 1.77 H new ATOM 0 HE2 LYS A 90 1.586 -17.939 5.803 1.00 2.22 H new ATOM 0 HE3 LYS A 90 3.220 -17.551 5.303 1.00 2.22 H new ATOM 0 HZ1 LYS A 90 2.967 -17.369 7.688 1.00 2.96 H new ATOM 0 HZ2 LYS A 90 3.313 -15.845 7.023 1.00 2.96 H new ATOM 0 HZ3 LYS A 90 1.730 -16.220 7.508 1.00 2.96 H new ATOM 1529 N GLU A 91 4.037 -19.039 0.441 1.00 0.71 N ATOM 1530 CA GLU A 91 5.217 -19.260 -0.379 1.00 0.70 C ATOM 1531 C GLU A 91 4.854 -19.437 -1.851 1.00 0.67 C ATOM 1532 O GLU A 91 5.576 -18.987 -2.729 1.00 0.67 O ATOM 1533 CB GLU A 91 5.985 -20.478 0.122 1.00 0.73 C ATOM 1534 CG GLU A 91 6.473 -20.335 1.551 1.00 1.30 C ATOM 1535 CD GLU A 91 7.280 -21.529 2.008 1.00 1.74 C ATOM 1536 OE1 GLU A 91 8.474 -21.608 1.658 1.00 2.10 O ATOM 1537 OE2 GLU A 91 6.723 -22.394 2.712 1.00 2.34 O ATOM 0 H GLU A 91 3.771 -19.835 1.020 1.00 0.71 H new ATOM 0 HA GLU A 91 5.849 -18.376 -0.296 1.00 0.70 H new ATOM 0 HB2 GLU A 91 5.344 -21.357 0.051 1.00 0.73 H new ATOM 0 HB3 GLU A 91 6.840 -20.653 -0.531 1.00 0.73 H new ATOM 0 HG2 GLU A 91 7.082 -19.435 1.635 1.00 1.30 H new ATOM 0 HG3 GLU A 91 5.617 -20.204 2.213 1.00 1.30 H new ATOM 1544 N GLU A 92 3.744 -20.116 -2.125 1.00 0.66 N ATOM 1545 CA GLU A 92 3.288 -20.363 -3.474 1.00 0.65 C ATOM 1546 C GLU A 92 2.891 -19.044 -4.102 1.00 0.60 C ATOM 1547 O GLU A 92 3.065 -18.827 -5.290 1.00 0.57 O ATOM 1548 CB GLU A 92 2.089 -21.291 -3.430 1.00 0.69 C ATOM 1549 CG GLU A 92 2.317 -22.538 -2.602 1.00 0.74 C ATOM 1550 CD GLU A 92 3.197 -23.555 -3.298 1.00 1.06 C ATOM 1551 OE1 GLU A 92 4.318 -23.193 -3.704 1.00 1.45 O ATOM 1552 OE2 GLU A 92 2.775 -24.722 -3.439 1.00 1.10 O ATOM 0 H GLU A 92 3.137 -20.510 -1.406 1.00 0.66 H new ATOM 0 HA GLU A 92 4.080 -20.826 -4.063 1.00 0.65 H new ATOM 0 HB2 GLU A 92 1.235 -20.748 -3.026 1.00 0.69 H new ATOM 0 HB3 GLU A 92 1.829 -21.583 -4.447 1.00 0.69 H new ATOM 0 HG2 GLU A 92 2.774 -22.259 -1.653 1.00 0.74 H new ATOM 0 HG3 GLU A 92 1.355 -22.995 -2.371 1.00 0.74 H new ATOM 1559 N LEU A 93 2.377 -18.166 -3.264 1.00 0.61 N ATOM 1560 CA LEU A 93 2.140 -16.785 -3.659 1.00 0.60 C ATOM 1561 C LEU A 93 3.494 -16.120 -3.795 1.00 0.61 C ATOM 1562 O LEU A 93 3.726 -15.441 -4.782 1.00 0.64 O ATOM 1563 CB LEU A 93 1.246 -16.086 -2.629 1.00 0.64 C ATOM 1564 CG LEU A 93 -0.250 -16.457 -2.664 1.00 0.69 C ATOM 1565 CD1 LEU A 93 -0.975 -15.677 -3.748 1.00 1.08 C ATOM 1566 CD2 LEU A 93 -0.470 -17.947 -2.881 1.00 1.07 C ATOM 0 H LEU A 93 2.114 -18.381 -2.302 1.00 0.61 H new ATOM 0 HA LEU A 93 1.612 -16.725 -4.611 1.00 0.60 H new ATOM 0 HB2 LEU A 93 1.631 -16.308 -1.634 1.00 0.64 H new ATOM 0 HB3 LEU A 93 1.336 -15.009 -2.772 1.00 0.64 H new ATOM 0 HG LEU A 93 -0.658 -16.193 -1.688 1.00 0.69 H new ATOM 0 HD11 LEU A 93 -2.029 -15.955 -3.754 1.00 1.08 H new ATOM 0 HD12 LEU A 93 -0.883 -14.609 -3.551 1.00 1.08 H new ATOM 0 HD13 LEU A 93 -0.534 -15.906 -4.718 1.00 1.08 H new ATOM 0 HD21 LEU A 93 -1.539 -18.158 -2.898 1.00 1.07 H new ATOM 0 HD22 LEU A 93 -0.026 -18.246 -3.830 1.00 1.07 H new ATOM 0 HD23 LEU A 93 -0.003 -18.506 -2.070 1.00 1.07 H new ATOM 1578 N LYS A 94 4.404 -16.332 -2.870 1.00 0.61 N ATOM 1579 CA LYS A 94 5.653 -15.583 -2.849 1.00 0.61 C ATOM 1580 C LYS A 94 6.494 -15.907 -4.059 1.00 0.66 C ATOM 1581 O LYS A 94 7.103 -15.029 -4.668 1.00 0.72 O ATOM 1582 CB LYS A 94 6.440 -15.909 -1.576 1.00 0.64 C ATOM 1583 CG LYS A 94 7.780 -15.196 -1.474 1.00 0.69 C ATOM 1584 CD LYS A 94 8.633 -15.772 -0.355 1.00 1.16 C ATOM 1585 CE LYS A 94 10.017 -15.146 -0.331 1.00 1.38 C ATOM 1586 NZ LYS A 94 10.904 -15.793 0.671 1.00 2.06 N ATOM 0 H LYS A 94 4.308 -17.016 -2.120 1.00 0.61 H new ATOM 0 HA LYS A 94 5.412 -14.520 -2.866 1.00 0.61 H new ATOM 0 HB2 LYS A 94 5.834 -15.646 -0.709 1.00 0.64 H new ATOM 0 HB3 LYS A 94 6.609 -16.985 -1.532 1.00 0.64 H new ATOM 0 HG2 LYS A 94 8.313 -15.283 -2.421 1.00 0.69 H new ATOM 0 HG3 LYS A 94 7.615 -14.133 -1.297 1.00 0.69 H new ATOM 0 HD2 LYS A 94 8.140 -15.604 0.603 1.00 1.16 H new ATOM 0 HD3 LYS A 94 8.723 -16.851 -0.483 1.00 1.16 H new ATOM 0 HE2 LYS A 94 10.468 -15.226 -1.320 1.00 1.38 H new ATOM 0 HE3 LYS A 94 9.930 -14.083 -0.106 1.00 1.38 H new ATOM 0 HZ1 LYS A 94 11.838 -15.336 0.654 1.00 2.06 H new ATOM 0 HZ2 LYS A 94 10.487 -15.695 1.619 1.00 2.06 H new ATOM 0 HZ3 LYS A 94 11.008 -16.802 0.442 1.00 2.06 H new ATOM 1600 N ALA A 95 6.513 -17.171 -4.400 1.00 0.67 N ATOM 1601 CA ALA A 95 7.353 -17.646 -5.464 1.00 0.73 C ATOM 1602 C ALA A 95 6.653 -17.599 -6.812 1.00 0.73 C ATOM 1603 O ALA A 95 7.174 -17.029 -7.767 1.00 0.93 O ATOM 1604 CB ALA A 95 7.838 -19.054 -5.158 1.00 0.77 C ATOM 0 H ALA A 95 5.950 -17.893 -3.950 1.00 0.67 H new ATOM 0 HA ALA A 95 8.212 -16.978 -5.529 1.00 0.73 H new ATOM 0 HB1 ALA A 95 8.474 -19.404 -5.971 1.00 0.77 H new ATOM 0 HB2 ALA A 95 8.407 -19.049 -4.228 1.00 0.77 H new ATOM 0 HB3 ALA A 95 6.981 -19.720 -5.055 1.00 0.77 H new ATOM 1610 N LYS A 96 5.467 -18.202 -6.894 1.00 0.70 N ATOM 1611 CA LYS A 96 4.757 -18.283 -8.166 1.00 0.76 C ATOM 1612 C LYS A 96 4.299 -16.913 -8.663 1.00 0.58 C ATOM 1613 O LYS A 96 3.988 -16.733 -9.839 1.00 0.55 O ATOM 1614 CB LYS A 96 3.564 -19.231 -8.067 1.00 1.02 C ATOM 1615 CG LYS A 96 3.872 -20.642 -8.556 1.00 1.75 C ATOM 1616 CD LYS A 96 5.201 -21.159 -8.020 1.00 2.07 C ATOM 1617 CE LYS A 96 5.115 -21.569 -6.560 1.00 2.92 C ATOM 1618 NZ LYS A 96 4.269 -22.777 -6.372 1.00 3.11 N ATOM 0 H LYS A 96 4.985 -18.635 -6.106 1.00 0.70 H new ATOM 0 HA LYS A 96 5.465 -18.678 -8.894 1.00 0.76 H new ATOM 0 HB2 LYS A 96 3.231 -19.278 -7.030 1.00 1.02 H new ATOM 0 HB3 LYS A 96 2.737 -18.825 -8.649 1.00 1.02 H new ATOM 0 HG2 LYS A 96 3.071 -21.314 -8.248 1.00 1.75 H new ATOM 0 HG3 LYS A 96 3.894 -20.651 -9.646 1.00 1.75 H new ATOM 0 HD2 LYS A 96 5.523 -22.013 -8.616 1.00 2.07 H new ATOM 0 HD3 LYS A 96 5.961 -20.386 -8.134 1.00 2.07 H new ATOM 0 HE2 LYS A 96 6.117 -21.765 -6.178 1.00 2.92 H new ATOM 0 HE3 LYS A 96 4.706 -20.745 -5.975 1.00 2.92 H new ATOM 0 HZ1 LYS A 96 4.520 -23.240 -5.475 1.00 3.11 H new ATOM 0 HZ2 LYS A 96 3.267 -22.499 -6.350 1.00 3.11 H new ATOM 0 HZ3 LYS A 96 4.428 -23.438 -7.159 1.00 3.11 H new ATOM 1632 N VAL A 97 4.273 -15.942 -7.751 1.00 0.62 N ATOM 1633 CA VAL A 97 4.004 -14.566 -8.122 1.00 0.57 C ATOM 1634 C VAL A 97 5.154 -14.038 -8.977 1.00 0.54 C ATOM 1635 O VAL A 97 4.952 -13.272 -9.913 1.00 0.59 O ATOM 1636 CB VAL A 97 3.803 -13.673 -6.884 1.00 0.60 C ATOM 1637 CG1 VAL A 97 5.040 -12.881 -6.612 1.00 0.97 C ATOM 1638 CG2 VAL A 97 2.611 -12.763 -7.066 1.00 0.93 C ATOM 0 H VAL A 97 4.435 -16.089 -6.755 1.00 0.62 H new ATOM 0 HA VAL A 97 3.077 -14.540 -8.695 1.00 0.57 H new ATOM 0 HB VAL A 97 3.607 -14.313 -6.024 1.00 0.60 H new ATOM 0 HG11 VAL A 97 4.885 -12.254 -5.734 1.00 0.97 H new ATOM 0 HG12 VAL A 97 5.874 -13.559 -6.430 1.00 0.97 H new ATOM 0 HG13 VAL A 97 5.265 -12.251 -7.473 1.00 0.97 H new ATOM 0 HG21 VAL A 97 2.489 -12.142 -6.179 1.00 0.93 H new ATOM 0 HG22 VAL A 97 2.769 -12.126 -7.936 1.00 0.93 H new ATOM 0 HG23 VAL A 97 1.714 -13.364 -7.215 1.00 0.93 H new ATOM 1648 N GLU A 98 6.356 -14.514 -8.677 1.00 0.53 N ATOM 1649 CA GLU A 98 7.568 -14.012 -9.301 1.00 0.57 C ATOM 1650 C GLU A 98 7.752 -14.569 -10.704 1.00 0.52 C ATOM 1651 O GLU A 98 8.454 -13.976 -11.520 1.00 0.53 O ATOM 1652 CB GLU A 98 8.771 -14.359 -8.429 1.00 0.68 C ATOM 1653 CG GLU A 98 8.773 -13.623 -7.101 1.00 0.81 C ATOM 1654 CD GLU A 98 9.021 -12.137 -7.261 1.00 1.31 C ATOM 1655 OE1 GLU A 98 10.147 -11.756 -7.659 1.00 1.65 O ATOM 1656 OE2 GLU A 98 8.103 -11.343 -6.979 1.00 2.03 O ATOM 0 H GLU A 98 6.515 -15.257 -7.996 1.00 0.53 H new ATOM 0 HA GLU A 98 7.481 -12.929 -9.391 1.00 0.57 H new ATOM 0 HB2 GLU A 98 8.780 -15.433 -8.243 1.00 0.68 H new ATOM 0 HB3 GLU A 98 9.686 -14.122 -8.971 1.00 0.68 H new ATOM 0 HG2 GLU A 98 7.816 -13.777 -6.603 1.00 0.81 H new ATOM 0 HG3 GLU A 98 9.541 -14.049 -6.455 1.00 0.81 H new ATOM 1663 N GLU A 99 7.126 -15.704 -10.983 1.00 0.49 N ATOM 1664 CA GLU A 99 7.178 -16.292 -12.318 1.00 0.49 C ATOM 1665 C GLU A 99 6.176 -15.596 -13.220 1.00 0.48 C ATOM 1666 O GLU A 99 6.418 -15.401 -14.412 1.00 0.51 O ATOM 1667 CB GLU A 99 6.910 -17.793 -12.257 1.00 0.52 C ATOM 1668 CG GLU A 99 5.451 -18.138 -12.117 1.00 0.91 C ATOM 1669 CD GLU A 99 5.176 -19.621 -12.230 1.00 1.68 C ATOM 1670 OE1 GLU A 99 5.549 -20.371 -11.307 1.00 2.48 O ATOM 1671 OE2 GLU A 99 4.578 -20.044 -13.237 1.00 1.82 O ATOM 0 H GLU A 99 6.578 -16.236 -10.307 1.00 0.49 H new ATOM 0 HA GLU A 99 8.177 -16.152 -12.731 1.00 0.49 H new ATOM 0 HB2 GLU A 99 7.301 -18.261 -13.161 1.00 0.52 H new ATOM 0 HB3 GLU A 99 7.458 -18.218 -11.416 1.00 0.52 H new ATOM 0 HG2 GLU A 99 5.091 -17.781 -11.152 1.00 0.91 H new ATOM 0 HG3 GLU A 99 4.884 -17.610 -12.884 1.00 0.91 H new ATOM 1678 N ALA A 100 5.059 -15.206 -12.634 1.00 0.49 N ATOM 1679 CA ALA A 100 4.068 -14.414 -13.333 1.00 0.55 C ATOM 1680 C ALA A 100 4.620 -13.016 -13.593 1.00 0.54 C ATOM 1681 O ALA A 100 4.633 -12.540 -14.726 1.00 0.58 O ATOM 1682 CB ALA A 100 2.781 -14.360 -12.528 1.00 0.63 C ATOM 0 H ALA A 100 4.816 -15.428 -11.669 1.00 0.49 H new ATOM 0 HA ALA A 100 3.841 -14.876 -14.294 1.00 0.55 H new ATOM 0 HB1 ALA A 100 2.043 -13.762 -13.062 1.00 0.63 H new ATOM 0 HB2 ALA A 100 2.397 -15.370 -12.388 1.00 0.63 H new ATOM 0 HB3 ALA A 100 2.979 -13.909 -11.556 1.00 0.63 H new ATOM 1688 N LEU A 101 5.100 -12.380 -12.528 1.00 0.51 N ATOM 1689 CA LEU A 101 5.773 -11.101 -12.616 1.00 0.53 C ATOM 1690 C LEU A 101 7.101 -11.183 -13.374 1.00 0.51 C ATOM 1691 O LEU A 101 7.755 -10.166 -13.598 1.00 0.53 O ATOM 1692 CB LEU A 101 6.003 -10.557 -11.208 1.00 0.53 C ATOM 1693 CG LEU A 101 4.821 -9.803 -10.595 1.00 0.66 C ATOM 1694 CD1 LEU A 101 3.553 -10.638 -10.577 1.00 1.40 C ATOM 1695 CD2 LEU A 101 5.161 -9.338 -9.192 1.00 1.28 C ATOM 0 H LEU A 101 5.029 -12.745 -11.578 1.00 0.51 H new ATOM 0 HA LEU A 101 5.131 -10.427 -13.183 1.00 0.53 H new ATOM 0 HB2 LEU A 101 6.261 -11.389 -10.553 1.00 0.53 H new ATOM 0 HB3 LEU A 101 6.865 -9.890 -11.231 1.00 0.53 H new ATOM 0 HG LEU A 101 4.631 -8.936 -11.227 1.00 0.66 H new ATOM 0 HD11 LEU A 101 2.743 -10.060 -10.133 1.00 1.40 H new ATOM 0 HD12 LEU A 101 3.285 -10.914 -11.597 1.00 1.40 H new ATOM 0 HD13 LEU A 101 3.720 -11.540 -9.988 1.00 1.40 H new ATOM 0 HD21 LEU A 101 4.310 -8.803 -8.770 1.00 1.28 H new ATOM 0 HD22 LEU A 101 5.393 -10.202 -8.569 1.00 1.28 H new ATOM 0 HD23 LEU A 101 6.025 -8.674 -9.228 1.00 1.28 H new ATOM 1707 N HIS A 102 7.516 -12.380 -13.762 1.00 0.51 N ATOM 1708 CA HIS A 102 8.673 -12.503 -14.630 1.00 0.53 C ATOM 1709 C HIS A 102 8.184 -12.468 -16.068 1.00 0.56 C ATOM 1710 O HIS A 102 8.689 -11.709 -16.888 1.00 0.57 O ATOM 1711 CB HIS A 102 9.448 -13.785 -14.353 1.00 0.55 C ATOM 1712 CG HIS A 102 10.877 -13.717 -14.774 1.00 1.07 C ATOM 1713 ND1 HIS A 102 11.329 -14.128 -16.008 1.00 1.95 N ATOM 1714 CD2 HIS A 102 11.964 -13.277 -14.106 1.00 1.39 C ATOM 1715 CE1 HIS A 102 12.633 -13.942 -16.078 1.00 2.48 C ATOM 1716 NE2 HIS A 102 13.042 -13.424 -14.937 1.00 2.14 N ATOM 0 H HIS A 102 7.078 -13.262 -13.495 1.00 0.51 H new ATOM 0 HA HIS A 102 9.360 -11.677 -14.442 1.00 0.53 H new ATOM 0 HB2 HIS A 102 9.401 -14.005 -13.287 1.00 0.55 H new ATOM 0 HB3 HIS A 102 8.963 -14.613 -14.871 1.00 0.55 H new ATOM 0 HD2 HIS A 102 11.980 -12.882 -13.101 1.00 1.39 H new ATOM 0 HE1 HIS A 102 13.259 -14.175 -16.926 1.00 2.48 H new ATOM 0 HE2 HIS A 102 14.004 -13.174 -14.710 1.00 2.14 H new ATOM 1725 N ALA A 103 7.184 -13.296 -16.348 1.00 0.58 N ATOM 1726 CA ALA A 103 6.724 -13.559 -17.708 1.00 0.61 C ATOM 1727 C ALA A 103 6.132 -12.323 -18.389 1.00 0.61 C ATOM 1728 O ALA A 103 5.944 -12.311 -19.609 1.00 0.64 O ATOM 1729 CB ALA A 103 5.710 -14.687 -17.664 1.00 0.63 C ATOM 0 H ALA A 103 6.666 -13.807 -15.634 1.00 0.58 H new ATOM 0 HA ALA A 103 7.587 -13.844 -18.310 1.00 0.61 H new ATOM 0 HB1 ALA A 103 5.355 -14.897 -18.673 1.00 0.63 H new ATOM 0 HB2 ALA A 103 6.178 -15.581 -17.250 1.00 0.63 H new ATOM 0 HB3 ALA A 103 4.868 -14.395 -17.037 1.00 0.63 H new ATOM 1735 N VAL A 104 5.862 -11.285 -17.615 1.00 0.60 N ATOM 1736 CA VAL A 104 5.195 -10.115 -18.117 1.00 0.63 C ATOM 1737 C VAL A 104 6.090 -9.315 -19.074 1.00 0.76 C ATOM 1738 O VAL A 104 5.788 -9.210 -20.259 1.00 1.68 O ATOM 1739 CB VAL A 104 4.675 -9.264 -16.940 1.00 0.57 C ATOM 1740 CG1 VAL A 104 5.666 -9.252 -15.801 1.00 0.60 C ATOM 1741 CG2 VAL A 104 4.353 -7.851 -17.367 1.00 0.51 C ATOM 0 H VAL A 104 6.102 -11.238 -16.625 1.00 0.60 H new ATOM 0 HA VAL A 104 4.335 -10.428 -18.709 1.00 0.63 H new ATOM 0 HB VAL A 104 3.751 -9.728 -16.595 1.00 0.57 H new ATOM 0 HG11 VAL A 104 5.275 -8.645 -14.985 1.00 0.60 H new ATOM 0 HG12 VAL A 104 5.829 -10.271 -15.450 1.00 0.60 H new ATOM 0 HG13 VAL A 104 6.611 -8.831 -16.145 1.00 0.60 H new ATOM 0 HG21 VAL A 104 3.990 -7.285 -16.509 1.00 0.51 H new ATOM 0 HG22 VAL A 104 5.252 -7.376 -17.761 1.00 0.51 H new ATOM 0 HG23 VAL A 104 3.585 -7.871 -18.140 1.00 0.51 H new ATOM 1751 N THR A 105 7.149 -8.714 -18.530 1.00 0.77 N ATOM 1752 CA THR A 105 8.224 -8.082 -19.314 1.00 0.79 C ATOM 1753 C THR A 105 7.768 -6.822 -20.049 1.00 0.75 C ATOM 1754 O THR A 105 8.506 -6.283 -20.871 1.00 0.95 O ATOM 1755 CB THR A 105 8.896 -9.060 -20.317 1.00 0.94 C ATOM 1756 OG1 THR A 105 8.011 -9.409 -21.389 1.00 0.88 O ATOM 1757 CG2 THR A 105 9.339 -10.326 -19.607 1.00 1.03 C ATOM 0 H THR A 105 7.291 -8.649 -17.522 1.00 0.77 H new ATOM 0 HA THR A 105 8.967 -7.790 -18.572 1.00 0.79 H new ATOM 0 HB THR A 105 9.763 -8.548 -20.735 1.00 0.94 H new ATOM 0 HG1 THR A 105 7.123 -9.033 -21.215 1.00 0.88 H new ATOM 0 HG21 THR A 105 9.808 -11.000 -20.324 1.00 1.03 H new ATOM 0 HG22 THR A 105 10.055 -10.073 -18.825 1.00 1.03 H new ATOM 0 HG23 THR A 105 8.473 -10.815 -19.161 1.00 1.03 H new ATOM 1765 N ASP A 106 6.582 -6.334 -19.732 1.00 0.77 N ATOM 1766 CA ASP A 106 6.158 -5.026 -20.207 1.00 0.79 C ATOM 1767 C ASP A 106 6.699 -3.946 -19.288 1.00 0.73 C ATOM 1768 O ASP A 106 6.562 -4.036 -18.072 1.00 0.72 O ATOM 1769 CB ASP A 106 4.628 -4.927 -20.239 1.00 0.79 C ATOM 1770 CG ASP A 106 4.138 -3.548 -20.648 1.00 1.35 C ATOM 1771 OD1 ASP A 106 4.030 -2.663 -19.770 1.00 2.07 O ATOM 1772 OD2 ASP A 106 3.843 -3.339 -21.844 1.00 1.38 O ATOM 0 H ASP A 106 5.898 -6.819 -19.151 1.00 0.77 H new ATOM 0 HA ASP A 106 6.546 -4.890 -21.217 1.00 0.79 H new ATOM 0 HB2 ASP A 106 4.234 -5.669 -20.934 1.00 0.79 H new ATOM 0 HB3 ASP A 106 4.231 -5.171 -19.254 1.00 0.79 H new ATOM 1777 N GLU A 107 7.340 -2.952 -19.888 1.00 0.71 N ATOM 1778 CA GLU A 107 8.180 -2.003 -19.160 1.00 0.69 C ATOM 1779 C GLU A 107 7.451 -1.320 -18.011 1.00 0.66 C ATOM 1780 O GLU A 107 7.897 -1.373 -16.863 1.00 0.63 O ATOM 1781 CB GLU A 107 8.735 -0.948 -20.117 1.00 0.73 C ATOM 1782 CG GLU A 107 9.743 -1.495 -21.113 1.00 1.63 C ATOM 1783 CD GLU A 107 10.960 -2.096 -20.437 1.00 2.35 C ATOM 1784 OE1 GLU A 107 11.725 -1.342 -19.801 1.00 2.65 O ATOM 1785 OE2 GLU A 107 11.151 -3.326 -20.531 1.00 3.18 O ATOM 0 H GLU A 107 7.294 -2.779 -20.892 1.00 0.71 H new ATOM 0 HA GLU A 107 8.995 -2.581 -18.724 1.00 0.69 H new ATOM 0 HB2 GLU A 107 7.908 -0.495 -20.663 1.00 0.73 H new ATOM 0 HB3 GLU A 107 9.206 -0.155 -19.536 1.00 0.73 H new ATOM 0 HG2 GLU A 107 9.263 -2.254 -21.731 1.00 1.63 H new ATOM 0 HG3 GLU A 107 10.061 -0.694 -21.781 1.00 1.63 H new ATOM 1792 N GLU A 108 6.323 -0.697 -18.324 1.00 0.67 N ATOM 1793 CA GLU A 108 5.529 0.005 -17.328 1.00 0.66 C ATOM 1794 C GLU A 108 5.039 -0.964 -16.257 1.00 0.58 C ATOM 1795 O GLU A 108 4.963 -0.618 -15.079 1.00 0.54 O ATOM 1796 CB GLU A 108 4.346 0.691 -18.008 1.00 0.76 C ATOM 1797 CG GLU A 108 3.484 1.527 -17.077 1.00 1.46 C ATOM 1798 CD GLU A 108 2.325 2.166 -17.809 1.00 2.09 C ATOM 1799 OE1 GLU A 108 2.561 3.073 -18.633 1.00 2.78 O ATOM 1800 OE2 GLU A 108 1.167 1.782 -17.540 1.00 2.40 O ATOM 0 H GLU A 108 5.936 -0.664 -19.267 1.00 0.67 H new ATOM 0 HA GLU A 108 6.150 0.760 -16.845 1.00 0.66 H new ATOM 0 HB2 GLU A 108 4.723 1.330 -18.806 1.00 0.76 H new ATOM 0 HB3 GLU A 108 3.721 -0.069 -18.477 1.00 0.76 H new ATOM 0 HG2 GLU A 108 3.104 0.899 -16.272 1.00 1.46 H new ATOM 0 HG3 GLU A 108 4.094 2.303 -16.615 1.00 1.46 H new ATOM 1807 N LYS A 109 4.692 -2.177 -16.671 1.00 0.59 N ATOM 1808 CA LYS A 109 4.292 -3.215 -15.736 1.00 0.55 C ATOM 1809 C LYS A 109 5.458 -3.594 -14.816 1.00 0.51 C ATOM 1810 O LYS A 109 5.313 -3.639 -13.597 1.00 0.48 O ATOM 1811 CB LYS A 109 3.772 -4.440 -16.494 1.00 0.58 C ATOM 1812 CG LYS A 109 2.497 -4.168 -17.277 1.00 0.65 C ATOM 1813 CD LYS A 109 1.923 -5.434 -17.894 1.00 1.22 C ATOM 1814 CE LYS A 109 0.707 -5.135 -18.757 1.00 1.11 C ATOM 1815 NZ LYS A 109 0.112 -6.372 -19.328 1.00 1.81 N ATOM 0 H LYS A 109 4.680 -2.464 -17.650 1.00 0.59 H new ATOM 0 HA LYS A 109 3.485 -2.829 -15.113 1.00 0.55 H new ATOM 0 HB2 LYS A 109 4.544 -4.788 -17.180 1.00 0.58 H new ATOM 0 HB3 LYS A 109 3.589 -5.247 -15.784 1.00 0.58 H new ATOM 0 HG2 LYS A 109 1.755 -3.719 -16.616 1.00 0.65 H new ATOM 0 HG3 LYS A 109 2.703 -3.443 -18.064 1.00 0.65 H new ATOM 0 HD2 LYS A 109 2.687 -5.924 -18.498 1.00 1.22 H new ATOM 0 HD3 LYS A 109 1.646 -6.131 -17.103 1.00 1.22 H new ATOM 0 HE2 LYS A 109 -0.042 -4.614 -18.160 1.00 1.11 H new ATOM 0 HE3 LYS A 109 0.993 -4.463 -19.566 1.00 1.11 H new ATOM 0 HZ1 LYS A 109 -0.714 -6.124 -19.909 1.00 1.81 H new ATOM 0 HZ2 LYS A 109 0.818 -6.856 -19.918 1.00 1.81 H new ATOM 0 HZ3 LYS A 109 -0.185 -7.003 -18.556 1.00 1.81 H new ATOM 1829 N LYS A 110 6.628 -3.819 -15.396 1.00 0.53 N ATOM 1830 CA LYS A 110 7.815 -4.161 -14.611 1.00 0.53 C ATOM 1831 C LYS A 110 8.257 -3.004 -13.725 1.00 0.51 C ATOM 1832 O LYS A 110 9.070 -3.163 -12.811 1.00 0.51 O ATOM 1833 CB LYS A 110 8.992 -4.518 -15.516 1.00 0.56 C ATOM 1834 CG LYS A 110 8.856 -5.825 -16.276 1.00 0.62 C ATOM 1835 CD LYS A 110 10.174 -6.178 -16.948 1.00 0.80 C ATOM 1836 CE LYS A 110 10.497 -5.212 -18.078 1.00 0.81 C ATOM 1837 NZ LYS A 110 11.875 -5.393 -18.596 1.00 1.14 N ATOM 0 H LYS A 110 6.785 -3.772 -16.403 1.00 0.53 H new ATOM 0 HA LYS A 110 7.534 -5.015 -13.995 1.00 0.53 H new ATOM 0 HB2 LYS A 110 9.132 -3.712 -16.236 1.00 0.56 H new ATOM 0 HB3 LYS A 110 9.895 -4.563 -14.908 1.00 0.56 H new ATOM 0 HG2 LYS A 110 8.562 -6.622 -15.594 1.00 0.62 H new ATOM 0 HG3 LYS A 110 8.069 -5.739 -17.025 1.00 0.62 H new ATOM 0 HD2 LYS A 110 10.977 -6.159 -16.211 1.00 0.80 H new ATOM 0 HD3 LYS A 110 10.124 -7.194 -17.339 1.00 0.80 H new ATOM 0 HE2 LYS A 110 9.784 -5.355 -18.890 1.00 0.81 H new ATOM 0 HE3 LYS A 110 10.376 -4.188 -17.724 1.00 0.81 H new ATOM 0 HZ1 LYS A 110 12.032 -4.749 -19.397 1.00 1.14 H new ATOM 0 HZ2 LYS A 110 12.560 -5.182 -17.842 1.00 1.14 H new ATOM 0 HZ3 LYS A 110 12.001 -6.376 -18.912 1.00 1.14 H new ATOM 1851 N GLN A 111 7.687 -1.845 -14.001 1.00 0.51 N ATOM 1852 CA GLN A 111 7.858 -0.708 -13.120 1.00 0.51 C ATOM 1853 C GLN A 111 7.132 -0.944 -11.797 1.00 0.50 C ATOM 1854 O GLN A 111 7.660 -0.625 -10.746 1.00 0.51 O ATOM 1855 CB GLN A 111 7.374 0.587 -13.774 1.00 0.52 C ATOM 1856 CG GLN A 111 7.598 1.814 -12.905 1.00 1.08 C ATOM 1857 CD GLN A 111 9.062 2.030 -12.564 1.00 1.23 C ATOM 1858 OE1 GLN A 111 9.781 2.730 -13.273 1.00 1.69 O ATOM 1859 NE2 GLN A 111 9.511 1.423 -11.477 1.00 1.61 N ATOM 0 H GLN A 111 7.107 -1.668 -14.821 1.00 0.51 H new ATOM 0 HA GLN A 111 8.924 -0.599 -12.921 1.00 0.51 H new ATOM 0 HB2 GLN A 111 7.891 0.723 -14.724 1.00 0.52 H new ATOM 0 HB3 GLN A 111 6.311 0.498 -14.000 1.00 0.52 H new ATOM 0 HG2 GLN A 111 7.215 2.695 -13.421 1.00 1.08 H new ATOM 0 HG3 GLN A 111 7.026 1.711 -11.983 1.00 1.08 H new ATOM 0 HE21 GLN A 111 8.881 0.850 -10.915 1.00 1.61 H new ATOM 0 HE22 GLN A 111 10.487 1.528 -11.201 1.00 1.61 H new ATOM 1868 N TYR A 112 5.944 -1.550 -11.853 1.00 0.50 N ATOM 1869 CA TYR A 112 5.180 -1.863 -10.637 1.00 0.49 C ATOM 1870 C TYR A 112 5.861 -2.989 -9.880 1.00 0.49 C ATOM 1871 O TYR A 112 5.924 -2.984 -8.653 1.00 0.50 O ATOM 1872 CB TYR A 112 3.745 -2.281 -10.975 1.00 0.49 C ATOM 1873 CG TYR A 112 2.936 -1.202 -11.652 1.00 0.57 C ATOM 1874 CD1 TYR A 112 3.000 0.116 -11.220 1.00 0.70 C ATOM 1875 CD2 TYR A 112 2.118 -1.501 -12.734 1.00 0.66 C ATOM 1876 CE1 TYR A 112 2.270 1.104 -11.843 1.00 0.82 C ATOM 1877 CE2 TYR A 112 1.384 -0.514 -13.365 1.00 0.75 C ATOM 1878 CZ TYR A 112 1.465 0.788 -12.914 1.00 0.80 C ATOM 1879 OH TYR A 112 0.739 1.777 -13.534 1.00 0.92 O ATOM 0 H TYR A 112 5.490 -1.834 -12.721 1.00 0.50 H new ATOM 0 HA TYR A 112 5.144 -0.964 -10.021 1.00 0.49 H new ATOM 0 HB2 TYR A 112 3.775 -3.158 -11.622 1.00 0.49 H new ATOM 0 HB3 TYR A 112 3.238 -2.579 -10.057 1.00 0.49 H new ATOM 0 HD1 TYR A 112 3.632 0.371 -10.382 1.00 0.70 H new ATOM 0 HD2 TYR A 112 2.054 -2.520 -13.088 1.00 0.66 H new ATOM 0 HE1 TYR A 112 2.329 2.124 -11.492 1.00 0.82 H new ATOM 0 HE2 TYR A 112 0.751 -0.760 -14.205 1.00 0.75 H new ATOM 0 HH TYR A 112 -0.029 2.018 -12.975 1.00 0.92 H new ATOM 1889 N ILE A 113 6.376 -3.949 -10.626 1.00 0.49 N ATOM 1890 CA ILE A 113 7.074 -5.084 -10.047 1.00 0.51 C ATOM 1891 C ILE A 113 8.303 -4.627 -9.242 1.00 0.53 C ATOM 1892 O ILE A 113 8.604 -5.173 -8.178 1.00 0.54 O ATOM 1893 CB ILE A 113 7.473 -6.081 -11.148 1.00 0.57 C ATOM 1894 CG1 ILE A 113 6.218 -6.790 -11.652 1.00 0.63 C ATOM 1895 CG2 ILE A 113 8.485 -7.096 -10.634 1.00 0.59 C ATOM 1896 CD1 ILE A 113 6.373 -7.399 -13.018 1.00 0.72 C ATOM 0 H ILE A 113 6.323 -3.965 -11.645 1.00 0.49 H new ATOM 0 HA ILE A 113 6.398 -5.587 -9.355 1.00 0.51 H new ATOM 0 HB ILE A 113 7.944 -5.535 -11.966 1.00 0.57 H new ATOM 0 HG12 ILE A 113 5.945 -7.573 -10.944 1.00 0.63 H new ATOM 0 HG13 ILE A 113 5.393 -6.078 -11.673 1.00 0.63 H new ATOM 0 HG21 ILE A 113 8.747 -7.787 -11.436 1.00 0.59 H new ATOM 0 HG22 ILE A 113 9.381 -6.577 -10.295 1.00 0.59 H new ATOM 0 HG23 ILE A 113 8.052 -7.652 -9.803 1.00 0.59 H new ATOM 0 HD11 ILE A 113 5.441 -7.884 -13.308 1.00 0.72 H new ATOM 0 HD12 ILE A 113 6.615 -6.618 -13.739 1.00 0.72 H new ATOM 0 HD13 ILE A 113 7.175 -8.136 -12.999 1.00 0.72 H new ATOM 1908 N ALA A 114 8.998 -3.613 -9.752 1.00 0.56 N ATOM 1909 CA ALA A 114 10.133 -3.011 -9.044 1.00 0.59 C ATOM 1910 C ALA A 114 9.651 -1.997 -8.004 1.00 0.59 C ATOM 1911 O ALA A 114 10.192 -1.926 -6.903 1.00 0.60 O ATOM 1912 CB ALA A 114 11.064 -2.336 -10.039 1.00 0.63 C ATOM 0 H ALA A 114 8.796 -3.187 -10.657 1.00 0.56 H new ATOM 0 HA ALA A 114 10.674 -3.802 -8.524 1.00 0.59 H new ATOM 0 HB1 ALA A 114 11.905 -1.891 -9.507 1.00 0.63 H new ATOM 0 HB2 ALA A 114 11.435 -3.075 -10.750 1.00 0.63 H new ATOM 0 HB3 ALA A 114 10.521 -1.558 -10.575 1.00 0.63 H new ATOM 1918 N ASP A 115 8.634 -1.230 -8.355 1.00 0.61 N ATOM 1919 CA ASP A 115 8.160 -0.142 -7.500 1.00 0.66 C ATOM 1920 C ASP A 115 7.438 -0.686 -6.279 1.00 0.60 C ATOM 1921 O ASP A 115 7.835 -0.438 -5.145 1.00 0.59 O ATOM 1922 CB ASP A 115 7.219 0.780 -8.286 1.00 0.77 C ATOM 1923 CG ASP A 115 6.858 2.053 -7.545 1.00 1.03 C ATOM 1924 OD1 ASP A 115 6.018 1.986 -6.624 1.00 1.73 O ATOM 1925 OD2 ASP A 115 7.437 3.115 -7.852 1.00 1.20 O ATOM 0 H ASP A 115 8.116 -1.336 -9.227 1.00 0.61 H new ATOM 0 HA ASP A 115 9.028 0.427 -7.167 1.00 0.66 H new ATOM 0 HB2 ASP A 115 7.689 1.042 -9.234 1.00 0.77 H new ATOM 0 HB3 ASP A 115 6.305 0.236 -8.523 1.00 0.77 H new ATOM 1930 N PHE A 116 6.400 -1.458 -6.530 1.00 0.60 N ATOM 1931 CA PHE A 116 5.528 -1.916 -5.462 1.00 0.60 C ATOM 1932 C PHE A 116 5.864 -3.330 -5.020 1.00 0.56 C ATOM 1933 O PHE A 116 5.527 -3.714 -3.906 1.00 0.55 O ATOM 1934 CB PHE A 116 4.070 -1.838 -5.899 1.00 0.68 C ATOM 1935 CG PHE A 116 3.215 -1.028 -4.982 1.00 0.53 C ATOM 1936 CD1 PHE A 116 2.644 -1.614 -3.867 1.00 1.01 C ATOM 1937 CD2 PHE A 116 2.989 0.314 -5.231 1.00 1.11 C ATOM 1938 CE1 PHE A 116 1.856 -0.867 -3.010 1.00 1.29 C ATOM 1939 CE2 PHE A 116 2.203 1.064 -4.380 1.00 1.62 C ATOM 1940 CZ PHE A 116 1.614 0.474 -3.289 1.00 1.52 C ATOM 0 H PHE A 116 6.138 -1.782 -7.461 1.00 0.60 H new ATOM 0 HA PHE A 116 5.686 -1.257 -4.608 1.00 0.60 H new ATOM 0 HB2 PHE A 116 4.022 -1.410 -6.900 1.00 0.68 H new ATOM 0 HB3 PHE A 116 3.664 -2.848 -5.964 1.00 0.68 H new ATOM 0 HD1 PHE A 116 2.814 -2.661 -3.664 1.00 1.01 H new ATOM 0 HD2 PHE A 116 3.432 0.779 -6.099 1.00 1.11 H new ATOM 0 HE1 PHE A 116 1.431 -1.323 -2.128 1.00 1.29 H new ATOM 0 HE2 PHE A 116 2.051 2.116 -4.572 1.00 1.62 H new ATOM 0 HZ PHE A 116 0.963 1.051 -2.648 1.00 1.52 H new ATOM 1950 N GLY A 117 6.535 -4.087 -5.882 1.00 0.55 N ATOM 1951 CA GLY A 117 6.817 -5.496 -5.605 1.00 0.56 C ATOM 1952 C GLY A 117 7.320 -5.764 -4.186 1.00 0.54 C ATOM 1953 O GLY A 117 6.627 -6.420 -3.399 1.00 0.55 O ATOM 0 H GLY A 117 6.894 -3.752 -6.776 1.00 0.55 H new ATOM 0 HA2 GLY A 117 5.910 -6.077 -5.773 1.00 0.56 H new ATOM 0 HA3 GLY A 117 7.561 -5.853 -6.317 1.00 0.56 H new ATOM 1957 N PRO A 118 8.518 -5.260 -3.823 1.00 0.52 N ATOM 1958 CA PRO A 118 9.118 -5.496 -2.499 1.00 0.53 C ATOM 1959 C PRO A 118 8.172 -5.187 -1.336 1.00 0.46 C ATOM 1960 O PRO A 118 7.954 -6.025 -0.463 1.00 0.45 O ATOM 1961 CB PRO A 118 10.308 -4.537 -2.472 1.00 0.54 C ATOM 1962 CG PRO A 118 10.673 -4.340 -3.904 1.00 0.65 C ATOM 1963 CD PRO A 118 9.388 -4.429 -4.678 1.00 0.53 C ATOM 0 HA PRO A 118 9.380 -6.546 -2.370 1.00 0.53 H new ATOM 0 HB2 PRO A 118 10.043 -3.592 -1.998 1.00 0.54 H new ATOM 0 HB3 PRO A 118 11.140 -4.955 -1.906 1.00 0.54 H new ATOM 0 HG2 PRO A 118 11.152 -3.373 -4.054 1.00 0.65 H new ATOM 0 HG3 PRO A 118 11.380 -5.101 -4.234 1.00 0.65 H new ATOM 0 HD2 PRO A 118 8.956 -3.443 -4.850 1.00 0.53 H new ATOM 0 HD3 PRO A 118 9.541 -4.885 -5.656 1.00 0.53 H new ATOM 1971 N ALA A 119 7.609 -3.987 -1.337 1.00 0.46 N ATOM 1972 CA ALA A 119 6.739 -3.538 -0.254 1.00 0.42 C ATOM 1973 C ALA A 119 5.395 -4.257 -0.264 1.00 0.44 C ATOM 1974 O ALA A 119 4.803 -4.503 0.786 1.00 0.43 O ATOM 1975 CB ALA A 119 6.515 -2.039 -0.353 1.00 0.41 C ATOM 0 H ALA A 119 7.739 -3.301 -2.080 1.00 0.46 H new ATOM 0 HA ALA A 119 7.239 -3.778 0.685 1.00 0.42 H new ATOM 0 HB1 ALA A 119 5.865 -1.714 0.459 1.00 0.41 H new ATOM 0 HB2 ALA A 119 7.472 -1.523 -0.281 1.00 0.41 H new ATOM 0 HB3 ALA A 119 6.047 -1.803 -1.309 1.00 0.41 H new ATOM 1981 N CYS A 120 4.929 -4.614 -1.452 1.00 0.47 N ATOM 1982 CA CYS A 120 3.718 -5.405 -1.603 1.00 0.50 C ATOM 1983 C CYS A 120 3.860 -6.741 -0.883 1.00 0.52 C ATOM 1984 O CYS A 120 2.882 -7.303 -0.397 1.00 0.53 O ATOM 1985 CB CYS A 120 3.428 -5.646 -3.086 1.00 0.56 C ATOM 1986 SG CYS A 120 1.901 -6.583 -3.414 1.00 1.17 S ATOM 0 H CYS A 120 5.377 -4.365 -2.334 1.00 0.47 H new ATOM 0 HA CYS A 120 2.889 -4.853 -1.160 1.00 0.50 H new ATOM 0 HB2 CYS A 120 3.364 -4.683 -3.592 1.00 0.56 H new ATOM 0 HB3 CYS A 120 4.269 -6.182 -3.525 1.00 0.56 H new ATOM 1991 N LYS A 121 5.088 -7.242 -0.812 1.00 0.54 N ATOM 1992 CA LYS A 121 5.352 -8.515 -0.151 1.00 0.58 C ATOM 1993 C LYS A 121 5.036 -8.474 1.347 1.00 0.59 C ATOM 1994 O LYS A 121 4.472 -9.428 1.877 1.00 0.65 O ATOM 1995 CB LYS A 121 6.794 -8.966 -0.407 1.00 0.63 C ATOM 1996 CG LYS A 121 6.938 -9.897 -1.608 1.00 1.01 C ATOM 1997 CD LYS A 121 6.177 -9.379 -2.820 1.00 1.04 C ATOM 1998 CE LYS A 121 6.303 -10.312 -4.012 1.00 1.37 C ATOM 1999 NZ LYS A 121 7.682 -10.319 -4.565 1.00 1.47 N ATOM 0 H LYS A 121 5.914 -6.788 -1.202 1.00 0.54 H new ATOM 0 HA LYS A 121 4.678 -9.252 -0.587 1.00 0.58 H new ATOM 0 HB2 LYS A 121 7.419 -8.087 -0.562 1.00 0.63 H new ATOM 0 HB3 LYS A 121 7.171 -9.472 0.482 1.00 0.63 H new ATOM 0 HG2 LYS A 121 7.993 -10.004 -1.860 1.00 1.01 H new ATOM 0 HG3 LYS A 121 6.571 -10.889 -1.345 1.00 1.01 H new ATOM 0 HD2 LYS A 121 5.125 -9.259 -2.563 1.00 1.04 H new ATOM 0 HD3 LYS A 121 6.554 -8.393 -3.090 1.00 1.04 H new ATOM 0 HE2 LYS A 121 6.026 -11.323 -3.713 1.00 1.37 H new ATOM 0 HE3 LYS A 121 5.602 -10.006 -4.788 1.00 1.37 H new ATOM 0 HZ1 LYS A 121 7.697 -10.859 -5.454 1.00 1.47 H new ATOM 0 HZ2 LYS A 121 7.988 -9.342 -4.748 1.00 1.47 H new ATOM 0 HZ3 LYS A 121 8.328 -10.761 -3.881 1.00 1.47 H new ATOM 2013 N LYS A 122 5.403 -7.388 2.039 1.00 0.54 N ATOM 2014 CA LYS A 122 4.996 -7.238 3.441 1.00 0.55 C ATOM 2015 C LYS A 122 3.484 -7.015 3.495 1.00 0.53 C ATOM 2016 O LYS A 122 2.830 -7.400 4.462 1.00 0.57 O ATOM 2017 CB LYS A 122 5.756 -6.109 4.160 1.00 0.52 C ATOM 2018 CG LYS A 122 5.412 -4.706 3.691 1.00 0.46 C ATOM 2019 CD LYS A 122 6.237 -3.639 4.409 1.00 0.47 C ATOM 2020 CE LYS A 122 5.783 -3.402 5.851 1.00 1.15 C ATOM 2021 NZ LYS A 122 6.297 -4.426 6.803 1.00 1.50 N ATOM 0 H LYS A 122 5.964 -6.622 1.666 1.00 0.54 H new ATOM 0 HA LYS A 122 5.252 -8.153 3.974 1.00 0.55 H new ATOM 0 HB2 LYS A 122 5.554 -6.179 5.229 1.00 0.52 H new ATOM 0 HB3 LYS A 122 6.826 -6.269 4.026 1.00 0.52 H new ATOM 0 HG2 LYS A 122 5.581 -4.632 2.617 1.00 0.46 H new ATOM 0 HG3 LYS A 122 4.352 -4.518 3.860 1.00 0.46 H new ATOM 0 HD2 LYS A 122 7.286 -3.937 4.408 1.00 0.47 H new ATOM 0 HD3 LYS A 122 6.171 -2.703 3.855 1.00 0.47 H new ATOM 0 HE2 LYS A 122 6.117 -2.416 6.173 1.00 1.15 H new ATOM 0 HE3 LYS A 122 4.694 -3.397 5.886 1.00 1.15 H new ATOM 0 HZ1 LYS A 122 6.480 -3.982 7.725 1.00 1.50 H new ATOM 0 HZ2 LYS A 122 5.590 -5.181 6.916 1.00 1.50 H new ATOM 0 HZ3 LYS A 122 7.180 -4.832 6.433 1.00 1.50 H new ATOM 2035 N ILE A 123 2.941 -6.362 2.475 1.00 0.49 N ATOM 2036 CA ILE A 123 1.519 -6.040 2.444 1.00 0.48 C ATOM 2037 C ILE A 123 0.645 -7.292 2.350 1.00 0.51 C ATOM 2038 O ILE A 123 -0.307 -7.493 3.100 1.00 0.54 O ATOM 2039 CB ILE A 123 1.188 -5.092 1.285 1.00 0.46 C ATOM 2040 CG1 ILE A 123 1.872 -3.749 1.528 1.00 0.44 C ATOM 2041 CG2 ILE A 123 -0.318 -4.917 1.146 1.00 0.47 C ATOM 2042 CD1 ILE A 123 1.618 -2.741 0.443 1.00 0.44 C ATOM 0 H ILE A 123 3.463 -6.045 1.658 1.00 0.49 H new ATOM 0 HA ILE A 123 1.296 -5.541 3.387 1.00 0.48 H new ATOM 0 HB ILE A 123 1.556 -5.518 0.352 1.00 0.46 H new ATOM 0 HG12 ILE A 123 1.528 -3.342 2.479 1.00 0.44 H new ATOM 0 HG13 ILE A 123 2.946 -3.909 1.620 1.00 0.44 H new ATOM 0 HG21 ILE A 123 -0.531 -4.241 0.318 1.00 0.47 H new ATOM 0 HG22 ILE A 123 -0.780 -5.885 0.952 1.00 0.47 H new ATOM 0 HG23 ILE A 123 -0.722 -4.500 2.068 1.00 0.47 H new ATOM 0 HD11 ILE A 123 2.134 -1.811 0.682 1.00 0.44 H new ATOM 0 HD12 ILE A 123 1.988 -3.128 -0.507 1.00 0.44 H new ATOM 0 HD13 ILE A 123 0.547 -2.552 0.366 1.00 0.44 H new ATOM 2054 N TYR A 124 1.047 -8.133 1.408 1.00 0.52 N ATOM 2055 CA TYR A 124 0.510 -9.473 1.187 1.00 0.58 C ATOM 2056 C TYR A 124 1.094 -10.475 2.181 1.00 0.64 C ATOM 2057 O TYR A 124 0.962 -11.676 1.979 1.00 0.82 O ATOM 2058 CB TYR A 124 0.769 -9.932 -0.249 1.00 0.59 C ATOM 2059 CG TYR A 124 -0.400 -9.685 -1.177 1.00 0.63 C ATOM 2060 CD1 TYR A 124 -0.580 -8.456 -1.800 1.00 0.95 C ATOM 2061 CD2 TYR A 124 -1.325 -10.689 -1.429 1.00 1.14 C ATOM 2062 CE1 TYR A 124 -1.651 -8.237 -2.648 1.00 1.05 C ATOM 2063 CE2 TYR A 124 -2.397 -10.479 -2.273 1.00 1.28 C ATOM 2064 CZ TYR A 124 -2.555 -9.252 -2.880 1.00 0.95 C ATOM 2065 OH TYR A 124 -3.621 -9.042 -3.724 1.00 1.17 O ATOM 0 H TYR A 124 1.787 -7.893 0.748 1.00 0.52 H new ATOM 0 HA TYR A 124 -0.567 -9.428 1.347 1.00 0.58 H new ATOM 0 HB2 TYR A 124 1.647 -9.414 -0.636 1.00 0.59 H new ATOM 0 HB3 TYR A 124 1.003 -10.997 -0.246 1.00 0.59 H new ATOM 0 HD1 TYR A 124 0.127 -7.660 -1.619 1.00 0.95 H new ATOM 0 HD2 TYR A 124 -1.204 -11.652 -0.956 1.00 1.14 H new ATOM 0 HE1 TYR A 124 -1.778 -7.277 -3.125 1.00 1.05 H new ATOM 0 HE2 TYR A 124 -3.107 -11.271 -2.456 1.00 1.28 H new ATOM 0 HH TYR A 124 -3.669 -9.770 -4.378 1.00 1.17 H new ATOM 2075 N GLY A 125 1.537 -9.947 3.326 1.00 0.73 N ATOM 2076 CA GLY A 125 2.693 -10.396 4.142 1.00 0.86 C ATOM 2077 C GLY A 125 3.308 -11.771 3.866 1.00 0.71 C ATOM 2078 O GLY A 125 3.805 -12.429 4.778 1.00 0.78 O ATOM 0 H GLY A 125 1.074 -9.140 3.744 1.00 0.73 H new ATOM 0 HA2 GLY A 125 3.483 -9.654 4.029 1.00 0.86 H new ATOM 0 HA3 GLY A 125 2.385 -10.377 5.187 1.00 0.86 H new ATOM 2082 N VAL A 126 3.261 -12.196 2.617 1.00 0.71 N ATOM 2083 CA VAL A 126 3.999 -13.361 2.131 1.00 0.84 C ATOM 2084 C VAL A 126 5.514 -13.191 2.311 1.00 0.99 C ATOM 2085 O VAL A 126 6.282 -14.121 2.060 1.00 1.53 O ATOM 2086 CB VAL A 126 3.726 -13.606 0.628 1.00 0.93 C ATOM 2087 CG1 VAL A 126 2.280 -13.998 0.384 1.00 1.38 C ATOM 2088 CG2 VAL A 126 4.082 -12.370 -0.189 1.00 0.98 C ATOM 0 H VAL A 126 2.703 -11.739 1.896 1.00 0.71 H new ATOM 0 HA VAL A 126 3.653 -14.209 2.722 1.00 0.84 H new ATOM 0 HB VAL A 126 4.358 -14.435 0.308 1.00 0.93 H new ATOM 0 HG11 VAL A 126 2.123 -14.163 -0.682 1.00 1.38 H new ATOM 0 HG12 VAL A 126 2.054 -14.914 0.930 1.00 1.38 H new ATOM 0 HG13 VAL A 126 1.623 -13.199 0.729 1.00 1.38 H new ATOM 0 HG21 VAL A 126 3.883 -12.561 -1.244 1.00 0.98 H new ATOM 0 HG22 VAL A 126 3.479 -11.526 0.147 1.00 0.98 H new ATOM 0 HG23 VAL A 126 5.138 -12.137 -0.055 1.00 0.98 H new