USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=29 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 -21:sc= 2.28 USER MOD Set 1.2: A 53 LYS NZ :NH3+ -146:sc= 1.37 (180deg=-0.00742) USER MOD Set 1.3: A 57 THR OG1 : rot 64:sc= 1.01 USER MOD Set 2.1: A 40 LYS NZ :NH3+ 171:sc= 0 (180deg=0) USER MOD Set 2.2: A 44 TYR OH : rot 15:sc= -2.19! USER MOD Set 3.1: A 17 SER OG : rot 180:sc= -0.55 USER MOD Set 3.2: A 20 GLN : amide:sc= 0.318 K(o=-0.23,f=-5!) USER MOD Set 4.1: A 11 THR OG1 : rot 180:sc= 0.423 USER MOD Set 4.2: A 12 HIS : no HD1:sc= -0.0176 X(o=0.41,f=0.23) USER MOD Set 5.1: A 4 THR OG1 : rot 180:sc= 1.15 USER MOD Set 5.2: A 7 SER OG : rot 81:sc= 1.17 USER MOD Single : A 8 SER OG : rot -140:sc= -0.534 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.762 K(o=-0.76,f=-0.18) USER MOD Single : A 21 LYS NZ :NH3+ -119:sc= 0.762 (180deg=-0.0578) USER MOD Single : A 26 LYS NZ :NH3+ 176:sc= 1.13 (180deg=1.07) USER MOD Single : A 27 MET CE :methyl -160:sc= -1.88 (180deg=-3.81!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 0.105 (180deg=0.105) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= -0.0145 (180deg=-0.165) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 54 LYS NZ :NH3+ -146:sc= 1.25 (180deg=0.969) USER MOD Single : A 59 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.065) USER MOD Single : A 61 LYS NZ :NH3+ -160:sc= 1.26 (180deg=1.16) USER MOD Single : A 69 LYS NZ :NH3+ 171:sc= 1.28 (180deg=1.12) USER MOD Single : A 70 HIS : no HD1:sc= -3.09 K(o=-3.1,f=-1.1) USER MOD Single : A 76 LYS NZ :NH3+ 156:sc= 1.23 (180deg=1.18) USER MOD Single : A 81 LYS NZ :NH3+ 164:sc= -0.0417 (180deg=-0.27) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot -38:sc= 0.263 USER MOD Single : A 89 SER OG : rot 180:sc= 0.0174 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -164:sc= -0.032 (180deg=-0.269) USER MOD Single : A 96 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0846) USER MOD Single : A 102 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.19) USER MOD Single : A 105 THR OG1 : rot -9:sc= 1.02 USER MOD Single : A 109 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.15) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.497 X(o=-0.5,f=-0.26) USER MOD Single : A 112 TYR OH : rot 180:sc= -0.042 USER MOD Single : A 121 LYS NZ :NH3+ -160:sc= -0.0966 (180deg=-0.506) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N PHE A 3 -2.846 5.299 -11.272 1.00 1.08 N ATOM 106 CA PHE A 3 -2.409 4.992 -9.917 1.00 0.89 C ATOM 107 C PHE A 3 -1.890 6.244 -9.222 1.00 0.90 C ATOM 108 O PHE A 3 -0.737 6.637 -9.404 1.00 1.22 O ATOM 109 CB PHE A 3 -1.319 3.913 -9.924 1.00 0.94 C ATOM 110 CG PHE A 3 -1.774 2.600 -10.490 1.00 0.86 C ATOM 111 CD1 PHE A 3 -2.626 1.777 -9.772 1.00 0.90 C ATOM 112 CD2 PHE A 3 -1.341 2.183 -11.738 1.00 0.97 C ATOM 113 CE1 PHE A 3 -3.041 0.565 -10.288 1.00 0.97 C ATOM 114 CE2 PHE A 3 -1.751 0.972 -12.260 1.00 0.99 C ATOM 115 CZ PHE A 3 -2.632 0.177 -11.544 1.00 0.96 C ATOM 0 HA PHE A 3 -3.271 4.614 -9.368 1.00 0.89 H new ATOM 0 HB2 PHE A 3 -0.468 4.273 -10.502 1.00 0.94 H new ATOM 0 HB3 PHE A 3 -0.968 3.757 -8.904 1.00 0.94 H new ATOM 0 HD1 PHE A 3 -2.970 2.087 -8.796 1.00 0.90 H new ATOM 0 HD2 PHE A 3 -0.675 2.812 -12.310 1.00 0.97 H new ATOM 0 HE1 PHE A 3 -3.686 -0.078 -9.707 1.00 0.97 H new ATOM 0 HE2 PHE A 3 -1.386 0.646 -13.223 1.00 0.99 H new ATOM 0 HZ PHE A 3 -2.997 -0.745 -11.971 1.00 0.96 H new ATOM 125 N THR A 4 -2.741 6.861 -8.425 1.00 0.74 N ATOM 126 CA THR A 4 -2.365 8.029 -7.650 1.00 0.76 C ATOM 127 C THR A 4 -2.836 7.845 -6.220 1.00 0.71 C ATOM 128 O THR A 4 -3.749 7.065 -5.958 1.00 0.76 O ATOM 129 CB THR A 4 -2.972 9.325 -8.227 1.00 0.77 C ATOM 130 OG1 THR A 4 -4.387 9.181 -8.390 1.00 0.68 O ATOM 131 CG2 THR A 4 -2.336 9.682 -9.561 1.00 0.96 C ATOM 0 H THR A 4 -3.710 6.568 -8.296 1.00 0.74 H new ATOM 0 HA THR A 4 -1.280 8.126 -7.689 1.00 0.76 H new ATOM 0 HB THR A 4 -2.770 10.131 -7.522 1.00 0.77 H new ATOM 0 HG1 THR A 4 -4.760 10.010 -8.755 1.00 0.68 H new ATOM 0 HG21 THR A 4 -2.783 10.599 -9.943 1.00 0.96 H new ATOM 0 HG22 THR A 4 -1.265 9.830 -9.425 1.00 0.96 H new ATOM 0 HG23 THR A 4 -2.503 8.873 -10.272 1.00 0.96 H new ATOM 139 N LEU A 5 -2.202 8.541 -5.293 1.00 0.74 N ATOM 140 CA LEU A 5 -2.555 8.420 -3.890 1.00 0.77 C ATOM 141 C LEU A 5 -3.878 9.107 -3.585 1.00 0.67 C ATOM 142 O LEU A 5 -4.557 8.742 -2.628 1.00 0.73 O ATOM 143 CB LEU A 5 -1.452 8.993 -2.997 1.00 0.91 C ATOM 144 CG LEU A 5 -0.229 8.092 -2.796 1.00 1.02 C ATOM 145 CD1 LEU A 5 0.577 7.956 -4.079 1.00 1.67 C ATOM 146 CD2 LEU A 5 0.638 8.631 -1.677 1.00 1.67 C ATOM 0 H LEU A 5 -1.442 9.194 -5.486 1.00 0.74 H new ATOM 0 HA LEU A 5 -2.665 7.357 -3.677 1.00 0.77 H new ATOM 0 HB2 LEU A 5 -1.118 9.939 -3.424 1.00 0.91 H new ATOM 0 HB3 LEU A 5 -1.880 9.218 -2.020 1.00 0.91 H new ATOM 0 HG LEU A 5 -0.583 7.098 -2.522 1.00 1.02 H new ATOM 0 HD11 LEU A 5 1.437 7.311 -3.902 1.00 1.67 H new ATOM 0 HD12 LEU A 5 -0.049 7.520 -4.858 1.00 1.67 H new ATOM 0 HD13 LEU A 5 0.921 8.940 -4.398 1.00 1.67 H new ATOM 0 HD21 LEU A 5 1.504 7.983 -1.543 1.00 1.67 H new ATOM 0 HD22 LEU A 5 0.973 9.637 -1.929 1.00 1.67 H new ATOM 0 HD23 LEU A 5 0.061 8.662 -0.752 1.00 1.67 H new ATOM 158 N GLU A 6 -4.259 10.072 -4.424 1.00 0.60 N ATOM 159 CA GLU A 6 -5.636 10.564 -4.441 1.00 0.58 C ATOM 160 C GLU A 6 -6.553 9.372 -4.706 1.00 0.59 C ATOM 161 O GLU A 6 -7.529 9.201 -3.975 1.00 0.61 O ATOM 162 CB GLU A 6 -5.826 11.620 -5.535 1.00 0.62 C ATOM 163 CG GLU A 6 -4.850 12.782 -5.454 1.00 0.87 C ATOM 164 CD GLU A 6 -4.983 13.738 -6.624 1.00 1.35 C ATOM 165 OE1 GLU A 6 -4.451 13.432 -7.714 1.00 1.80 O ATOM 166 OE2 GLU A 6 -5.620 14.799 -6.461 1.00 1.68 O ATOM 0 H GLU A 6 -3.638 10.525 -5.095 1.00 0.60 H new ATOM 0 HA GLU A 6 -5.873 11.031 -3.485 1.00 0.58 H new ATOM 0 HB2 GLU A 6 -5.723 11.141 -6.509 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -6.843 12.009 -5.477 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -5.015 13.326 -4.524 1.00 0.87 H new ATOM 0 HG3 GLU A 6 -3.832 12.395 -5.420 1.00 0.87 H new ATOM 173 N SER A 7 -6.274 8.560 -5.722 1.00 0.59 N ATOM 174 CA SER A 7 -7.144 7.434 -6.082 1.00 0.63 C ATOM 175 C SER A 7 -7.511 6.541 -4.890 1.00 0.62 C ATOM 176 O SER A 7 -8.551 5.884 -4.910 1.00 0.78 O ATOM 177 CB SER A 7 -6.481 6.570 -7.164 1.00 0.67 C ATOM 178 OG SER A 7 -6.239 7.307 -8.350 1.00 1.14 O ATOM 0 H SER A 7 -5.450 8.658 -6.315 1.00 0.59 H new ATOM 0 HA SER A 7 -8.067 7.878 -6.455 1.00 0.63 H new ATOM 0 HB2 SER A 7 -5.540 6.172 -6.785 1.00 0.67 H new ATOM 0 HB3 SER A 7 -7.120 5.717 -7.390 1.00 0.67 H new ATOM 0 HG SER A 7 -5.417 7.831 -8.248 1.00 1.14 H new ATOM 184 N SER A 8 -6.681 6.505 -3.853 1.00 0.53 N ATOM 185 CA SER A 8 -6.897 5.577 -2.755 1.00 0.52 C ATOM 186 C SER A 8 -7.600 6.171 -1.530 1.00 0.48 C ATOM 187 O SER A 8 -8.156 5.434 -0.727 1.00 0.48 O ATOM 188 CB SER A 8 -5.588 4.920 -2.339 1.00 0.57 C ATOM 189 OG SER A 8 -4.594 5.891 -2.045 1.00 1.02 O ATOM 0 H SER A 8 -5.861 7.103 -3.752 1.00 0.53 H new ATOM 0 HA SER A 8 -7.586 4.832 -3.153 1.00 0.52 H new ATOM 0 HB2 SER A 8 -5.756 4.292 -1.464 1.00 0.57 H new ATOM 0 HB3 SER A 8 -5.236 4.267 -3.138 1.00 0.57 H new ATOM 0 HG SER A 8 -3.729 5.589 -2.393 1.00 1.02 H new ATOM 195 N LEU A 9 -7.525 7.498 -1.364 1.00 0.47 N ATOM 196 CA LEU A 9 -7.790 8.156 -0.079 1.00 0.46 C ATOM 197 C LEU A 9 -9.126 7.845 0.592 1.00 0.46 C ATOM 198 O LEU A 9 -9.258 7.873 1.814 1.00 0.42 O ATOM 199 CB LEU A 9 -7.633 9.650 -0.245 1.00 0.49 C ATOM 200 CG LEU A 9 -6.241 10.073 -0.684 1.00 0.49 C ATOM 201 CD1 LEU A 9 -6.264 11.511 -1.136 1.00 1.04 C ATOM 202 CD2 LEU A 9 -5.230 9.854 0.435 1.00 0.78 C ATOM 0 H LEU A 9 -7.280 8.144 -2.115 1.00 0.47 H new ATOM 0 HA LEU A 9 -7.052 7.735 0.604 1.00 0.46 H new ATOM 0 HB2 LEU A 9 -8.358 10.003 -0.978 1.00 0.49 H new ATOM 0 HB3 LEU A 9 -7.870 10.139 0.700 1.00 0.49 H new ATOM 0 HG LEU A 9 -5.929 9.454 -1.526 1.00 0.49 H new ATOM 0 HD11 LEU A 9 -5.264 11.810 -1.450 1.00 1.04 H new ATOM 0 HD12 LEU A 9 -6.954 11.618 -1.973 1.00 1.04 H new ATOM 0 HD13 LEU A 9 -6.591 12.146 -0.313 1.00 1.04 H new ATOM 0 HD21 LEU A 9 -4.241 10.164 0.098 1.00 0.78 H new ATOM 0 HD22 LEU A 9 -5.518 10.443 1.306 1.00 0.78 H new ATOM 0 HD23 LEU A 9 -5.207 8.798 0.703 1.00 0.78 H new ATOM 214 N ASP A 10 -10.117 7.595 -0.248 1.00 0.51 N ATOM 215 CA ASP A 10 -11.448 7.244 0.236 1.00 0.53 C ATOM 216 C ASP A 10 -11.715 5.761 0.078 1.00 0.54 C ATOM 217 O ASP A 10 -12.829 5.302 0.331 1.00 0.57 O ATOM 218 CB ASP A 10 -12.516 8.049 -0.513 1.00 0.57 C ATOM 219 CG ASP A 10 -12.412 9.540 -0.260 1.00 0.78 C ATOM 220 OD1 ASP A 10 -13.031 10.030 0.712 1.00 0.77 O ATOM 221 OD2 ASP A 10 -11.710 10.233 -1.028 1.00 1.32 O ATOM 0 H ASP A 10 -10.029 7.627 -1.264 1.00 0.51 H new ATOM 0 HA ASP A 10 -11.493 7.489 1.297 1.00 0.53 H new ATOM 0 HB2 ASP A 10 -12.424 7.859 -1.582 1.00 0.57 H new ATOM 0 HB3 ASP A 10 -13.504 7.702 -0.211 1.00 0.57 H new ATOM 226 N THR A 11 -10.715 5.007 -0.348 1.00 0.54 N ATOM 227 CA THR A 11 -10.859 3.568 -0.462 1.00 0.56 C ATOM 228 C THR A 11 -9.697 2.809 0.179 1.00 0.53 C ATOM 229 O THR A 11 -9.729 2.486 1.363 1.00 0.53 O ATOM 230 CB THR A 11 -11.012 3.125 -1.935 1.00 0.62 C ATOM 231 OG1 THR A 11 -9.978 3.713 -2.736 1.00 0.59 O ATOM 232 CG2 THR A 11 -12.376 3.515 -2.487 1.00 0.69 C ATOM 0 H THR A 11 -9.800 5.367 -0.619 1.00 0.54 H new ATOM 0 HA THR A 11 -11.769 3.318 0.083 1.00 0.56 H new ATOM 0 HB THR A 11 -10.925 2.039 -1.971 1.00 0.62 H new ATOM 0 HG1 THR A 11 -10.082 3.426 -3.667 1.00 0.59 H new ATOM 0 HG21 THR A 11 -12.455 3.191 -3.525 1.00 0.69 H new ATOM 0 HG22 THR A 11 -13.158 3.037 -1.897 1.00 0.69 H new ATOM 0 HG23 THR A 11 -12.493 4.597 -2.435 1.00 0.69 H new ATOM 240 N HIS A 12 -8.672 2.527 -0.618 1.00 0.51 N ATOM 241 CA HIS A 12 -7.521 1.769 -0.135 1.00 0.49 C ATOM 242 C HIS A 12 -6.827 2.481 1.028 1.00 0.43 C ATOM 243 O HIS A 12 -6.456 1.846 2.010 1.00 0.43 O ATOM 244 CB HIS A 12 -6.543 1.466 -1.275 1.00 0.49 C ATOM 245 CG HIS A 12 -7.202 0.821 -2.458 1.00 0.57 C ATOM 246 ND1 HIS A 12 -7.711 -0.456 -2.433 1.00 1.50 N ATOM 247 CD2 HIS A 12 -7.458 1.302 -3.696 1.00 0.90 C ATOM 248 CE1 HIS A 12 -8.251 -0.736 -3.605 1.00 1.34 C ATOM 249 NE2 HIS A 12 -8.113 0.316 -4.389 1.00 0.66 N ATOM 0 H HIS A 12 -8.613 2.810 -1.596 1.00 0.51 H new ATOM 0 HA HIS A 12 -7.889 0.816 0.246 1.00 0.49 H new ATOM 0 HB2 HIS A 12 -6.066 2.393 -1.593 1.00 0.49 H new ATOM 0 HB3 HIS A 12 -5.754 0.812 -0.905 1.00 0.49 H new ATOM 0 HD2 HIS A 12 -7.195 2.281 -4.070 1.00 0.90 H new ATOM 0 HE1 HIS A 12 -8.725 -1.668 -3.876 1.00 1.34 H new ATOM 0 HE2 HIS A 12 -8.440 0.385 -5.353 1.00 0.66 H new ATOM 258 N LEU A 13 -6.656 3.788 0.935 1.00 0.40 N ATOM 259 CA LEU A 13 -5.854 4.499 1.922 1.00 0.36 C ATOM 260 C LEU A 13 -6.707 5.341 2.866 1.00 0.34 C ATOM 261 O LEU A 13 -6.259 6.335 3.435 1.00 0.32 O ATOM 262 CB LEU A 13 -4.797 5.370 1.234 1.00 0.34 C ATOM 263 CG LEU A 13 -3.435 4.689 0.998 1.00 0.38 C ATOM 264 CD1 LEU A 13 -2.869 4.151 2.301 1.00 1.13 C ATOM 265 CD2 LEU A 13 -3.540 3.568 -0.024 1.00 0.84 C ATOM 0 H LEU A 13 -7.053 4.373 0.200 1.00 0.40 H new ATOM 0 HA LEU A 13 -5.353 3.744 2.528 1.00 0.36 H new ATOM 0 HB2 LEU A 13 -5.191 5.700 0.273 1.00 0.34 H new ATOM 0 HB3 LEU A 13 -4.638 6.264 1.837 1.00 0.34 H new ATOM 0 HG LEU A 13 -2.758 5.446 0.603 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -1.907 3.674 2.111 1.00 1.13 H new ATOM 0 HD12 LEU A 13 -2.734 4.972 3.005 1.00 1.13 H new ATOM 0 HD13 LEU A 13 -3.559 3.420 2.723 1.00 1.13 H new ATOM 0 HD21 LEU A 13 -2.560 3.111 -0.165 1.00 0.84 H new ATOM 0 HD22 LEU A 13 -4.244 2.816 0.332 1.00 0.84 H new ATOM 0 HD23 LEU A 13 -3.891 3.973 -0.973 1.00 0.84 H new ATOM 277 N LYS A 14 -7.957 4.906 3.021 1.00 0.38 N ATOM 278 CA LYS A 14 -8.940 5.616 3.827 1.00 0.38 C ATOM 279 C LYS A 14 -8.618 5.550 5.315 1.00 0.35 C ATOM 280 O LYS A 14 -9.088 6.374 6.098 1.00 0.36 O ATOM 281 CB LYS A 14 -10.342 5.052 3.582 1.00 0.45 C ATOM 282 CG LYS A 14 -10.499 3.587 3.967 1.00 0.64 C ATOM 283 CD LYS A 14 -11.956 3.139 3.930 1.00 0.67 C ATOM 284 CE LYS A 14 -12.603 3.380 2.581 1.00 1.26 C ATOM 285 NZ LYS A 14 -14.066 3.115 2.610 1.00 1.69 N ATOM 0 H LYS A 14 -8.313 4.052 2.591 1.00 0.38 H new ATOM 0 HA LYS A 14 -8.906 6.662 3.521 1.00 0.38 H new ATOM 0 HB2 LYS A 14 -11.064 5.644 4.145 1.00 0.45 H new ATOM 0 HB3 LYS A 14 -10.589 5.168 2.527 1.00 0.45 H new ATOM 0 HG2 LYS A 14 -9.912 2.969 3.287 1.00 0.64 H new ATOM 0 HG3 LYS A 14 -10.097 3.430 4.968 1.00 0.64 H new ATOM 0 HD2 LYS A 14 -12.013 2.078 4.172 1.00 0.67 H new ATOM 0 HD3 LYS A 14 -12.516 3.672 4.698 1.00 0.67 H new ATOM 0 HE2 LYS A 14 -12.427 4.411 2.274 1.00 1.26 H new ATOM 0 HE3 LYS A 14 -12.133 2.740 1.834 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 -14.470 3.292 1.668 1.00 1.69 H new ATOM 0 HZ2 LYS A 14 -14.234 2.124 2.878 1.00 1.69 H new ATOM 0 HZ3 LYS A 14 -14.519 3.743 3.304 1.00 1.69 H new ATOM 299 N TRP A 15 -7.808 4.568 5.694 1.00 0.34 N ATOM 300 CA TRP A 15 -7.455 4.355 7.095 1.00 0.33 C ATOM 301 C TRP A 15 -6.434 5.389 7.562 1.00 0.29 C ATOM 302 O TRP A 15 -6.106 5.456 8.747 1.00 0.29 O ATOM 303 CB TRP A 15 -6.889 2.946 7.294 1.00 0.35 C ATOM 304 CG TRP A 15 -5.676 2.678 6.460 1.00 0.33 C ATOM 305 CD1 TRP A 15 -5.661 2.234 5.175 1.00 0.34 C ATOM 306 CD2 TRP A 15 -4.305 2.837 6.848 1.00 0.30 C ATOM 307 NE1 TRP A 15 -4.369 2.112 4.732 1.00 0.33 N ATOM 308 CE2 TRP A 15 -3.516 2.474 5.744 1.00 0.30 C ATOM 309 CE3 TRP A 15 -3.667 3.253 8.023 1.00 0.30 C ATOM 310 CZ2 TRP A 15 -2.123 2.513 5.778 1.00 0.30 C ATOM 311 CZ3 TRP A 15 -2.286 3.293 8.055 1.00 0.30 C ATOM 312 CH2 TRP A 15 -1.529 2.923 6.938 1.00 0.30 C ATOM 0 H TRP A 15 -7.381 3.904 5.048 1.00 0.34 H new ATOM 0 HA TRP A 15 -8.361 4.465 7.690 1.00 0.33 H new ATOM 0 HB2 TRP A 15 -6.638 2.807 8.345 1.00 0.35 H new ATOM 0 HB3 TRP A 15 -7.659 2.214 7.051 1.00 0.35 H new ATOM 0 HD1 TRP A 15 -6.539 2.010 4.588 1.00 0.34 H new ATOM 0 HE1 TRP A 15 -4.088 1.803 3.802 1.00 0.33 H new ATOM 0 HE3 TRP A 15 -4.245 3.538 8.890 1.00 0.30 H new ATOM 0 HZ2 TRP A 15 -1.534 2.229 4.918 1.00 0.30 H new ATOM 0 HZ3 TRP A 15 -1.784 3.615 8.955 1.00 0.30 H new ATOM 0 HH2 TRP A 15 -0.451 2.962 6.994 1.00 0.30 H new ATOM 323 N LEU A 16 -5.940 6.194 6.637 1.00 0.28 N ATOM 324 CA LEU A 16 -5.065 7.297 6.989 1.00 0.26 C ATOM 325 C LEU A 16 -5.908 8.433 7.557 1.00 0.27 C ATOM 326 O LEU A 16 -7.087 8.585 7.228 1.00 0.31 O ATOM 327 CB LEU A 16 -4.304 7.809 5.758 1.00 0.25 C ATOM 328 CG LEU A 16 -3.392 6.806 5.048 1.00 0.26 C ATOM 329 CD1 LEU A 16 -2.861 7.417 3.762 1.00 0.26 C ATOM 330 CD2 LEU A 16 -2.232 6.385 5.937 1.00 0.30 C ATOM 0 H LEU A 16 -6.130 6.104 5.639 1.00 0.28 H new ATOM 0 HA LEU A 16 -4.341 6.948 7.725 1.00 0.26 H new ATOM 0 HB2 LEU A 16 -5.033 8.177 5.036 1.00 0.25 H new ATOM 0 HB3 LEU A 16 -3.699 8.663 6.063 1.00 0.25 H new ATOM 0 HG LEU A 16 -3.980 5.917 4.818 1.00 0.26 H new ATOM 0 HD11 LEU A 16 -2.212 6.700 3.259 1.00 0.26 H new ATOM 0 HD12 LEU A 16 -3.695 7.672 3.108 1.00 0.26 H new ATOM 0 HD13 LEU A 16 -2.294 8.318 3.994 1.00 0.26 H new ATOM 0 HD21 LEU A 16 -1.604 5.672 5.402 1.00 0.30 H new ATOM 0 HD22 LEU A 16 -1.641 7.261 6.203 1.00 0.30 H new ATOM 0 HD23 LEU A 16 -2.619 5.919 6.843 1.00 0.30 H new ATOM 342 N SER A 17 -5.276 9.223 8.402 1.00 0.27 N ATOM 343 CA SER A 17 -5.931 10.405 8.933 1.00 0.30 C ATOM 344 C SER A 17 -5.761 11.559 7.955 1.00 0.33 C ATOM 345 O SER A 17 -4.921 11.474 7.059 1.00 0.34 O ATOM 346 CB SER A 17 -5.360 10.759 10.308 1.00 0.31 C ATOM 347 OG SER A 17 -3.950 10.867 10.264 1.00 1.24 O ATOM 0 H SER A 17 -4.323 9.073 8.733 1.00 0.27 H new ATOM 0 HA SER A 17 -6.995 10.206 9.058 1.00 0.30 H new ATOM 0 HB2 SER A 17 -5.789 11.700 10.651 1.00 0.31 H new ATOM 0 HB3 SER A 17 -5.647 9.996 11.031 1.00 0.31 H new ATOM 0 HG SER A 17 -3.611 11.095 11.155 1.00 1.24 H new ATOM 353 N GLN A 18 -6.550 12.620 8.098 1.00 0.36 N ATOM 354 CA GLN A 18 -6.436 13.761 7.193 1.00 0.41 C ATOM 355 C GLN A 18 -5.008 14.286 7.207 1.00 0.41 C ATOM 356 O GLN A 18 -4.421 14.536 6.156 1.00 0.42 O ATOM 357 CB GLN A 18 -7.415 14.875 7.573 1.00 0.47 C ATOM 358 CG GLN A 18 -8.875 14.523 7.335 1.00 1.19 C ATOM 359 CD GLN A 18 -9.190 14.295 5.871 1.00 1.41 C ATOM 360 OE1 GLN A 18 -9.525 15.229 5.141 1.00 1.90 O ATOM 361 NE2 GLN A 18 -9.098 13.054 5.430 1.00 1.91 N ATOM 0 H GLN A 18 -7.265 12.715 8.820 1.00 0.36 H new ATOM 0 HA GLN A 18 -6.690 13.426 6.187 1.00 0.41 H new ATOM 0 HB2 GLN A 18 -7.278 15.121 8.626 1.00 0.47 H new ATOM 0 HB3 GLN A 18 -7.170 15.770 7.002 1.00 0.47 H new ATOM 0 HG2 GLN A 18 -9.125 13.625 7.900 1.00 1.19 H new ATOM 0 HG3 GLN A 18 -9.505 15.326 7.717 1.00 1.19 H new ATOM 0 HE21 GLN A 18 -8.817 12.307 6.065 1.00 1.91 H new ATOM 0 HE22 GLN A 18 -9.308 12.843 4.454 1.00 1.91 H new ATOM 370 N GLU A 19 -4.455 14.422 8.406 1.00 0.41 N ATOM 371 CA GLU A 19 -3.102 14.888 8.580 1.00 0.42 C ATOM 372 C GLU A 19 -2.107 13.981 7.853 1.00 0.40 C ATOM 373 O GLU A 19 -1.180 14.476 7.219 1.00 0.42 O ATOM 374 CB GLU A 19 -2.800 14.952 10.066 1.00 0.41 C ATOM 375 CG GLU A 19 -3.758 15.847 10.836 1.00 1.18 C ATOM 376 CD GLU A 19 -3.485 15.843 12.324 1.00 1.79 C ATOM 377 OE1 GLU A 19 -3.761 14.822 12.982 1.00 2.49 O ATOM 378 OE2 GLU A 19 -2.990 16.865 12.846 1.00 2.01 O ATOM 0 H GLU A 19 -4.939 14.210 9.279 1.00 0.41 H new ATOM 0 HA GLU A 19 -3.000 15.882 8.144 1.00 0.42 H new ATOM 0 HB2 GLU A 19 -2.841 13.945 10.482 1.00 0.41 H new ATOM 0 HB3 GLU A 19 -1.782 15.314 10.208 1.00 0.41 H new ATOM 0 HG2 GLU A 19 -3.681 16.867 10.458 1.00 1.18 H new ATOM 0 HG3 GLU A 19 -4.781 15.518 10.657 1.00 1.18 H new ATOM 385 N GLN A 20 -2.302 12.663 7.923 1.00 0.37 N ATOM 386 CA GLN A 20 -1.413 11.729 7.233 1.00 0.36 C ATOM 387 C GLN A 20 -1.608 11.853 5.731 1.00 0.38 C ATOM 388 O GLN A 20 -0.639 11.900 4.982 1.00 0.41 O ATOM 389 CB GLN A 20 -1.668 10.291 7.684 1.00 0.33 C ATOM 390 CG GLN A 20 -1.223 10.009 9.110 1.00 0.37 C ATOM 391 CD GLN A 20 -1.586 8.610 9.567 1.00 0.77 C ATOM 392 OE1 GLN A 20 -2.590 8.042 9.131 1.00 1.57 O ATOM 393 NE2 GLN A 20 -0.779 8.045 10.452 1.00 1.04 N ATOM 0 H GLN A 20 -3.060 12.222 8.445 1.00 0.37 H new ATOM 0 HA GLN A 20 -0.383 11.981 7.486 1.00 0.36 H new ATOM 0 HB2 GLN A 20 -2.733 10.076 7.596 1.00 0.33 H new ATOM 0 HB3 GLN A 20 -1.148 9.611 7.009 1.00 0.33 H new ATOM 0 HG2 GLN A 20 -0.144 10.143 9.183 1.00 0.37 H new ATOM 0 HG3 GLN A 20 -1.681 10.737 9.780 1.00 0.37 H new ATOM 0 HE21 GLN A 20 0.042 8.549 10.788 1.00 1.04 H new ATOM 0 HE22 GLN A 20 -0.978 7.106 10.798 1.00 1.04 H new ATOM 402 N LYS A 21 -2.857 11.904 5.291 1.00 0.38 N ATOM 403 CA LYS A 21 -3.158 12.038 3.871 1.00 0.42 C ATOM 404 C LYS A 21 -2.520 13.307 3.325 1.00 0.42 C ATOM 405 O LYS A 21 -1.780 13.271 2.348 1.00 0.43 O ATOM 406 CB LYS A 21 -4.671 12.066 3.644 1.00 0.47 C ATOM 407 CG LYS A 21 -5.367 10.758 3.989 1.00 0.56 C ATOM 408 CD LYS A 21 -6.876 10.875 3.856 1.00 0.54 C ATOM 409 CE LYS A 21 -7.559 9.533 4.065 1.00 0.57 C ATOM 410 NZ LYS A 21 -9.042 9.658 4.059 1.00 0.95 N ATOM 0 H LYS A 21 -3.678 11.855 5.895 1.00 0.38 H new ATOM 0 HA LYS A 21 -2.747 11.178 3.343 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -5.104 12.867 4.243 1.00 0.47 H new ATOM 0 HB3 LYS A 21 -4.868 12.307 2.599 1.00 0.47 H new ATOM 0 HG2 LYS A 21 -5.004 9.968 3.332 1.00 0.56 H new ATOM 0 HG3 LYS A 21 -5.112 10.468 5.008 1.00 0.56 H new ATOM 0 HD2 LYS A 21 -7.252 11.593 4.585 1.00 0.54 H new ATOM 0 HD3 LYS A 21 -7.126 11.262 2.868 1.00 0.54 H new ATOM 0 HE2 LYS A 21 -7.250 8.842 3.281 1.00 0.57 H new ATOM 0 HE3 LYS A 21 -7.235 9.104 5.013 1.00 0.57 H new ATOM 0 HZ1 LYS A 21 -9.420 9.347 4.977 1.00 0.95 H new ATOM 0 HZ2 LYS A 21 -9.306 10.650 3.894 1.00 0.95 H new ATOM 0 HZ3 LYS A 21 -9.437 9.064 3.302 1.00 0.95 H new ATOM 424 N ASP A 22 -2.759 14.408 4.010 1.00 0.44 N ATOM 425 CA ASP A 22 -2.236 15.707 3.608 1.00 0.46 C ATOM 426 C ASP A 22 -0.710 15.731 3.639 1.00 0.46 C ATOM 427 O ASP A 22 -0.104 16.516 2.915 1.00 0.48 O ATOM 428 CB ASP A 22 -2.761 16.783 4.563 1.00 0.49 C ATOM 429 CG ASP A 22 -2.292 18.176 4.198 1.00 0.58 C ATOM 430 OD1 ASP A 22 -2.822 18.752 3.225 1.00 0.67 O ATOM 431 OD2 ASP A 22 -1.383 18.702 4.873 1.00 0.64 O ATOM 0 H ASP A 22 -3.321 14.432 4.861 1.00 0.44 H new ATOM 0 HA ASP A 22 -2.567 15.899 2.587 1.00 0.46 H new ATOM 0 HB2 ASP A 22 -3.851 16.761 4.563 1.00 0.49 H new ATOM 0 HB3 ASP A 22 -2.437 16.550 5.577 1.00 0.49 H new ATOM 436 N GLU A 23 -0.082 14.878 4.432 1.00 0.44 N ATOM 437 CA GLU A 23 1.346 14.684 4.341 1.00 0.45 C ATOM 438 C GLU A 23 1.723 14.120 2.983 1.00 0.42 C ATOM 439 O GLU A 23 2.594 14.655 2.299 1.00 0.44 O ATOM 440 CB GLU A 23 1.800 13.737 5.430 1.00 0.47 C ATOM 441 CG GLU A 23 1.892 14.384 6.786 1.00 0.71 C ATOM 442 CD GLU A 23 2.804 15.594 6.787 1.00 0.97 C ATOM 443 OE1 GLU A 23 4.022 15.423 6.567 1.00 1.40 O ATOM 444 OE2 GLU A 23 2.308 16.718 7.014 1.00 1.43 O ATOM 0 H GLU A 23 -0.543 14.312 5.144 1.00 0.44 H new ATOM 0 HA GLU A 23 1.838 15.648 4.466 1.00 0.45 H new ATOM 0 HB2 GLU A 23 1.107 12.897 5.483 1.00 0.47 H new ATOM 0 HB3 GLU A 23 2.775 13.329 5.163 1.00 0.47 H new ATOM 0 HG2 GLU A 23 0.896 14.683 7.111 1.00 0.71 H new ATOM 0 HG3 GLU A 23 2.258 13.655 7.509 1.00 0.71 H new ATOM 451 N LEU A 24 1.077 13.036 2.592 1.00 0.40 N ATOM 452 CA LEU A 24 1.344 12.375 1.333 1.00 0.39 C ATOM 453 C LEU A 24 1.054 13.298 0.145 1.00 0.39 C ATOM 454 O LEU A 24 1.885 13.426 -0.753 1.00 0.41 O ATOM 455 CB LEU A 24 0.509 11.098 1.255 1.00 0.38 C ATOM 456 CG LEU A 24 1.047 9.906 2.064 1.00 0.50 C ATOM 457 CD1 LEU A 24 1.358 10.266 3.500 1.00 1.16 C ATOM 458 CD2 LEU A 24 0.064 8.753 2.020 1.00 1.33 C ATOM 0 H LEU A 24 0.347 12.588 3.146 1.00 0.40 H new ATOM 0 HA LEU A 24 2.402 12.118 1.283 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -0.500 11.323 1.600 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.430 10.799 0.210 1.00 0.38 H new ATOM 0 HG LEU A 24 1.986 9.607 1.597 1.00 0.50 H new ATOM 0 HD11 LEU A 24 1.734 9.386 4.022 1.00 1.16 H new ATOM 0 HD12 LEU A 24 2.113 11.052 3.523 1.00 1.16 H new ATOM 0 HD13 LEU A 24 0.451 10.620 3.991 1.00 1.16 H new ATOM 0 HD21 LEU A 24 0.458 7.916 2.597 1.00 1.33 H new ATOM 0 HD22 LEU A 24 -0.888 9.070 2.445 1.00 1.33 H new ATOM 0 HD23 LEU A 24 -0.086 8.442 0.986 1.00 1.33 H new ATOM 470 N LEU A 25 -0.119 13.940 0.134 1.00 0.40 N ATOM 471 CA LEU A 25 -0.442 14.924 -0.885 1.00 0.43 C ATOM 472 C LEU A 25 0.608 16.025 -0.933 1.00 0.46 C ATOM 473 O LEU A 25 0.997 16.483 -2.005 1.00 0.48 O ATOM 474 CB LEU A 25 -1.807 15.530 -0.593 1.00 0.45 C ATOM 475 CG LEU A 25 -3.010 14.656 -0.939 1.00 0.49 C ATOM 476 CD1 LEU A 25 -3.098 14.441 -2.438 1.00 1.02 C ATOM 477 CD2 LEU A 25 -2.977 13.324 -0.219 1.00 1.06 C ATOM 0 H LEU A 25 -0.856 13.790 0.823 1.00 0.40 H new ATOM 0 HA LEU A 25 -0.459 14.425 -1.854 1.00 0.43 H new ATOM 0 HB2 LEU A 25 -1.854 15.777 0.468 1.00 0.45 H new ATOM 0 HB3 LEU A 25 -1.893 16.467 -1.143 1.00 0.45 H new ATOM 0 HG LEU A 25 -3.900 15.187 -0.600 1.00 0.49 H new ATOM 0 HD11 LEU A 25 -3.961 13.816 -2.666 1.00 1.02 H new ATOM 0 HD12 LEU A 25 -3.205 15.404 -2.938 1.00 1.02 H new ATOM 0 HD13 LEU A 25 -2.191 13.949 -2.789 1.00 1.02 H new ATOM 0 HD21 LEU A 25 -3.853 12.738 -0.497 1.00 1.06 H new ATOM 0 HD22 LEU A 25 -2.074 12.782 -0.499 1.00 1.06 H new ATOM 0 HD23 LEU A 25 -2.980 13.492 0.858 1.00 1.06 H new ATOM 489 N LYS A 26 1.047 16.447 0.242 1.00 0.47 N ATOM 490 CA LYS A 26 2.047 17.495 0.377 1.00 0.51 C ATOM 491 C LYS A 26 3.333 17.085 -0.312 1.00 0.49 C ATOM 492 O LYS A 26 3.906 17.833 -1.098 1.00 0.51 O ATOM 493 CB LYS A 26 2.314 17.723 1.862 1.00 0.56 C ATOM 494 CG LYS A 26 3.063 18.997 2.197 1.00 0.93 C ATOM 495 CD LYS A 26 3.357 19.079 3.689 1.00 1.62 C ATOM 496 CE LYS A 26 2.124 18.775 4.532 1.00 2.50 C ATOM 497 NZ LYS A 26 0.995 19.699 4.243 1.00 3.24 N ATOM 0 H LYS A 26 0.719 16.071 1.132 1.00 0.47 H new ATOM 0 HA LYS A 26 1.681 18.411 -0.086 1.00 0.51 H new ATOM 0 HB2 LYS A 26 1.360 17.733 2.389 1.00 0.56 H new ATOM 0 HB3 LYS A 26 2.881 16.876 2.247 1.00 0.56 H new ATOM 0 HG2 LYS A 26 3.997 19.033 1.636 1.00 0.93 H new ATOM 0 HG3 LYS A 26 2.474 19.861 1.890 1.00 0.93 H new ATOM 0 HD2 LYS A 26 4.151 18.376 3.941 1.00 1.62 H new ATOM 0 HD3 LYS A 26 3.725 20.076 3.932 1.00 1.62 H new ATOM 0 HE2 LYS A 26 1.806 17.749 4.348 1.00 2.50 H new ATOM 0 HE3 LYS A 26 2.384 18.843 5.588 1.00 2.50 H new ATOM 0 HZ1 LYS A 26 0.160 19.409 4.791 1.00 3.24 H new ATOM 0 HZ2 LYS A 26 1.263 20.668 4.507 1.00 3.24 H new ATOM 0 HZ3 LYS A 26 0.771 19.666 3.228 1.00 3.24 H new ATOM 511 N MET A 27 3.758 15.868 -0.025 1.00 0.47 N ATOM 512 CA MET A 27 4.949 15.312 -0.632 1.00 0.47 C ATOM 513 C MET A 27 4.808 15.108 -2.137 1.00 0.47 C ATOM 514 O MET A 27 5.695 15.507 -2.893 1.00 0.49 O ATOM 515 CB MET A 27 5.323 13.993 0.046 1.00 0.49 C ATOM 516 CG MET A 27 5.662 14.145 1.520 1.00 0.50 C ATOM 517 SD MET A 27 6.838 12.904 2.098 1.00 0.92 S ATOM 518 CE MET A 27 6.059 11.399 1.528 1.00 0.79 C ATOM 0 H MET A 27 3.290 15.243 0.631 1.00 0.47 H new ATOM 0 HA MET A 27 5.747 16.040 -0.484 1.00 0.47 H new ATOM 0 HB2 MET A 27 4.495 13.292 -0.058 1.00 0.49 H new ATOM 0 HB3 MET A 27 6.177 13.556 -0.472 1.00 0.49 H new ATOM 0 HG2 MET A 27 6.075 15.139 1.693 1.00 0.50 H new ATOM 0 HG3 MET A 27 4.747 14.074 2.108 1.00 0.50 H new ATOM 0 HE1 MET A 27 6.449 10.551 2.091 1.00 0.79 H new ATOM 0 HE2 MET A 27 4.981 11.468 1.676 1.00 0.79 H new ATOM 0 HE3 MET A 27 6.271 11.259 0.468 1.00 0.79 H new ATOM 528 N LYS A 28 3.709 14.503 -2.590 1.00 0.45 N ATOM 529 CA LYS A 28 3.508 14.239 -4.012 1.00 0.49 C ATOM 530 C LYS A 28 3.551 15.544 -4.815 1.00 0.54 C ATOM 531 O LYS A 28 4.168 15.611 -5.880 1.00 0.58 O ATOM 532 CB LYS A 28 2.167 13.517 -4.216 1.00 0.50 C ATOM 533 CG LYS A 28 2.002 12.851 -5.581 1.00 0.79 C ATOM 534 CD LYS A 28 1.706 13.858 -6.680 1.00 1.41 C ATOM 535 CE LYS A 28 1.593 13.188 -8.038 1.00 1.82 C ATOM 536 NZ LYS A 28 1.301 14.171 -9.114 1.00 2.44 N ATOM 0 H LYS A 28 2.946 14.187 -1.992 1.00 0.45 H new ATOM 0 HA LYS A 28 4.313 13.599 -4.373 1.00 0.49 H new ATOM 0 HB2 LYS A 28 2.057 12.758 -3.441 1.00 0.50 H new ATOM 0 HB3 LYS A 28 1.359 14.235 -4.077 1.00 0.50 H new ATOM 0 HG2 LYS A 28 2.911 12.303 -5.828 1.00 0.79 H new ATOM 0 HG3 LYS A 28 1.194 12.121 -5.532 1.00 0.79 H new ATOM 0 HD2 LYS A 28 0.777 14.381 -6.454 1.00 1.41 H new ATOM 0 HD3 LYS A 28 2.496 14.608 -6.709 1.00 1.41 H new ATOM 0 HE2 LYS A 28 2.523 12.666 -8.265 1.00 1.82 H new ATOM 0 HE3 LYS A 28 0.804 12.436 -8.008 1.00 1.82 H new ATOM 0 HZ1 LYS A 28 1.231 13.677 -10.026 1.00 2.44 H new ATOM 0 HZ2 LYS A 28 0.401 14.651 -8.911 1.00 2.44 H new ATOM 0 HZ3 LYS A 28 2.066 14.874 -9.159 1.00 2.44 H new ATOM 550 N LYS A 29 2.922 16.585 -4.281 1.00 0.55 N ATOM 551 CA LYS A 29 2.891 17.878 -4.960 1.00 0.62 C ATOM 552 C LYS A 29 4.237 18.589 -4.886 1.00 0.64 C ATOM 553 O LYS A 29 4.586 19.364 -5.778 1.00 0.72 O ATOM 554 CB LYS A 29 1.793 18.778 -4.384 1.00 0.62 C ATOM 555 CG LYS A 29 0.394 18.182 -4.481 1.00 1.13 C ATOM 556 CD LYS A 29 -0.688 19.223 -4.222 1.00 1.57 C ATOM 557 CE LYS A 29 -0.517 19.918 -2.876 1.00 2.08 C ATOM 558 NZ LYS A 29 -0.669 18.984 -1.728 1.00 2.69 N ATOM 0 H LYS A 29 2.430 16.562 -3.388 1.00 0.55 H new ATOM 0 HA LYS A 29 2.670 17.679 -6.009 1.00 0.62 H new ATOM 0 HB2 LYS A 29 2.018 18.985 -3.338 1.00 0.62 H new ATOM 0 HB3 LYS A 29 1.808 19.734 -4.908 1.00 0.62 H new ATOM 0 HG2 LYS A 29 0.252 17.750 -5.471 1.00 1.13 H new ATOM 0 HG3 LYS A 29 0.295 17.369 -3.761 1.00 1.13 H new ATOM 0 HD2 LYS A 29 -0.669 19.968 -5.017 1.00 1.57 H new ATOM 0 HD3 LYS A 29 -1.666 18.743 -4.258 1.00 1.57 H new ATOM 0 HE2 LYS A 29 0.468 20.383 -2.834 1.00 2.08 H new ATOM 0 HE3 LYS A 29 -1.252 20.719 -2.788 1.00 2.08 H new ATOM 0 HZ1 LYS A 29 -0.527 19.502 -0.838 1.00 2.69 H new ATOM 0 HZ2 LYS A 29 -1.624 18.572 -1.740 1.00 2.69 H new ATOM 0 HZ3 LYS A 29 0.037 18.224 -1.803 1.00 2.69 H new ATOM 572 N ASP A 30 4.998 18.314 -3.835 1.00 0.62 N ATOM 573 CA ASP A 30 6.289 18.967 -3.643 1.00 0.66 C ATOM 574 C ASP A 30 7.386 18.249 -4.434 1.00 0.65 C ATOM 575 O ASP A 30 8.537 18.680 -4.490 1.00 0.69 O ATOM 576 CB ASP A 30 6.633 19.027 -2.149 1.00 0.67 C ATOM 577 CG ASP A 30 7.913 19.782 -1.856 1.00 1.33 C ATOM 578 OD1 ASP A 30 7.885 21.031 -1.842 1.00 1.32 O ATOM 579 OD2 ASP A 30 8.953 19.129 -1.626 1.00 2.14 O ATOM 0 H ASP A 30 4.747 17.647 -3.105 1.00 0.62 H new ATOM 0 HA ASP A 30 6.224 19.987 -4.022 1.00 0.66 H new ATOM 0 HB2 ASP A 30 5.810 19.500 -1.613 1.00 0.67 H new ATOM 0 HB3 ASP A 30 6.723 18.011 -1.763 1.00 0.67 H new ATOM 584 N GLY A 31 6.983 17.158 -5.074 1.00 0.62 N ATOM 585 CA GLY A 31 7.861 16.479 -5.996 1.00 0.62 C ATOM 586 C GLY A 31 8.654 15.379 -5.342 1.00 0.61 C ATOM 587 O GLY A 31 9.721 15.000 -5.827 1.00 0.63 O ATOM 0 H GLY A 31 6.061 16.734 -4.968 1.00 0.62 H new ATOM 0 HA2 GLY A 31 7.271 16.060 -6.811 1.00 0.62 H new ATOM 0 HA3 GLY A 31 8.547 17.202 -6.437 1.00 0.62 H new ATOM 591 N LYS A 32 8.143 14.873 -4.235 1.00 0.59 N ATOM 592 CA LYS A 32 8.740 13.722 -3.605 1.00 0.58 C ATOM 593 C LYS A 32 8.481 12.501 -4.472 1.00 0.56 C ATOM 594 O LYS A 32 7.470 12.425 -5.177 1.00 0.55 O ATOM 595 CB LYS A 32 8.188 13.513 -2.196 1.00 0.57 C ATOM 596 CG LYS A 32 8.386 14.712 -1.275 1.00 0.63 C ATOM 597 CD LYS A 32 9.844 15.121 -1.177 1.00 0.76 C ATOM 598 CE LYS A 32 10.025 16.294 -0.227 1.00 1.15 C ATOM 599 NZ LYS A 32 11.428 16.786 -0.213 1.00 1.65 N ATOM 0 H LYS A 32 7.320 15.242 -3.759 1.00 0.59 H new ATOM 0 HA LYS A 32 9.814 13.883 -3.508 1.00 0.58 H new ATOM 0 HB2 LYS A 32 7.123 13.289 -2.262 1.00 0.57 H new ATOM 0 HB3 LYS A 32 8.670 12.642 -1.752 1.00 0.57 H new ATOM 0 HG2 LYS A 32 7.798 15.553 -1.643 1.00 0.63 H new ATOM 0 HG3 LYS A 32 8.010 14.471 -0.281 1.00 0.63 H new ATOM 0 HD2 LYS A 32 10.439 14.275 -0.832 1.00 0.76 H new ATOM 0 HD3 LYS A 32 10.216 15.390 -2.166 1.00 0.76 H new ATOM 0 HE2 LYS A 32 9.359 17.105 -0.521 1.00 1.15 H new ATOM 0 HE3 LYS A 32 9.736 15.993 0.780 1.00 1.15 H new ATOM 0 HZ1 LYS A 32 11.509 17.586 0.447 1.00 1.65 H new ATOM 0 HZ2 LYS A 32 12.062 16.020 0.092 1.00 1.65 H new ATOM 0 HZ3 LYS A 32 11.696 17.097 -1.168 1.00 1.65 H new ATOM 613 N ALA A 33 9.391 11.563 -4.422 1.00 0.56 N ATOM 614 CA ALA A 33 9.287 10.358 -5.229 1.00 0.55 C ATOM 615 C ALA A 33 8.203 9.440 -4.691 1.00 0.52 C ATOM 616 O ALA A 33 7.834 9.530 -3.518 1.00 0.50 O ATOM 617 CB ALA A 33 10.617 9.626 -5.291 1.00 0.59 C ATOM 0 H ALA A 33 10.220 11.604 -3.829 1.00 0.56 H new ATOM 0 HA ALA A 33 9.015 10.658 -6.241 1.00 0.55 H new ATOM 0 HB1 ALA A 33 10.510 8.729 -5.901 1.00 0.59 H new ATOM 0 HB2 ALA A 33 11.371 10.278 -5.733 1.00 0.59 H new ATOM 0 HB3 ALA A 33 10.925 9.346 -4.284 1.00 0.59 H new ATOM 623 N LYS A 34 7.705 8.550 -5.535 1.00 0.53 N ATOM 624 CA LYS A 34 6.670 7.610 -5.123 1.00 0.51 C ATOM 625 C LYS A 34 7.196 6.745 -3.991 1.00 0.51 C ATOM 626 O LYS A 34 6.461 6.401 -3.071 1.00 0.48 O ATOM 627 CB LYS A 34 6.220 6.725 -6.297 1.00 0.56 C ATOM 628 CG LYS A 34 5.506 7.477 -7.419 1.00 1.21 C ATOM 629 CD LYS A 34 6.461 8.342 -8.232 1.00 1.64 C ATOM 630 CE LYS A 34 5.746 9.056 -9.364 1.00 2.21 C ATOM 631 NZ LYS A 34 6.675 9.897 -10.164 1.00 2.97 N ATOM 0 H LYS A 34 7.999 8.457 -6.507 1.00 0.53 H new ATOM 0 HA LYS A 34 5.804 8.177 -4.782 1.00 0.51 H new ATOM 0 HB2 LYS A 34 7.093 6.222 -6.712 1.00 0.56 H new ATOM 0 HB3 LYS A 34 5.556 5.949 -5.917 1.00 0.56 H new ATOM 0 HG2 LYS A 34 5.016 6.761 -8.079 1.00 1.21 H new ATOM 0 HG3 LYS A 34 4.724 8.105 -6.993 1.00 1.21 H new ATOM 0 HD2 LYS A 34 6.932 9.076 -7.579 1.00 1.64 H new ATOM 0 HD3 LYS A 34 7.258 7.720 -8.640 1.00 1.64 H new ATOM 0 HE2 LYS A 34 5.271 8.321 -10.014 1.00 2.21 H new ATOM 0 HE3 LYS A 34 4.952 9.681 -8.955 1.00 2.21 H new ATOM 0 HZ1 LYS A 34 6.148 10.368 -10.927 1.00 2.97 H new ATOM 0 HZ2 LYS A 34 7.110 10.615 -9.550 1.00 2.97 H new ATOM 0 HZ3 LYS A 34 7.419 9.298 -10.576 1.00 2.97 H new ATOM 645 N LYS A 35 8.477 6.421 -4.051 1.00 0.54 N ATOM 646 CA LYS A 35 9.119 5.628 -3.012 1.00 0.56 C ATOM 647 C LYS A 35 9.105 6.338 -1.656 1.00 0.53 C ATOM 648 O LYS A 35 9.277 5.701 -0.623 1.00 0.55 O ATOM 649 CB LYS A 35 10.556 5.302 -3.412 1.00 0.61 C ATOM 650 CG LYS A 35 10.664 4.478 -4.685 1.00 1.17 C ATOM 651 CD LYS A 35 9.934 3.150 -4.568 1.00 1.56 C ATOM 652 CE LYS A 35 10.516 2.278 -3.468 1.00 2.18 C ATOM 653 NZ LYS A 35 11.935 1.921 -3.731 1.00 2.82 N ATOM 0 H LYS A 35 9.097 6.696 -4.813 1.00 0.54 H new ATOM 0 HA LYS A 35 8.549 4.705 -2.908 1.00 0.56 H new ATOM 0 HB2 LYS A 35 11.107 6.233 -3.545 1.00 0.61 H new ATOM 0 HB3 LYS A 35 11.037 4.760 -2.597 1.00 0.61 H new ATOM 0 HG2 LYS A 35 10.253 5.045 -5.520 1.00 1.17 H new ATOM 0 HG3 LYS A 35 11.715 4.295 -4.911 1.00 1.17 H new ATOM 0 HD2 LYS A 35 8.879 3.333 -4.366 1.00 1.56 H new ATOM 0 HD3 LYS A 35 9.990 2.620 -5.519 1.00 1.56 H new ATOM 0 HE2 LYS A 35 10.445 2.802 -2.515 1.00 2.18 H new ATOM 0 HE3 LYS A 35 9.924 1.367 -3.376 1.00 2.18 H new ATOM 0 HZ1 LYS A 35 12.242 1.194 -3.053 1.00 2.82 H new ATOM 0 HZ2 LYS A 35 12.026 1.552 -4.699 1.00 2.82 H new ATOM 0 HZ3 LYS A 35 12.531 2.767 -3.625 1.00 2.82 H new ATOM 667 N GLU A 36 8.889 7.652 -1.651 1.00 0.51 N ATOM 668 CA GLU A 36 8.866 8.414 -0.410 1.00 0.50 C ATOM 669 C GLU A 36 7.453 8.441 0.164 1.00 0.44 C ATOM 670 O GLU A 36 7.224 8.543 1.370 1.00 0.45 O ATOM 671 CB GLU A 36 9.378 9.832 -0.655 1.00 0.53 C ATOM 672 CG GLU A 36 10.723 9.851 -1.351 1.00 0.61 C ATOM 673 CD GLU A 36 11.326 11.238 -1.456 1.00 0.68 C ATOM 674 OE1 GLU A 36 11.854 11.739 -0.442 1.00 0.85 O ATOM 675 OE2 GLU A 36 11.261 11.839 -2.548 1.00 0.66 O ATOM 0 H GLU A 36 8.728 8.207 -2.491 1.00 0.51 H new ATOM 0 HA GLU A 36 9.522 7.932 0.315 1.00 0.50 H new ATOM 0 HB2 GLU A 36 8.653 10.378 -1.259 1.00 0.53 H new ATOM 0 HB3 GLU A 36 9.458 10.356 0.298 1.00 0.53 H new ATOM 0 HG2 GLU A 36 11.413 9.203 -0.811 1.00 0.61 H new ATOM 0 HG3 GLU A 36 10.612 9.434 -2.352 1.00 0.61 H new ATOM 682 N LEU A 37 6.526 8.296 -0.777 1.00 0.39 N ATOM 683 CA LEU A 37 5.117 8.131 -0.452 1.00 0.36 C ATOM 684 C LEU A 37 4.857 6.708 0.026 1.00 0.36 C ATOM 685 O LEU A 37 4.119 6.483 0.987 1.00 0.35 O ATOM 686 CB LEU A 37 4.271 8.451 -1.681 1.00 0.37 C ATOM 687 CG LEU A 37 4.474 9.859 -2.242 1.00 0.41 C ATOM 688 CD1 LEU A 37 3.885 9.966 -3.633 1.00 1.22 C ATOM 689 CD2 LEU A 37 3.846 10.891 -1.322 1.00 1.01 C ATOM 0 H LEU A 37 6.729 8.290 -1.777 1.00 0.39 H new ATOM 0 HA LEU A 37 4.844 8.817 0.350 1.00 0.36 H new ATOM 0 HB2 LEU A 37 4.499 7.726 -2.462 1.00 0.37 H new ATOM 0 HB3 LEU A 37 3.219 8.324 -1.425 1.00 0.37 H new ATOM 0 HG LEU A 37 5.545 10.054 -2.304 1.00 0.41 H new ATOM 0 HD11 LEU A 37 4.039 10.975 -4.017 1.00 1.22 H new ATOM 0 HD12 LEU A 37 4.375 9.249 -4.292 1.00 1.22 H new ATOM 0 HD13 LEU A 37 2.817 9.752 -3.593 1.00 1.22 H new ATOM 0 HD21 LEU A 37 3.999 11.888 -1.735 1.00 1.01 H new ATOM 0 HD22 LEU A 37 2.777 10.696 -1.232 1.00 1.01 H new ATOM 0 HD23 LEU A 37 4.310 10.831 -0.338 1.00 1.01 H new ATOM 701 N GLU A 38 5.501 5.760 -0.645 1.00 0.39 N ATOM 702 CA GLU A 38 5.488 4.354 -0.249 1.00 0.43 C ATOM 703 C GLU A 38 6.094 4.198 1.142 1.00 0.43 C ATOM 704 O GLU A 38 5.819 3.239 1.855 1.00 0.45 O ATOM 705 CB GLU A 38 6.268 3.529 -1.289 1.00 0.57 C ATOM 706 CG GLU A 38 6.562 2.092 -0.876 1.00 1.35 C ATOM 707 CD GLU A 38 8.026 1.868 -0.533 1.00 2.06 C ATOM 708 OE1 GLU A 38 8.548 2.566 0.365 1.00 2.72 O ATOM 709 OE2 GLU A 38 8.671 1.007 -1.166 1.00 2.49 O ATOM 0 H GLU A 38 6.050 5.945 -1.484 1.00 0.39 H new ATOM 0 HA GLU A 38 4.462 3.989 -0.210 1.00 0.43 H new ATOM 0 HB2 GLU A 38 5.702 3.516 -2.220 1.00 0.57 H new ATOM 0 HB3 GLU A 38 7.212 4.033 -1.497 1.00 0.57 H new ATOM 0 HG2 GLU A 38 5.947 1.833 -0.014 1.00 1.35 H new ATOM 0 HG3 GLU A 38 6.276 1.420 -1.685 1.00 1.35 H new ATOM 716 N ALA A 39 6.854 5.197 1.547 1.00 0.43 N ATOM 717 CA ALA A 39 7.583 5.154 2.797 1.00 0.45 C ATOM 718 C ALA A 39 6.799 5.690 3.981 1.00 0.42 C ATOM 719 O ALA A 39 6.842 5.120 5.072 1.00 0.44 O ATOM 720 CB ALA A 39 8.899 5.902 2.661 1.00 0.49 C ATOM 0 H ALA A 39 6.983 6.060 1.018 1.00 0.43 H new ATOM 0 HA ALA A 39 7.769 4.100 3.005 1.00 0.45 H new ATOM 0 HB1 ALA A 39 9.439 5.863 3.607 1.00 0.49 H new ATOM 0 HB2 ALA A 39 9.502 5.439 1.880 1.00 0.49 H new ATOM 0 HB3 ALA A 39 8.701 6.941 2.398 1.00 0.49 H new ATOM 726 N LYS A 40 6.070 6.784 3.761 1.00 0.39 N ATOM 727 CA LYS A 40 5.192 7.321 4.779 1.00 0.37 C ATOM 728 C LYS A 40 4.137 6.298 5.155 1.00 0.31 C ATOM 729 O LYS A 40 3.960 5.989 6.329 1.00 0.31 O ATOM 730 CB LYS A 40 4.520 8.599 4.285 1.00 0.41 C ATOM 731 CG LYS A 40 5.326 9.862 4.534 1.00 0.79 C ATOM 732 CD LYS A 40 5.456 10.156 6.020 1.00 0.64 C ATOM 733 CE LYS A 40 6.081 11.518 6.272 1.00 0.74 C ATOM 734 NZ LYS A 40 6.087 11.863 7.720 1.00 1.34 N ATOM 0 H LYS A 40 6.076 7.309 2.886 1.00 0.39 H new ATOM 0 HA LYS A 40 5.790 7.556 5.659 1.00 0.37 H new ATOM 0 HB2 LYS A 40 4.331 8.507 3.215 1.00 0.41 H new ATOM 0 HB3 LYS A 40 3.550 8.698 4.773 1.00 0.41 H new ATOM 0 HG2 LYS A 40 6.318 9.754 4.095 1.00 0.79 H new ATOM 0 HG3 LYS A 40 4.847 10.705 4.036 1.00 0.79 H new ATOM 0 HD2 LYS A 40 4.472 10.116 6.486 1.00 0.64 H new ATOM 0 HD3 LYS A 40 6.064 9.384 6.492 1.00 0.64 H new ATOM 0 HE2 LYS A 40 7.103 11.525 5.892 1.00 0.74 H new ATOM 0 HE3 LYS A 40 5.530 12.279 5.719 1.00 0.74 H new ATOM 0 HZ1 LYS A 40 6.653 12.722 7.870 1.00 1.34 H new ATOM 0 HZ2 LYS A 40 5.112 12.030 8.041 1.00 1.34 H new ATOM 0 HZ3 LYS A 40 6.500 11.078 8.262 1.00 1.34 H new ATOM 748 N ILE A 41 3.452 5.765 4.146 1.00 0.29 N ATOM 749 CA ILE A 41 2.406 4.784 4.361 1.00 0.26 C ATOM 750 C ILE A 41 2.926 3.579 5.128 1.00 0.27 C ATOM 751 O ILE A 41 2.298 3.137 6.079 1.00 0.27 O ATOM 752 CB ILE A 41 1.803 4.328 3.023 1.00 0.29 C ATOM 753 CG1 ILE A 41 1.159 5.520 2.321 1.00 0.33 C ATOM 754 CG2 ILE A 41 0.787 3.217 3.241 1.00 0.33 C ATOM 755 CD1 ILE A 41 0.649 5.205 0.939 1.00 0.39 C ATOM 0 H ILE A 41 3.609 6.002 3.166 1.00 0.29 H new ATOM 0 HA ILE A 41 1.629 5.262 4.957 1.00 0.26 H new ATOM 0 HB ILE A 41 2.598 3.932 2.392 1.00 0.29 H new ATOM 0 HG12 ILE A 41 0.332 5.885 2.930 1.00 0.33 H new ATOM 0 HG13 ILE A 41 1.887 6.328 2.255 1.00 0.33 H new ATOM 0 HG21 ILE A 41 0.373 2.909 2.281 1.00 0.33 H new ATOM 0 HG22 ILE A 41 1.275 2.366 3.715 1.00 0.33 H new ATOM 0 HG23 ILE A 41 -0.016 3.579 3.883 1.00 0.33 H new ATOM 0 HD11 ILE A 41 0.205 6.100 0.502 1.00 0.39 H new ATOM 0 HD12 ILE A 41 1.476 4.868 0.314 1.00 0.39 H new ATOM 0 HD13 ILE A 41 -0.103 4.419 0.999 1.00 0.39 H new ATOM 767 N LEU A 42 4.080 3.068 4.727 1.00 0.31 N ATOM 768 CA LEU A 42 4.662 1.905 5.384 1.00 0.35 C ATOM 769 C LEU A 42 5.071 2.209 6.823 1.00 0.35 C ATOM 770 O LEU A 42 5.000 1.345 7.698 1.00 0.38 O ATOM 771 CB LEU A 42 5.892 1.404 4.627 1.00 0.39 C ATOM 772 CG LEU A 42 5.628 0.755 3.269 1.00 0.40 C ATOM 773 CD1 LEU A 42 6.901 0.123 2.743 1.00 0.45 C ATOM 774 CD2 LEU A 42 4.515 -0.279 3.356 1.00 0.40 C ATOM 0 H LEU A 42 4.631 3.438 3.953 1.00 0.31 H new ATOM 0 HA LEU A 42 3.889 1.136 5.388 1.00 0.35 H new ATOM 0 HB2 LEU A 42 6.570 2.245 4.479 1.00 0.39 H new ATOM 0 HB3 LEU A 42 6.412 0.682 5.257 1.00 0.39 H new ATOM 0 HG LEU A 42 5.303 1.532 2.577 1.00 0.40 H new ATOM 0 HD11 LEU A 42 6.705 -0.338 1.775 1.00 0.45 H new ATOM 0 HD12 LEU A 42 7.669 0.889 2.632 1.00 0.45 H new ATOM 0 HD13 LEU A 42 7.246 -0.637 3.444 1.00 0.45 H new ATOM 0 HD21 LEU A 42 4.352 -0.722 2.373 1.00 0.40 H new ATOM 0 HD22 LEU A 42 4.797 -1.059 4.063 1.00 0.40 H new ATOM 0 HD23 LEU A 42 3.597 0.202 3.694 1.00 0.40 H new ATOM 786 N HIS A 43 5.492 3.446 7.055 1.00 0.35 N ATOM 787 CA HIS A 43 5.782 3.913 8.405 1.00 0.37 C ATOM 788 C HIS A 43 4.491 3.976 9.227 1.00 0.35 C ATOM 789 O HIS A 43 4.437 3.467 10.346 1.00 0.40 O ATOM 790 CB HIS A 43 6.452 5.290 8.361 1.00 0.40 C ATOM 791 CG HIS A 43 7.090 5.690 9.656 1.00 0.49 C ATOM 792 ND1 HIS A 43 6.646 6.742 10.431 1.00 1.17 N ATOM 793 CD2 HIS A 43 8.164 5.182 10.303 1.00 1.23 C ATOM 794 CE1 HIS A 43 7.420 6.861 11.492 1.00 0.93 C ATOM 795 NE2 HIS A 43 8.345 5.925 11.439 1.00 0.92 N ATOM 0 H HIS A 43 5.640 4.144 6.326 1.00 0.35 H new ATOM 0 HA HIS A 43 6.467 3.210 8.879 1.00 0.37 H new ATOM 0 HB2 HIS A 43 7.210 5.291 7.577 1.00 0.40 H new ATOM 0 HB3 HIS A 43 5.708 6.038 8.086 1.00 0.40 H new ATOM 0 HD2 HIS A 43 8.767 4.345 9.983 1.00 1.23 H new ATOM 0 HE1 HIS A 43 7.313 7.600 12.272 1.00 0.93 H new ATOM 0 HE2 HIS A 43 9.078 5.777 12.133 1.00 0.92 H new ATOM 804 N TYR A 44 3.449 4.587 8.654 1.00 0.30 N ATOM 805 CA TYR A 44 2.136 4.669 9.303 1.00 0.30 C ATOM 806 C TYR A 44 1.587 3.268 9.557 1.00 0.32 C ATOM 807 O TYR A 44 0.910 3.007 10.550 1.00 0.40 O ATOM 808 CB TYR A 44 1.143 5.434 8.422 1.00 0.31 C ATOM 809 CG TYR A 44 1.562 6.849 8.111 1.00 0.35 C ATOM 810 CD1 TYR A 44 2.206 7.632 9.063 1.00 0.42 C ATOM 811 CD2 TYR A 44 1.318 7.397 6.866 1.00 0.40 C ATOM 812 CE1 TYR A 44 2.589 8.929 8.776 1.00 0.52 C ATOM 813 CE2 TYR A 44 1.698 8.683 6.568 1.00 0.50 C ATOM 814 CZ TYR A 44 2.339 9.456 7.558 1.00 0.58 C ATOM 815 OH TYR A 44 2.716 10.738 7.223 1.00 0.68 O ATOM 0 H TYR A 44 3.490 5.034 7.738 1.00 0.30 H new ATOM 0 HA TYR A 44 2.261 5.196 10.249 1.00 0.30 H new ATOM 0 HB2 TYR A 44 1.011 4.891 7.486 1.00 0.31 H new ATOM 0 HB3 TYR A 44 0.173 5.454 8.919 1.00 0.31 H new ATOM 0 HD1 TYR A 44 2.410 7.221 10.041 1.00 0.42 H new ATOM 0 HD2 TYR A 44 0.820 6.804 6.114 1.00 0.40 H new ATOM 0 HE1 TYR A 44 3.089 9.522 9.527 1.00 0.52 H new ATOM 0 HE2 TYR A 44 1.508 9.097 5.589 1.00 0.50 H new ATOM 0 HH TYR A 44 3.363 11.071 7.879 1.00 0.68 H new ATOM 825 N TYR A 45 1.903 2.389 8.626 1.00 0.30 N ATOM 826 CA TYR A 45 1.440 1.013 8.609 1.00 0.33 C ATOM 827 C TYR A 45 2.042 0.194 9.751 1.00 0.40 C ATOM 828 O TYR A 45 1.337 -0.531 10.453 1.00 0.42 O ATOM 829 CB TYR A 45 1.830 0.433 7.244 1.00 0.35 C ATOM 830 CG TYR A 45 1.569 -1.029 7.039 1.00 0.40 C ATOM 831 CD1 TYR A 45 0.281 -1.527 6.937 1.00 0.41 C ATOM 832 CD2 TYR A 45 2.631 -1.901 6.903 1.00 0.49 C ATOM 833 CE1 TYR A 45 0.064 -2.867 6.705 1.00 0.46 C ATOM 834 CE2 TYR A 45 2.426 -3.240 6.676 1.00 0.54 C ATOM 835 CZ TYR A 45 1.142 -3.720 6.576 1.00 0.53 C ATOM 836 OH TYR A 45 0.936 -5.058 6.339 1.00 0.58 O ATOM 0 H TYR A 45 2.507 2.618 7.837 1.00 0.30 H new ATOM 0 HA TYR A 45 0.361 0.975 8.756 1.00 0.33 H new ATOM 0 HB2 TYR A 45 1.295 0.987 6.473 1.00 0.35 H new ATOM 0 HB3 TYR A 45 2.893 0.615 7.087 1.00 0.35 H new ATOM 0 HD1 TYR A 45 -0.561 -0.859 7.040 1.00 0.41 H new ATOM 0 HD2 TYR A 45 3.640 -1.524 6.976 1.00 0.49 H new ATOM 0 HE1 TYR A 45 -0.943 -3.248 6.624 1.00 0.46 H new ATOM 0 HE2 TYR A 45 3.267 -3.910 6.577 1.00 0.54 H new ATOM 0 HH TYR A 45 0.029 -5.304 6.617 1.00 0.58 H new ATOM 846 N ASP A 46 3.340 0.325 9.955 1.00 0.43 N ATOM 847 CA ASP A 46 4.034 -0.533 10.906 1.00 0.51 C ATOM 848 C ASP A 46 3.795 -0.091 12.343 1.00 0.53 C ATOM 849 O ASP A 46 4.031 -0.854 13.280 1.00 0.60 O ATOM 850 CB ASP A 46 5.526 -0.552 10.613 1.00 0.58 C ATOM 851 CG ASP A 46 6.087 -1.960 10.552 1.00 0.90 C ATOM 852 OD1 ASP A 46 6.332 -2.559 11.617 1.00 1.14 O ATOM 853 OD2 ASP A 46 6.286 -2.480 9.431 1.00 1.20 O ATOM 0 H ASP A 46 3.932 1.008 9.483 1.00 0.43 H new ATOM 0 HA ASP A 46 3.630 -1.539 10.792 1.00 0.51 H new ATOM 0 HB2 ASP A 46 5.713 -0.048 9.665 1.00 0.58 H new ATOM 0 HB3 ASP A 46 6.052 0.012 11.383 1.00 0.58 H new ATOM 858 N GLU A 47 3.325 1.130 12.524 1.00 0.49 N ATOM 859 CA GLU A 47 3.035 1.635 13.858 1.00 0.51 C ATOM 860 C GLU A 47 1.570 1.408 14.237 1.00 0.49 C ATOM 861 O GLU A 47 1.097 1.926 15.251 1.00 0.58 O ATOM 862 CB GLU A 47 3.371 3.123 13.951 1.00 0.53 C ATOM 863 CG GLU A 47 2.602 3.996 12.977 1.00 1.21 C ATOM 864 CD GLU A 47 2.997 5.454 13.070 1.00 1.73 C ATOM 865 OE1 GLU A 47 4.048 5.825 12.509 1.00 2.22 O ATOM 866 OE2 GLU A 47 2.265 6.238 13.715 1.00 2.21 O ATOM 0 H GLU A 47 3.136 1.789 11.769 1.00 0.49 H new ATOM 0 HA GLU A 47 3.658 1.082 14.561 1.00 0.51 H new ATOM 0 HB2 GLU A 47 3.171 3.467 14.966 1.00 0.53 H new ATOM 0 HB3 GLU A 47 4.439 3.255 13.775 1.00 0.53 H new ATOM 0 HG2 GLU A 47 2.774 3.640 11.961 1.00 1.21 H new ATOM 0 HG3 GLU A 47 1.534 3.899 13.172 1.00 1.21 H new ATOM 873 N LEU A 48 0.853 0.636 13.420 1.00 0.44 N ATOM 874 CA LEU A 48 -0.566 0.386 13.631 1.00 0.46 C ATOM 875 C LEU A 48 -0.842 -0.485 14.864 1.00 0.69 C ATOM 876 O LEU A 48 0.010 -0.672 15.734 1.00 1.11 O ATOM 877 CB LEU A 48 -1.145 -0.233 12.352 1.00 0.37 C ATOM 878 CG LEU A 48 -1.286 0.746 11.192 1.00 0.36 C ATOM 879 CD1 LEU A 48 -1.817 0.039 9.963 1.00 0.44 C ATOM 880 CD2 LEU A 48 -2.203 1.885 11.591 1.00 0.47 C ATOM 0 H LEU A 48 1.240 0.171 12.599 1.00 0.44 H new ATOM 0 HA LEU A 48 -1.061 1.335 13.839 1.00 0.46 H new ATOM 0 HB2 LEU A 48 -0.506 -1.059 12.040 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -2.124 -0.655 12.577 1.00 0.37 H new ATOM 0 HG LEU A 48 -0.304 1.153 10.950 1.00 0.36 H new ATOM 0 HD11 LEU A 48 -1.911 0.753 9.145 1.00 0.44 H new ATOM 0 HD12 LEU A 48 -1.128 -0.755 9.674 1.00 0.44 H new ATOM 0 HD13 LEU A 48 -2.794 -0.391 10.184 1.00 0.44 H new ATOM 0 HD21 LEU A 48 -2.301 2.582 10.759 1.00 0.47 H new ATOM 0 HD22 LEU A 48 -3.185 1.488 11.849 1.00 0.47 H new ATOM 0 HD23 LEU A 48 -1.784 2.405 12.452 1.00 0.47 H new ATOM 892 N GLU A 49 -2.045 -1.026 14.903 1.00 0.61 N ATOM 893 CA GLU A 49 -2.562 -1.721 16.079 1.00 0.86 C ATOM 894 C GLU A 49 -2.974 -3.140 15.704 1.00 0.61 C ATOM 895 O GLU A 49 -2.417 -3.719 14.777 1.00 1.16 O ATOM 896 CB GLU A 49 -3.756 -0.960 16.661 1.00 1.42 C ATOM 897 CG GLU A 49 -3.448 0.485 17.013 1.00 1.33 C ATOM 898 CD GLU A 49 -4.601 1.168 17.714 1.00 2.01 C ATOM 899 OE1 GLU A 49 -5.585 1.531 17.036 1.00 2.83 O ATOM 900 OE2 GLU A 49 -4.532 1.343 18.946 1.00 2.19 O ATOM 0 H GLU A 49 -2.698 -0.999 14.120 1.00 0.61 H new ATOM 0 HA GLU A 49 -1.778 -1.768 16.835 1.00 0.86 H new ATOM 0 HB2 GLU A 49 -4.575 -0.983 15.942 1.00 1.42 H new ATOM 0 HB3 GLU A 49 -4.103 -1.476 17.556 1.00 1.42 H new ATOM 0 HG2 GLU A 49 -2.566 0.520 17.653 1.00 1.33 H new ATOM 0 HG3 GLU A 49 -3.204 1.033 16.103 1.00 1.33 H new ATOM 907 N GLY A 50 -3.946 -3.697 16.419 1.00 0.74 N ATOM 908 CA GLY A 50 -4.412 -5.039 16.124 1.00 0.61 C ATOM 909 C GLY A 50 -5.220 -5.096 14.840 1.00 0.54 C ATOM 910 O GLY A 50 -4.674 -5.357 13.765 1.00 0.54 O ATOM 0 H GLY A 50 -4.420 -3.242 17.199 1.00 0.74 H new ATOM 0 HA2 GLY A 50 -3.556 -5.709 16.043 1.00 0.61 H new ATOM 0 HA3 GLY A 50 -5.022 -5.400 16.952 1.00 0.61 H new ATOM 914 N ASP A 51 -6.517 -4.830 14.944 1.00 0.54 N ATOM 915 CA ASP A 51 -7.393 -4.816 13.774 1.00 0.52 C ATOM 916 C ASP A 51 -6.995 -3.699 12.830 1.00 0.46 C ATOM 917 O ASP A 51 -7.198 -3.809 11.631 1.00 0.46 O ATOM 918 CB ASP A 51 -8.862 -4.660 14.176 1.00 0.58 C ATOM 919 CG ASP A 51 -9.573 -5.991 14.314 1.00 1.53 C ATOM 920 OD1 ASP A 51 -10.105 -6.498 13.303 1.00 2.06 O ATOM 921 OD2 ASP A 51 -9.603 -6.539 15.438 1.00 2.37 O ATOM 0 H ASP A 51 -6.987 -4.621 15.825 1.00 0.54 H new ATOM 0 HA ASP A 51 -7.280 -5.774 13.266 1.00 0.52 H new ATOM 0 HB2 ASP A 51 -8.921 -4.121 15.122 1.00 0.58 H new ATOM 0 HB3 ASP A 51 -9.376 -4.053 13.431 1.00 0.58 H new ATOM 926 N ALA A 52 -6.414 -2.630 13.368 1.00 0.43 N ATOM 927 CA ALA A 52 -5.985 -1.506 12.540 1.00 0.41 C ATOM 928 C ALA A 52 -5.017 -1.988 11.472 1.00 0.40 C ATOM 929 O ALA A 52 -5.146 -1.662 10.295 1.00 0.40 O ATOM 930 CB ALA A 52 -5.352 -0.416 13.390 1.00 0.42 C ATOM 0 H ALA A 52 -6.230 -2.518 14.365 1.00 0.43 H new ATOM 0 HA ALA A 52 -6.861 -1.079 12.052 1.00 0.41 H new ATOM 0 HB1 ALA A 52 -5.041 0.410 12.750 1.00 0.42 H new ATOM 0 HB2 ALA A 52 -6.077 -0.056 14.120 1.00 0.42 H new ATOM 0 HB3 ALA A 52 -4.483 -0.819 13.910 1.00 0.42 H new ATOM 936 N LYS A 53 -4.043 -2.777 11.912 1.00 0.40 N ATOM 937 CA LYS A 53 -2.985 -3.257 11.043 1.00 0.41 C ATOM 938 C LYS A 53 -3.571 -4.259 10.062 1.00 0.41 C ATOM 939 O LYS A 53 -3.320 -4.180 8.866 1.00 0.40 O ATOM 940 CB LYS A 53 -1.871 -3.887 11.888 1.00 0.47 C ATOM 941 CG LYS A 53 -0.484 -3.855 11.262 1.00 0.52 C ATOM 942 CD LYS A 53 -0.283 -4.966 10.249 1.00 0.94 C ATOM 943 CE LYS A 53 1.159 -5.012 9.763 1.00 0.83 C ATOM 944 NZ LYS A 53 1.388 -6.114 8.793 1.00 1.62 N ATOM 0 H LYS A 53 -3.968 -3.098 12.877 1.00 0.40 H new ATOM 0 HA LYS A 53 -2.551 -2.431 10.479 1.00 0.41 H new ATOM 0 HB2 LYS A 53 -1.830 -3.373 12.848 1.00 0.47 H new ATOM 0 HB3 LYS A 53 -2.135 -4.924 12.093 1.00 0.47 H new ATOM 0 HG2 LYS A 53 -0.329 -2.891 10.776 1.00 0.52 H new ATOM 0 HG3 LYS A 53 0.268 -3.941 12.046 1.00 0.52 H new ATOM 0 HD2 LYS A 53 -0.549 -5.923 10.697 1.00 0.94 H new ATOM 0 HD3 LYS A 53 -0.951 -4.814 9.401 1.00 0.94 H new ATOM 0 HE2 LYS A 53 1.414 -4.060 9.297 1.00 0.83 H new ATOM 0 HE3 LYS A 53 1.825 -5.137 10.617 1.00 0.83 H new ATOM 0 HZ1 LYS A 53 2.350 -6.490 8.915 1.00 1.62 H new ATOM 0 HZ2 LYS A 53 0.696 -6.873 8.960 1.00 1.62 H new ATOM 0 HZ3 LYS A 53 1.278 -5.752 7.824 1.00 1.62 H new ATOM 958 N LYS A 54 -4.365 -5.185 10.588 1.00 0.44 N ATOM 959 CA LYS A 54 -5.082 -6.153 9.764 1.00 0.47 C ATOM 960 C LYS A 54 -5.920 -5.447 8.696 1.00 0.44 C ATOM 961 O LYS A 54 -5.852 -5.792 7.517 1.00 0.46 O ATOM 962 CB LYS A 54 -5.948 -7.049 10.653 1.00 0.52 C ATOM 963 CG LYS A 54 -7.416 -7.098 10.268 1.00 0.99 C ATOM 964 CD LYS A 54 -8.066 -8.352 10.811 1.00 0.97 C ATOM 965 CE LYS A 54 -9.511 -8.487 10.358 1.00 1.74 C ATOM 966 NZ LYS A 54 -10.340 -7.320 10.762 1.00 2.49 N ATOM 0 H LYS A 54 -4.530 -5.286 11.590 1.00 0.44 H new ATOM 0 HA LYS A 54 -4.358 -6.780 9.244 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -5.546 -8.062 10.626 1.00 0.52 H new ATOM 0 HB3 LYS A 54 -5.868 -6.701 11.683 1.00 0.52 H new ATOM 0 HG2 LYS A 54 -7.929 -6.218 10.656 1.00 0.99 H new ATOM 0 HG3 LYS A 54 -7.514 -7.071 9.183 1.00 0.99 H new ATOM 0 HD2 LYS A 54 -7.500 -9.224 10.483 1.00 0.97 H new ATOM 0 HD3 LYS A 54 -8.027 -8.338 11.900 1.00 0.97 H new ATOM 0 HE2 LYS A 54 -9.541 -8.593 9.274 1.00 1.74 H new ATOM 0 HE3 LYS A 54 -9.938 -9.397 10.780 1.00 1.74 H new ATOM 0 HZ1 LYS A 54 -11.307 -7.638 10.975 1.00 2.49 H new ATOM 0 HZ2 LYS A 54 -9.927 -6.877 11.607 1.00 2.49 H new ATOM 0 HZ3 LYS A 54 -10.367 -6.628 9.986 1.00 2.49 H new ATOM 980 N GLU A 55 -6.669 -4.433 9.114 1.00 0.42 N ATOM 981 CA GLU A 55 -7.546 -3.700 8.220 1.00 0.41 C ATOM 982 C GLU A 55 -6.744 -2.919 7.203 1.00 0.39 C ATOM 983 O GLU A 55 -7.058 -2.957 6.014 1.00 0.41 O ATOM 984 CB GLU A 55 -8.443 -2.771 9.033 1.00 0.42 C ATOM 985 CG GLU A 55 -9.632 -3.481 9.648 1.00 0.89 C ATOM 986 CD GLU A 55 -10.624 -2.524 10.269 1.00 1.39 C ATOM 987 OE1 GLU A 55 -11.259 -1.756 9.525 1.00 1.34 O ATOM 988 OE2 GLU A 55 -10.771 -2.537 11.510 1.00 2.27 O ATOM 0 H GLU A 55 -6.683 -4.100 10.078 1.00 0.42 H new ATOM 0 HA GLU A 55 -8.171 -4.408 7.676 1.00 0.41 H new ATOM 0 HB2 GLU A 55 -7.854 -2.308 9.825 1.00 0.42 H new ATOM 0 HB3 GLU A 55 -8.800 -1.966 8.390 1.00 0.42 H new ATOM 0 HG2 GLU A 55 -10.134 -4.072 8.882 1.00 0.89 H new ATOM 0 HG3 GLU A 55 -9.280 -4.178 10.409 1.00 0.89 H new ATOM 995 N ALA A 56 -5.716 -2.217 7.644 1.00 0.36 N ATOM 996 CA ALA A 56 -4.882 -1.486 6.713 1.00 0.34 C ATOM 997 C ALA A 56 -4.262 -2.444 5.715 1.00 0.36 C ATOM 998 O ALA A 56 -4.350 -2.233 4.513 1.00 0.37 O ATOM 999 CB ALA A 56 -3.816 -0.689 7.438 1.00 0.31 C ATOM 0 H ALA A 56 -5.443 -2.139 8.624 1.00 0.36 H new ATOM 0 HA ALA A 56 -5.507 -0.774 6.174 1.00 0.34 H new ATOM 0 HB1 ALA A 56 -3.206 -0.152 6.712 1.00 0.31 H new ATOM 0 HB2 ALA A 56 -4.290 0.024 8.112 1.00 0.31 H new ATOM 0 HB3 ALA A 56 -3.183 -1.366 8.012 1.00 0.31 H new ATOM 1005 N THR A 57 -3.652 -3.502 6.226 1.00 0.38 N ATOM 1006 CA THR A 57 -3.029 -4.508 5.386 1.00 0.41 C ATOM 1007 C THR A 57 -3.971 -5.025 4.301 1.00 0.44 C ATOM 1008 O THR A 57 -3.602 -5.151 3.137 1.00 0.45 O ATOM 1009 CB THR A 57 -2.545 -5.713 6.211 1.00 0.45 C ATOM 1010 OG1 THR A 57 -1.651 -5.283 7.237 1.00 0.43 O ATOM 1011 CG2 THR A 57 -1.851 -6.726 5.320 1.00 0.51 C ATOM 0 H THR A 57 -3.576 -3.685 7.227 1.00 0.38 H new ATOM 0 HA THR A 57 -2.180 -4.011 4.917 1.00 0.41 H new ATOM 0 HB THR A 57 -3.415 -6.184 6.669 1.00 0.45 H new ATOM 0 HG1 THR A 57 -2.128 -4.698 7.862 1.00 0.43 H new ATOM 0 HG21 THR A 57 -1.516 -7.571 5.922 1.00 0.51 H new ATOM 0 HG22 THR A 57 -2.547 -7.077 4.558 1.00 0.51 H new ATOM 0 HG23 THR A 57 -0.991 -6.259 4.839 1.00 0.51 H new ATOM 1019 N GLU A 58 -5.217 -5.272 4.713 1.00 0.45 N ATOM 1020 CA GLU A 58 -6.277 -5.710 3.815 1.00 0.49 C ATOM 1021 C GLU A 58 -6.605 -4.634 2.778 1.00 0.48 C ATOM 1022 O GLU A 58 -6.991 -4.946 1.649 1.00 0.53 O ATOM 1023 CB GLU A 58 -7.528 -6.077 4.625 1.00 0.52 C ATOM 1024 CG GLU A 58 -7.404 -7.393 5.369 1.00 0.78 C ATOM 1025 CD GLU A 58 -7.056 -8.549 4.460 1.00 1.14 C ATOM 1026 OE1 GLU A 58 -7.897 -8.926 3.614 1.00 1.37 O ATOM 1027 OE2 GLU A 58 -5.944 -9.101 4.597 1.00 1.71 O ATOM 0 H GLU A 58 -5.515 -5.172 5.683 1.00 0.45 H new ATOM 0 HA GLU A 58 -5.929 -6.592 3.277 1.00 0.49 H new ATOM 0 HB2 GLU A 58 -7.733 -5.282 5.342 1.00 0.52 H new ATOM 0 HB3 GLU A 58 -8.384 -6.129 3.952 1.00 0.52 H new ATOM 0 HG2 GLU A 58 -6.638 -7.299 6.139 1.00 0.78 H new ATOM 0 HG3 GLU A 58 -8.344 -7.607 5.878 1.00 0.78 H new ATOM 1034 N HIS A 59 -6.435 -3.370 3.150 1.00 0.43 N ATOM 1035 CA HIS A 59 -6.707 -2.266 2.237 1.00 0.43 C ATOM 1036 C HIS A 59 -5.564 -2.123 1.248 1.00 0.42 C ATOM 1037 O HIS A 59 -5.782 -2.030 0.037 1.00 0.44 O ATOM 1038 CB HIS A 59 -6.900 -0.947 2.991 1.00 0.40 C ATOM 1039 CG HIS A 59 -8.192 -0.840 3.740 1.00 0.48 C ATOM 1040 ND1 HIS A 59 -9.422 -1.057 3.160 1.00 0.72 N ATOM 1041 CD2 HIS A 59 -8.441 -0.518 5.031 1.00 0.42 C ATOM 1042 CE1 HIS A 59 -10.368 -0.869 4.061 1.00 0.77 C ATOM 1043 NE2 HIS A 59 -9.799 -0.543 5.206 1.00 0.57 N ATOM 0 H HIS A 59 -6.111 -3.085 4.074 1.00 0.43 H new ATOM 0 HA HIS A 59 -7.632 -2.492 1.706 1.00 0.43 H new ATOM 0 HB2 HIS A 59 -6.076 -0.822 3.694 1.00 0.40 H new ATOM 0 HB3 HIS A 59 -6.839 -0.124 2.279 1.00 0.40 H new ATOM 0 HD2 HIS A 59 -7.704 -0.284 5.785 1.00 0.42 H new ATOM 0 HE1 HIS A 59 -11.430 -0.966 3.890 1.00 0.77 H new ATOM 0 HE2 HIS A 59 -10.290 -0.343 6.078 1.00 0.57 H new ATOM 1052 N LEU A 60 -4.346 -2.089 1.778 1.00 0.40 N ATOM 1053 CA LEU A 60 -3.149 -2.081 0.973 1.00 0.40 C ATOM 1054 C LEU A 60 -3.096 -3.281 0.037 1.00 0.43 C ATOM 1055 O LEU A 60 -2.555 -3.185 -1.060 1.00 0.43 O ATOM 1056 CB LEU A 60 -1.919 -2.050 1.870 1.00 0.39 C ATOM 1057 CG LEU A 60 -1.587 -0.670 2.419 1.00 0.38 C ATOM 1058 CD1 LEU A 60 -2.630 -0.194 3.397 1.00 0.62 C ATOM 1059 CD2 LEU A 60 -0.196 -0.639 3.035 1.00 0.59 C ATOM 0 H LEU A 60 -4.170 -2.066 2.782 1.00 0.40 H new ATOM 0 HA LEU A 60 -3.164 -1.183 0.355 1.00 0.40 H new ATOM 0 HB2 LEU A 60 -2.073 -2.734 2.704 1.00 0.39 H new ATOM 0 HB3 LEU A 60 -1.062 -2.422 1.308 1.00 0.39 H new ATOM 0 HG LEU A 60 -1.592 0.023 1.577 1.00 0.38 H new ATOM 0 HD11 LEU A 60 -2.358 0.795 3.767 1.00 0.62 H new ATOM 0 HD12 LEU A 60 -3.598 -0.141 2.899 1.00 0.62 H new ATOM 0 HD13 LEU A 60 -2.689 -0.891 4.233 1.00 0.62 H new ATOM 0 HD21 LEU A 60 0.010 0.361 3.418 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -0.144 -1.358 3.852 1.00 0.59 H new ATOM 0 HD23 LEU A 60 0.543 -0.897 2.277 1.00 0.59 H new ATOM 1071 N LYS A 61 -3.652 -4.409 0.472 1.00 0.46 N ATOM 1072 CA LYS A 61 -3.743 -5.580 -0.388 1.00 0.50 C ATOM 1073 C LYS A 61 -4.558 -5.260 -1.624 1.00 0.53 C ATOM 1074 O LYS A 61 -4.109 -5.496 -2.739 1.00 0.56 O ATOM 1075 CB LYS A 61 -4.355 -6.776 0.343 1.00 0.51 C ATOM 1076 CG LYS A 61 -3.378 -7.511 1.244 1.00 0.57 C ATOM 1077 CD LYS A 61 -4.054 -8.669 1.951 1.00 0.57 C ATOM 1078 CE LYS A 61 -3.092 -9.417 2.857 1.00 0.59 C ATOM 1079 NZ LYS A 61 -3.795 -10.440 3.675 1.00 0.67 N ATOM 0 H LYS A 61 -4.042 -4.534 1.406 1.00 0.46 H new ATOM 0 HA LYS A 61 -2.729 -5.851 -0.681 1.00 0.50 H new ATOM 0 HB2 LYS A 61 -5.198 -6.431 0.942 1.00 0.51 H new ATOM 0 HB3 LYS A 61 -4.752 -7.475 -0.393 1.00 0.51 H new ATOM 0 HG2 LYS A 61 -2.540 -7.881 0.653 1.00 0.57 H new ATOM 0 HG3 LYS A 61 -2.968 -6.820 1.981 1.00 0.57 H new ATOM 0 HD2 LYS A 61 -4.892 -8.296 2.540 1.00 0.57 H new ATOM 0 HD3 LYS A 61 -4.465 -9.356 1.211 1.00 0.57 H new ATOM 0 HE2 LYS A 61 -2.323 -9.899 2.253 1.00 0.59 H new ATOM 0 HE3 LYS A 61 -2.586 -8.710 3.514 1.00 0.59 H new ATOM 0 HZ1 LYS A 61 -3.210 -10.689 4.498 1.00 0.67 H new ATOM 0 HZ2 LYS A 61 -4.706 -10.058 4.001 1.00 0.67 H new ATOM 0 HZ3 LYS A 61 -3.962 -11.290 3.099 1.00 0.67 H new ATOM 1093 N GLY A 62 -5.765 -4.740 -1.423 1.00 0.53 N ATOM 1094 CA GLY A 62 -6.589 -4.306 -2.535 1.00 0.56 C ATOM 1095 C GLY A 62 -5.883 -3.284 -3.406 1.00 0.55 C ATOM 1096 O GLY A 62 -5.980 -3.336 -4.627 1.00 0.59 O ATOM 0 H GLY A 62 -6.188 -4.611 -0.504 1.00 0.53 H new ATOM 0 HA2 GLY A 62 -6.863 -5.170 -3.141 1.00 0.56 H new ATOM 0 HA3 GLY A 62 -7.516 -3.877 -2.153 1.00 0.56 H new ATOM 1100 N GLY A 63 -5.180 -2.347 -2.776 1.00 0.50 N ATOM 1101 CA GLY A 63 -4.383 -1.385 -3.522 1.00 0.49 C ATOM 1102 C GLY A 63 -3.325 -2.065 -4.367 1.00 0.49 C ATOM 1103 O GLY A 63 -3.178 -1.779 -5.559 1.00 0.50 O ATOM 0 H GLY A 63 -5.147 -2.236 -1.763 1.00 0.50 H new ATOM 0 HA2 GLY A 63 -5.035 -0.793 -4.164 1.00 0.49 H new ATOM 0 HA3 GLY A 63 -3.905 -0.693 -2.828 1.00 0.49 H new ATOM 1107 N CYS A 64 -2.597 -2.979 -3.742 1.00 0.51 N ATOM 1108 CA CYS A 64 -1.608 -3.783 -4.435 1.00 0.55 C ATOM 1109 C CYS A 64 -2.270 -4.590 -5.541 1.00 0.56 C ATOM 1110 O CYS A 64 -1.729 -4.711 -6.635 1.00 0.56 O ATOM 1111 CB CYS A 64 -0.907 -4.719 -3.453 1.00 0.68 C ATOM 1112 SG CYS A 64 0.245 -5.890 -4.238 1.00 1.13 S ATOM 0 H CYS A 64 -2.676 -3.181 -2.745 1.00 0.51 H new ATOM 0 HA CYS A 64 -0.866 -3.119 -4.879 1.00 0.55 H new ATOM 0 HB2 CYS A 64 -0.360 -4.121 -2.724 1.00 0.68 H new ATOM 0 HB3 CYS A 64 -1.661 -5.281 -2.902 1.00 0.68 H new ATOM 1117 N ARG A 65 -3.450 -5.122 -5.244 1.00 0.62 N ATOM 1118 CA ARG A 65 -4.235 -5.871 -6.214 1.00 0.67 C ATOM 1119 C ARG A 65 -4.451 -5.047 -7.472 1.00 0.65 C ATOM 1120 O ARG A 65 -4.269 -5.540 -8.570 1.00 0.79 O ATOM 1121 CB ARG A 65 -5.590 -6.261 -5.622 1.00 0.76 C ATOM 1122 CG ARG A 65 -6.484 -7.026 -6.585 1.00 0.86 C ATOM 1123 CD ARG A 65 -7.919 -7.069 -6.091 1.00 1.49 C ATOM 1124 NE ARG A 65 -8.508 -5.731 -6.016 1.00 2.07 N ATOM 1125 CZ ARG A 65 -9.356 -5.334 -5.069 1.00 2.91 C ATOM 1126 NH1 ARG A 65 -9.746 -6.175 -4.117 1.00 3.31 N ATOM 1127 NH2 ARG A 65 -9.825 -4.093 -5.086 1.00 3.80 N ATOM 0 H ARG A 65 -3.887 -5.046 -4.326 1.00 0.62 H new ATOM 0 HA ARG A 65 -3.683 -6.776 -6.469 1.00 0.67 H new ATOM 0 HB2 ARG A 65 -5.426 -6.869 -4.733 1.00 0.76 H new ATOM 0 HB3 ARG A 65 -6.108 -5.358 -5.299 1.00 0.76 H new ATOM 0 HG2 ARG A 65 -6.450 -6.556 -7.568 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -6.108 -8.042 -6.704 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -8.515 -7.692 -6.758 1.00 1.49 H new ATOM 0 HD3 ARG A 65 -7.951 -7.536 -5.107 1.00 1.49 H new ATOM 0 HE ARG A 65 -8.252 -5.057 -6.738 1.00 2.07 H new ATOM 0 HH11 ARG A 65 -9.396 -7.133 -4.108 1.00 3.31 H new ATOM 0 HH12 ARG A 65 -10.396 -5.863 -3.395 1.00 3.31 H new ATOM 0 HH21 ARG A 65 -9.536 -3.449 -5.822 1.00 3.80 H new ATOM 0 HH22 ARG A 65 -10.475 -3.783 -4.363 1.00 3.80 H new ATOM 1141 N GLU A 66 -4.818 -3.783 -7.296 1.00 0.55 N ATOM 1142 CA GLU A 66 -5.085 -2.899 -8.422 1.00 0.55 C ATOM 1143 C GLU A 66 -3.837 -2.709 -9.282 1.00 0.48 C ATOM 1144 O GLU A 66 -3.918 -2.707 -10.511 1.00 0.47 O ATOM 1145 CB GLU A 66 -5.600 -1.548 -7.927 1.00 0.62 C ATOM 1146 CG GLU A 66 -6.863 -1.657 -7.088 1.00 0.75 C ATOM 1147 CD GLU A 66 -7.989 -2.370 -7.808 1.00 1.27 C ATOM 1148 OE1 GLU A 66 -8.725 -1.710 -8.567 1.00 1.61 O ATOM 1149 OE2 GLU A 66 -8.157 -3.591 -7.605 1.00 2.02 O ATOM 0 H GLU A 66 -4.937 -3.347 -6.381 1.00 0.55 H new ATOM 0 HA GLU A 66 -5.853 -3.364 -9.040 1.00 0.55 H new ATOM 0 HB2 GLU A 66 -4.821 -1.064 -7.338 1.00 0.62 H new ATOM 0 HB3 GLU A 66 -5.796 -0.905 -8.785 1.00 0.62 H new ATOM 0 HG2 GLU A 66 -6.635 -2.189 -6.164 1.00 0.75 H new ATOM 0 HG3 GLU A 66 -7.194 -0.657 -6.807 1.00 0.75 H new ATOM 1156 N ILE A 67 -2.684 -2.559 -8.638 1.00 0.47 N ATOM 1157 CA ILE A 67 -1.421 -2.463 -9.364 1.00 0.47 C ATOM 1158 C ILE A 67 -1.068 -3.805 -9.992 1.00 0.45 C ATOM 1159 O ILE A 67 -0.631 -3.870 -11.141 1.00 0.45 O ATOM 1160 CB ILE A 67 -0.267 -1.985 -8.452 1.00 0.58 C ATOM 1161 CG1 ILE A 67 -0.487 -0.514 -8.079 1.00 0.67 C ATOM 1162 CG2 ILE A 67 1.088 -2.183 -9.136 1.00 0.60 C ATOM 1163 CD1 ILE A 67 0.588 0.069 -7.190 1.00 0.81 C ATOM 0 H ILE A 67 -2.597 -2.502 -7.623 1.00 0.47 H new ATOM 0 HA ILE A 67 -1.552 -1.720 -10.150 1.00 0.47 H new ATOM 0 HB ILE A 67 -0.262 -2.583 -7.541 1.00 0.58 H new ATOM 0 HG12 ILE A 67 -0.545 0.076 -8.994 1.00 0.67 H new ATOM 0 HG13 ILE A 67 -1.449 -0.419 -7.576 1.00 0.67 H new ATOM 0 HG21 ILE A 67 1.883 -1.839 -8.474 1.00 0.60 H new ATOM 0 HG22 ILE A 67 1.232 -3.240 -9.358 1.00 0.60 H new ATOM 0 HG23 ILE A 67 1.115 -1.611 -10.063 1.00 0.60 H new ATOM 0 HD11 ILE A 67 0.356 1.112 -6.974 1.00 0.81 H new ATOM 0 HD12 ILE A 67 0.633 -0.493 -6.257 1.00 0.81 H new ATOM 0 HD13 ILE A 67 1.551 0.009 -7.697 1.00 0.81 H new ATOM 1175 N LEU A 68 -1.287 -4.871 -9.236 1.00 0.61 N ATOM 1176 CA LEU A 68 -1.037 -6.230 -9.696 1.00 0.80 C ATOM 1177 C LEU A 68 -1.990 -6.568 -10.853 1.00 0.82 C ATOM 1178 O LEU A 68 -1.695 -7.400 -11.708 1.00 0.88 O ATOM 1179 CB LEU A 68 -1.198 -7.194 -8.506 1.00 1.12 C ATOM 1180 CG LEU A 68 -0.658 -8.614 -8.689 1.00 1.34 C ATOM 1181 CD1 LEU A 68 -1.733 -9.529 -9.245 1.00 1.58 C ATOM 1182 CD2 LEU A 68 0.576 -8.608 -9.579 1.00 1.71 C ATOM 0 H LEU A 68 -1.645 -4.818 -8.282 1.00 0.61 H new ATOM 0 HA LEU A 68 -0.020 -6.329 -10.077 1.00 0.80 H new ATOM 0 HB2 LEU A 68 -0.703 -6.752 -7.641 1.00 1.12 H new ATOM 0 HB3 LEU A 68 -2.259 -7.263 -8.266 1.00 1.12 H new ATOM 0 HG LEU A 68 -0.364 -9.000 -7.713 1.00 1.34 H new ATOM 0 HD11 LEU A 68 -1.328 -10.534 -9.367 1.00 1.58 H new ATOM 0 HD12 LEU A 68 -2.577 -9.559 -8.556 1.00 1.58 H new ATOM 0 HD13 LEU A 68 -2.067 -9.152 -10.212 1.00 1.58 H new ATOM 0 HD21 LEU A 68 0.945 -9.627 -9.697 1.00 1.71 H new ATOM 0 HD22 LEU A 68 0.318 -8.200 -10.556 1.00 1.71 H new ATOM 0 HD23 LEU A 68 1.351 -7.992 -9.122 1.00 1.71 H new ATOM 1194 N LYS A 69 -3.091 -5.832 -10.892 1.00 0.95 N ATOM 1195 CA LYS A 69 -4.044 -5.957 -11.989 1.00 1.24 C ATOM 1196 C LYS A 69 -3.523 -5.285 -13.245 1.00 1.20 C ATOM 1197 O LYS A 69 -4.075 -5.459 -14.330 1.00 1.61 O ATOM 1198 CB LYS A 69 -5.430 -5.417 -11.627 1.00 1.39 C ATOM 1199 CG LYS A 69 -6.196 -6.313 -10.666 1.00 1.43 C ATOM 1200 CD LYS A 69 -7.693 -6.053 -10.706 1.00 1.50 C ATOM 1201 CE LYS A 69 -8.302 -6.510 -12.024 1.00 1.68 C ATOM 1202 NZ LYS A 69 -9.786 -6.435 -12.019 1.00 2.22 N ATOM 0 H LYS A 69 -3.347 -5.146 -10.182 1.00 0.95 H new ATOM 0 HA LYS A 69 -4.155 -7.024 -12.183 1.00 1.24 H new ATOM 0 HB2 LYS A 69 -5.321 -4.428 -11.182 1.00 1.39 H new ATOM 0 HB3 LYS A 69 -6.013 -5.293 -12.540 1.00 1.39 H new ATOM 0 HG2 LYS A 69 -6.004 -7.357 -10.914 1.00 1.43 H new ATOM 0 HG3 LYS A 69 -5.828 -6.153 -9.652 1.00 1.43 H new ATOM 0 HD2 LYS A 69 -8.176 -6.575 -9.880 1.00 1.50 H new ATOM 0 HD3 LYS A 69 -7.883 -4.989 -10.566 1.00 1.50 H new ATOM 0 HE2 LYS A 69 -7.913 -5.893 -12.834 1.00 1.68 H new ATOM 0 HE3 LYS A 69 -7.994 -7.535 -12.227 1.00 1.68 H new ATOM 0 HZ1 LYS A 69 -10.146 -6.608 -12.979 1.00 2.22 H new ATOM 0 HZ2 LYS A 69 -10.168 -7.154 -11.371 1.00 2.22 H new ATOM 0 HZ3 LYS A 69 -10.085 -5.490 -11.703 1.00 2.22 H new ATOM 1216 N HIS A 70 -2.464 -4.508 -13.096 1.00 1.05 N ATOM 1217 CA HIS A 70 -1.846 -3.847 -14.226 1.00 1.16 C ATOM 1218 C HIS A 70 -0.617 -4.640 -14.635 1.00 0.91 C ATOM 1219 O HIS A 70 -0.474 -5.076 -15.774 1.00 0.89 O ATOM 1220 CB HIS A 70 -1.464 -2.400 -13.881 1.00 1.41 C ATOM 1221 CG HIS A 70 -0.739 -1.688 -14.986 1.00 1.41 C ATOM 1222 ND1 HIS A 70 -1.319 -0.715 -15.767 1.00 1.59 N ATOM 1223 CD2 HIS A 70 0.533 -1.815 -15.433 1.00 1.49 C ATOM 1224 CE1 HIS A 70 -0.440 -0.280 -16.649 1.00 1.76 C ATOM 1225 NE2 HIS A 70 0.695 -0.931 -16.470 1.00 1.74 N ATOM 0 H HIS A 70 -2.015 -4.321 -12.199 1.00 1.05 H new ATOM 0 HA HIS A 70 -2.555 -3.806 -15.053 1.00 1.16 H new ATOM 0 HB2 HIS A 70 -2.368 -1.844 -13.634 1.00 1.41 H new ATOM 0 HB3 HIS A 70 -0.837 -2.402 -12.989 1.00 1.41 H new ATOM 0 HD2 HIS A 70 1.283 -2.489 -15.045 1.00 1.49 H new ATOM 0 HE1 HIS A 70 -0.619 0.482 -17.394 1.00 1.76 H new ATOM 0 HE2 HIS A 70 1.549 -0.799 -17.012 1.00 1.74 H new ATOM 1234 N VAL A 71 0.268 -4.815 -13.656 1.00 0.76 N ATOM 1235 CA VAL A 71 1.577 -5.383 -13.868 1.00 0.69 C ATOM 1236 C VAL A 71 1.512 -6.853 -14.285 1.00 0.52 C ATOM 1237 O VAL A 71 2.171 -7.254 -15.237 1.00 0.59 O ATOM 1238 CB VAL A 71 2.448 -5.180 -12.608 1.00 0.81 C ATOM 1239 CG1 VAL A 71 1.769 -5.687 -11.377 1.00 1.01 C ATOM 1240 CG2 VAL A 71 3.797 -5.817 -12.755 1.00 1.46 C ATOM 0 H VAL A 71 0.084 -4.560 -12.686 1.00 0.76 H new ATOM 0 HA VAL A 71 2.043 -4.857 -14.701 1.00 0.69 H new ATOM 0 HB VAL A 71 2.590 -4.105 -12.500 1.00 0.81 H new ATOM 0 HG11 VAL A 71 2.414 -5.526 -10.513 1.00 1.01 H new ATOM 0 HG12 VAL A 71 0.830 -5.153 -11.233 1.00 1.01 H new ATOM 0 HG13 VAL A 71 1.567 -6.753 -11.485 1.00 1.01 H new ATOM 0 HG21 VAL A 71 4.378 -5.651 -11.848 1.00 1.46 H new ATOM 0 HG22 VAL A 71 3.678 -6.888 -12.919 1.00 1.46 H new ATOM 0 HG23 VAL A 71 4.317 -5.375 -13.605 1.00 1.46 H new ATOM 1250 N VAL A 72 0.721 -7.658 -13.598 1.00 0.44 N ATOM 1251 CA VAL A 72 0.570 -9.041 -14.005 1.00 0.46 C ATOM 1252 C VAL A 72 -0.704 -9.206 -14.821 1.00 0.47 C ATOM 1253 O VAL A 72 -0.935 -10.239 -15.457 1.00 0.64 O ATOM 1254 CB VAL A 72 0.579 -10.004 -12.802 1.00 0.52 C ATOM 1255 CG1 VAL A 72 -0.820 -10.314 -12.303 1.00 0.74 C ATOM 1256 CG2 VAL A 72 1.341 -11.260 -13.147 1.00 0.80 C ATOM 0 H VAL A 72 0.185 -7.386 -12.774 1.00 0.44 H new ATOM 0 HA VAL A 72 1.428 -9.301 -14.625 1.00 0.46 H new ATOM 0 HB VAL A 72 1.091 -9.506 -11.979 1.00 0.52 H new ATOM 0 HG11 VAL A 72 -0.761 -10.996 -11.455 1.00 0.74 H new ATOM 0 HG12 VAL A 72 -1.308 -9.390 -11.992 1.00 0.74 H new ATOM 0 HG13 VAL A 72 -1.397 -10.778 -13.103 1.00 0.74 H new ATOM 0 HG21 VAL A 72 1.341 -11.933 -12.289 1.00 0.80 H new ATOM 0 HG22 VAL A 72 0.865 -11.753 -13.995 1.00 0.80 H new ATOM 0 HG23 VAL A 72 2.368 -11.003 -13.406 1.00 0.80 H new ATOM 1266 N GLY A 73 -1.516 -8.159 -14.809 1.00 0.45 N ATOM 1267 CA GLY A 73 -2.759 -8.169 -15.538 1.00 0.48 C ATOM 1268 C GLY A 73 -3.850 -8.894 -14.786 1.00 0.50 C ATOM 1269 O GLY A 73 -3.579 -9.630 -13.833 1.00 0.55 O ATOM 0 H GLY A 73 -1.329 -7.295 -14.300 1.00 0.45 H new ATOM 0 HA2 GLY A 73 -3.073 -7.144 -15.733 1.00 0.48 H new ATOM 0 HA3 GLY A 73 -2.608 -8.646 -16.506 1.00 0.48 H new ATOM 1273 N GLU A 74 -5.085 -8.688 -15.209 1.00 0.54 N ATOM 1274 CA GLU A 74 -6.215 -9.382 -14.618 1.00 0.58 C ATOM 1275 C GLU A 74 -6.086 -10.878 -14.883 1.00 0.53 C ATOM 1276 O GLU A 74 -6.559 -11.698 -14.110 1.00 0.60 O ATOM 1277 CB GLU A 74 -7.521 -8.835 -15.189 1.00 0.69 C ATOM 1278 CG GLU A 74 -8.768 -9.361 -14.503 1.00 1.45 C ATOM 1279 CD GLU A 74 -10.017 -8.654 -14.977 1.00 1.80 C ATOM 1280 OE1 GLU A 74 -10.620 -9.114 -15.968 1.00 2.31 O ATOM 1281 OE2 GLU A 74 -10.411 -7.648 -14.351 1.00 2.10 O ATOM 0 H GLU A 74 -5.331 -8.044 -15.961 1.00 0.54 H new ATOM 0 HA GLU A 74 -6.223 -9.219 -13.540 1.00 0.58 H new ATOM 0 HB2 GLU A 74 -7.510 -7.748 -15.114 1.00 0.69 H new ATOM 0 HB3 GLU A 74 -7.572 -9.081 -16.250 1.00 0.69 H new ATOM 0 HG2 GLU A 74 -8.863 -10.430 -14.693 1.00 1.45 H new ATOM 0 HG3 GLU A 74 -8.668 -9.237 -13.425 1.00 1.45 H new ATOM 1288 N GLU A 75 -5.408 -11.201 -15.981 1.00 0.54 N ATOM 1289 CA GLU A 75 -5.079 -12.575 -16.350 1.00 0.55 C ATOM 1290 C GLU A 75 -4.507 -13.373 -15.183 1.00 0.53 C ATOM 1291 O GLU A 75 -5.128 -14.326 -14.711 1.00 0.56 O ATOM 1292 CB GLU A 75 -4.068 -12.555 -17.501 1.00 0.58 C ATOM 1293 CG GLU A 75 -3.462 -13.913 -17.818 1.00 0.95 C ATOM 1294 CD GLU A 75 -2.504 -13.859 -18.987 1.00 1.29 C ATOM 1295 OE1 GLU A 75 -1.414 -13.266 -18.843 1.00 2.00 O ATOM 1296 OE2 GLU A 75 -2.836 -14.407 -20.064 1.00 1.31 O ATOM 0 H GLU A 75 -5.068 -10.508 -16.647 1.00 0.54 H new ATOM 0 HA GLU A 75 -6.003 -13.067 -16.654 1.00 0.55 H new ATOM 0 HB2 GLU A 75 -4.559 -12.170 -18.395 1.00 0.58 H new ATOM 0 HB3 GLU A 75 -3.266 -11.860 -17.254 1.00 0.58 H new ATOM 0 HG2 GLU A 75 -2.937 -14.288 -16.939 1.00 0.95 H new ATOM 0 HG3 GLU A 75 -4.260 -14.621 -18.039 1.00 0.95 H new ATOM 1303 N LYS A 76 -3.333 -12.980 -14.709 1.00 0.50 N ATOM 1304 CA LYS A 76 -2.623 -13.774 -13.730 1.00 0.51 C ATOM 1305 C LYS A 76 -3.200 -13.567 -12.343 1.00 0.55 C ATOM 1306 O LYS A 76 -3.210 -14.486 -11.526 1.00 0.57 O ATOM 1307 CB LYS A 76 -1.136 -13.433 -13.758 1.00 0.47 C ATOM 1308 CG LYS A 76 -0.500 -13.595 -15.134 1.00 1.16 C ATOM 1309 CD LYS A 76 -0.692 -14.999 -15.692 1.00 1.43 C ATOM 1310 CE LYS A 76 0.035 -16.050 -14.870 1.00 0.71 C ATOM 1311 NZ LYS A 76 -0.125 -17.410 -15.450 1.00 1.13 N ATOM 0 H LYS A 76 -2.859 -12.121 -14.987 1.00 0.50 H new ATOM 0 HA LYS A 76 -2.743 -14.827 -13.984 1.00 0.51 H new ATOM 0 HB2 LYS A 76 -1.001 -12.405 -13.423 1.00 0.47 H new ATOM 0 HB3 LYS A 76 -0.612 -14.071 -13.047 1.00 0.47 H new ATOM 0 HG2 LYS A 76 -0.935 -12.870 -15.822 1.00 1.16 H new ATOM 0 HG3 LYS A 76 0.565 -13.374 -15.069 1.00 1.16 H new ATOM 0 HD2 LYS A 76 -1.756 -15.234 -15.720 1.00 1.43 H new ATOM 0 HD3 LYS A 76 -0.332 -15.032 -16.720 1.00 1.43 H new ATOM 0 HE2 LYS A 76 1.095 -15.800 -14.815 1.00 0.71 H new ATOM 0 HE3 LYS A 76 -0.348 -16.042 -13.849 1.00 0.71 H new ATOM 0 HZ1 LYS A 76 0.665 -18.013 -15.144 1.00 1.13 H new ATOM 0 HZ2 LYS A 76 -1.022 -17.823 -15.124 1.00 1.13 H new ATOM 0 HZ3 LYS A 76 -0.131 -17.346 -16.488 1.00 1.13 H new ATOM 1325 N ALA A 77 -3.698 -12.365 -12.084 1.00 0.57 N ATOM 1326 CA ALA A 77 -4.343 -12.067 -10.815 1.00 0.64 C ATOM 1327 C ALA A 77 -5.590 -12.925 -10.646 1.00 0.65 C ATOM 1328 O ALA A 77 -5.924 -13.348 -9.541 1.00 0.70 O ATOM 1329 CB ALA A 77 -4.699 -10.589 -10.735 1.00 0.68 C ATOM 0 H ALA A 77 -3.667 -11.582 -12.737 1.00 0.57 H new ATOM 0 HA ALA A 77 -3.649 -12.298 -10.007 1.00 0.64 H new ATOM 0 HB1 ALA A 77 -5.181 -10.382 -9.779 1.00 0.68 H new ATOM 0 HB2 ALA A 77 -3.792 -9.991 -10.821 1.00 0.68 H new ATOM 0 HB3 ALA A 77 -5.380 -10.334 -11.547 1.00 0.68 H new ATOM 1335 N ALA A 78 -6.264 -13.194 -11.762 1.00 0.63 N ATOM 1336 CA ALA A 78 -7.436 -14.052 -11.769 1.00 0.67 C ATOM 1337 C ALA A 78 -7.067 -15.460 -11.326 1.00 0.67 C ATOM 1338 O ALA A 78 -7.816 -16.112 -10.594 1.00 0.73 O ATOM 1339 CB ALA A 78 -8.048 -14.081 -13.164 1.00 0.66 C ATOM 0 H ALA A 78 -6.012 -12.824 -12.678 1.00 0.63 H new ATOM 0 HA ALA A 78 -8.169 -13.652 -11.068 1.00 0.67 H new ATOM 0 HB1 ALA A 78 -8.927 -14.726 -13.163 1.00 0.66 H new ATOM 0 HB2 ALA A 78 -8.340 -13.072 -13.454 1.00 0.66 H new ATOM 0 HB3 ALA A 78 -7.316 -14.466 -13.874 1.00 0.66 H new ATOM 1345 N GLU A 79 -5.892 -15.909 -11.749 1.00 0.62 N ATOM 1346 CA GLU A 79 -5.439 -17.256 -11.455 1.00 0.65 C ATOM 1347 C GLU A 79 -4.891 -17.351 -10.039 1.00 0.66 C ATOM 1348 O GLU A 79 -4.988 -18.391 -9.402 1.00 0.67 O ATOM 1349 CB GLU A 79 -4.367 -17.690 -12.453 1.00 0.65 C ATOM 1350 CG GLU A 79 -4.735 -17.406 -13.897 1.00 0.85 C ATOM 1351 CD GLU A 79 -3.844 -18.136 -14.878 1.00 0.87 C ATOM 1352 OE1 GLU A 79 -2.746 -17.631 -15.184 1.00 1.33 O ATOM 1353 OE2 GLU A 79 -4.241 -19.222 -15.347 1.00 1.26 O ATOM 0 H GLU A 79 -5.236 -15.355 -12.299 1.00 0.62 H new ATOM 0 HA GLU A 79 -6.298 -17.922 -11.541 1.00 0.65 H new ATOM 0 HB2 GLU A 79 -3.434 -17.179 -12.217 1.00 0.65 H new ATOM 0 HB3 GLU A 79 -4.184 -18.758 -12.336 1.00 0.65 H new ATOM 0 HG2 GLU A 79 -5.772 -17.696 -14.068 1.00 0.85 H new ATOM 0 HG3 GLU A 79 -4.670 -16.334 -14.081 1.00 0.85 H new ATOM 1360 N LEU A 80 -4.363 -16.243 -9.534 1.00 0.66 N ATOM 1361 CA LEU A 80 -3.902 -16.169 -8.159 1.00 0.70 C ATOM 1362 C LEU A 80 -5.078 -16.050 -7.203 1.00 0.74 C ATOM 1363 O LEU A 80 -5.024 -16.523 -6.066 1.00 0.80 O ATOM 1364 CB LEU A 80 -2.958 -14.983 -8.009 1.00 0.71 C ATOM 1365 CG LEU A 80 -1.727 -15.056 -8.910 1.00 0.66 C ATOM 1366 CD1 LEU A 80 -1.016 -13.720 -8.959 1.00 0.97 C ATOM 1367 CD2 LEU A 80 -0.791 -16.148 -8.427 1.00 0.98 C ATOM 0 H LEU A 80 -4.244 -15.379 -10.063 1.00 0.66 H new ATOM 0 HA LEU A 80 -3.366 -17.085 -7.909 1.00 0.70 H new ATOM 0 HB2 LEU A 80 -3.504 -14.066 -8.230 1.00 0.71 H new ATOM 0 HB3 LEU A 80 -2.633 -14.918 -6.971 1.00 0.71 H new ATOM 0 HG LEU A 80 -2.051 -15.299 -9.922 1.00 0.66 H new ATOM 0 HD11 LEU A 80 -0.143 -13.796 -9.607 1.00 0.97 H new ATOM 0 HD12 LEU A 80 -1.693 -12.961 -9.351 1.00 0.97 H new ATOM 0 HD13 LEU A 80 -0.699 -13.439 -7.954 1.00 0.97 H new ATOM 0 HD21 LEU A 80 0.083 -16.191 -9.076 1.00 0.98 H new ATOM 0 HD22 LEU A 80 -0.475 -15.931 -7.407 1.00 0.98 H new ATOM 0 HD23 LEU A 80 -1.308 -17.107 -8.450 1.00 0.98 H new ATOM 1379 N LYS A 81 -6.141 -15.411 -7.674 1.00 0.74 N ATOM 1380 CA LYS A 81 -7.367 -15.299 -6.905 1.00 0.79 C ATOM 1381 C LYS A 81 -7.949 -16.693 -6.685 1.00 0.77 C ATOM 1382 O LYS A 81 -8.200 -17.100 -5.550 1.00 0.79 O ATOM 1383 CB LYS A 81 -8.370 -14.404 -7.645 1.00 0.83 C ATOM 1384 CG LYS A 81 -9.398 -13.712 -6.753 1.00 1.18 C ATOM 1385 CD LYS A 81 -10.309 -14.699 -6.038 1.00 1.34 C ATOM 1386 CE LYS A 81 -11.430 -13.985 -5.295 1.00 1.68 C ATOM 1387 NZ LYS A 81 -12.372 -13.307 -6.226 1.00 2.12 N ATOM 0 H LYS A 81 -6.176 -14.962 -8.589 1.00 0.74 H new ATOM 0 HA LYS A 81 -7.155 -14.845 -5.937 1.00 0.79 H new ATOM 0 HB2 LYS A 81 -7.817 -13.642 -8.195 1.00 0.83 H new ATOM 0 HB3 LYS A 81 -8.899 -15.009 -8.382 1.00 0.83 H new ATOM 0 HG2 LYS A 81 -8.880 -13.100 -6.014 1.00 1.18 H new ATOM 0 HG3 LYS A 81 -10.003 -13.037 -7.358 1.00 1.18 H new ATOM 0 HD2 LYS A 81 -10.735 -15.393 -6.762 1.00 1.34 H new ATOM 0 HD3 LYS A 81 -9.724 -15.292 -5.334 1.00 1.34 H new ATOM 0 HE2 LYS A 81 -11.977 -14.705 -4.686 1.00 1.68 H new ATOM 0 HE3 LYS A 81 -11.002 -13.250 -4.613 1.00 1.68 H new ATOM 0 HZ1 LYS A 81 -13.249 -13.070 -5.720 1.00 2.12 H new ATOM 0 HZ2 LYS A 81 -11.935 -12.436 -6.588 1.00 2.12 H new ATOM 0 HZ3 LYS A 81 -12.591 -13.941 -7.021 1.00 2.12 H new ATOM 1401 N ASN A 82 -8.132 -17.431 -7.778 1.00 0.75 N ATOM 1402 CA ASN A 82 -8.685 -18.778 -7.695 1.00 0.75 C ATOM 1403 C ASN A 82 -7.717 -19.691 -6.960 1.00 0.74 C ATOM 1404 O ASN A 82 -8.149 -20.498 -6.143 1.00 0.80 O ATOM 1405 CB ASN A 82 -8.992 -19.337 -9.085 1.00 0.73 C ATOM 1406 CG ASN A 82 -9.640 -20.708 -9.029 1.00 0.87 C ATOM 1407 OD1 ASN A 82 -8.959 -21.734 -9.079 1.00 1.42 O ATOM 1408 ND2 ASN A 82 -10.958 -20.736 -8.918 1.00 1.54 N ATOM 0 H ASN A 82 -7.907 -17.121 -8.723 1.00 0.75 H new ATOM 0 HA ASN A 82 -9.622 -18.729 -7.141 1.00 0.75 H new ATOM 0 HB2 ASN A 82 -9.652 -18.648 -9.613 1.00 0.73 H new ATOM 0 HB3 ASN A 82 -8.068 -19.398 -9.661 1.00 0.73 H new ATOM 0 HD21 ASN A 82 -11.447 -21.630 -8.871 1.00 1.54 H new ATOM 0 HD22 ASN A 82 -11.485 -19.864 -8.880 1.00 1.54 H new ATOM 1415 N LEU A 83 -6.424 -19.573 -7.238 1.00 0.72 N ATOM 1416 CA LEU A 83 -5.443 -20.383 -6.551 1.00 0.72 C ATOM 1417 C LEU A 83 -5.616 -20.269 -5.039 1.00 0.74 C ATOM 1418 O LEU A 83 -5.642 -21.277 -4.337 1.00 0.77 O ATOM 1419 CB LEU A 83 -4.042 -19.955 -6.961 1.00 0.75 C ATOM 1420 CG LEU A 83 -3.473 -20.660 -8.198 1.00 0.73 C ATOM 1421 CD1 LEU A 83 -2.153 -20.026 -8.608 1.00 1.05 C ATOM 1422 CD2 LEU A 83 -3.287 -22.147 -7.934 1.00 1.37 C ATOM 0 H LEU A 83 -6.039 -18.929 -7.929 1.00 0.72 H new ATOM 0 HA LEU A 83 -5.590 -21.426 -6.831 1.00 0.72 H new ATOM 0 HB2 LEU A 83 -4.049 -18.881 -7.147 1.00 0.75 H new ATOM 0 HB3 LEU A 83 -3.368 -20.129 -6.123 1.00 0.75 H new ATOM 0 HG LEU A 83 -4.185 -20.544 -9.015 1.00 0.73 H new ATOM 0 HD11 LEU A 83 -1.761 -20.537 -9.487 1.00 1.05 H new ATOM 0 HD12 LEU A 83 -2.312 -18.973 -8.841 1.00 1.05 H new ATOM 0 HD13 LEU A 83 -1.438 -20.113 -7.790 1.00 1.05 H new ATOM 0 HD21 LEU A 83 -2.882 -22.627 -8.825 1.00 1.37 H new ATOM 0 HD22 LEU A 83 -2.596 -22.285 -7.102 1.00 1.37 H new ATOM 0 HD23 LEU A 83 -4.249 -22.596 -7.685 1.00 1.37 H new ATOM 1434 N LYS A 84 -5.794 -19.045 -4.554 1.00 0.76 N ATOM 1435 CA LYS A 84 -5.940 -18.807 -3.124 1.00 0.81 C ATOM 1436 C LYS A 84 -7.174 -19.530 -2.580 1.00 0.83 C ATOM 1437 O LYS A 84 -7.071 -20.335 -1.652 1.00 0.87 O ATOM 1438 CB LYS A 84 -6.043 -17.309 -2.830 1.00 0.88 C ATOM 1439 CG LYS A 84 -5.972 -16.984 -1.345 1.00 0.96 C ATOM 1440 CD LYS A 84 -5.989 -15.487 -1.080 1.00 1.19 C ATOM 1441 CE LYS A 84 -7.301 -14.856 -1.510 1.00 1.54 C ATOM 1442 NZ LYS A 84 -7.343 -13.407 -1.189 1.00 2.27 N ATOM 0 H LYS A 84 -5.841 -18.204 -5.129 1.00 0.76 H new ATOM 0 HA LYS A 84 -5.053 -19.200 -2.627 1.00 0.81 H new ATOM 0 HB2 LYS A 84 -5.239 -16.787 -3.349 1.00 0.88 H new ATOM 0 HB3 LYS A 84 -6.982 -16.930 -3.234 1.00 0.88 H new ATOM 0 HG2 LYS A 84 -6.813 -17.451 -0.833 1.00 0.96 H new ATOM 0 HG3 LYS A 84 -5.064 -17.415 -0.924 1.00 0.96 H new ATOM 0 HD2 LYS A 84 -5.828 -15.304 -0.018 1.00 1.19 H new ATOM 0 HD3 LYS A 84 -5.165 -15.013 -1.614 1.00 1.19 H new ATOM 0 HE2 LYS A 84 -7.438 -14.996 -2.582 1.00 1.54 H new ATOM 0 HE3 LYS A 84 -8.129 -15.363 -1.014 1.00 1.54 H new ATOM 0 HZ1 LYS A 84 -8.253 -13.009 -1.497 1.00 2.27 H new ATOM 0 HZ2 LYS A 84 -7.237 -13.276 -0.163 1.00 2.27 H new ATOM 0 HZ3 LYS A 84 -6.568 -12.920 -1.682 1.00 2.27 H new ATOM 1456 N ASP A 85 -8.330 -19.253 -3.175 1.00 0.84 N ATOM 1457 CA ASP A 85 -9.599 -19.848 -2.740 1.00 0.91 C ATOM 1458 C ASP A 85 -9.633 -21.358 -2.966 1.00 0.90 C ATOM 1459 O ASP A 85 -10.374 -22.072 -2.287 1.00 0.94 O ATOM 1460 CB ASP A 85 -10.774 -19.190 -3.470 1.00 0.98 C ATOM 1461 CG ASP A 85 -11.083 -17.804 -2.939 1.00 1.59 C ATOM 1462 OD1 ASP A 85 -10.194 -16.930 -2.983 1.00 2.52 O ATOM 1463 OD2 ASP A 85 -12.217 -17.584 -2.460 1.00 1.48 O ATOM 0 H ASP A 85 -8.419 -18.616 -3.966 1.00 0.84 H new ATOM 0 HA ASP A 85 -9.687 -19.669 -1.668 1.00 0.91 H new ATOM 0 HB2 ASP A 85 -10.547 -19.126 -4.534 1.00 0.98 H new ATOM 0 HB3 ASP A 85 -11.658 -19.820 -3.370 1.00 0.98 H new ATOM 1468 N SER A 86 -8.830 -21.843 -3.900 1.00 0.86 N ATOM 1469 CA SER A 86 -8.754 -23.275 -4.162 1.00 0.90 C ATOM 1470 C SER A 86 -7.804 -23.957 -3.178 1.00 0.84 C ATOM 1471 O SER A 86 -7.697 -25.184 -3.150 1.00 0.96 O ATOM 1472 CB SER A 86 -8.303 -23.529 -5.604 1.00 0.97 C ATOM 1473 OG SER A 86 -8.413 -24.902 -5.945 1.00 1.52 O ATOM 0 H SER A 86 -8.224 -21.271 -4.488 1.00 0.86 H new ATOM 0 HA SER A 86 -9.748 -23.701 -4.027 1.00 0.90 H new ATOM 0 HB2 SER A 86 -8.908 -22.933 -6.287 1.00 0.97 H new ATOM 0 HB3 SER A 86 -7.270 -23.203 -5.727 1.00 0.97 H new ATOM 0 HG SER A 86 -8.155 -25.452 -5.176 1.00 1.52 H new ATOM 1479 N GLY A 87 -7.121 -23.155 -2.373 1.00 0.80 N ATOM 1480 CA GLY A 87 -6.332 -23.699 -1.286 1.00 0.88 C ATOM 1481 C GLY A 87 -4.846 -23.684 -1.565 1.00 0.82 C ATOM 1482 O GLY A 87 -4.091 -24.413 -0.925 1.00 0.92 O ATOM 0 H GLY A 87 -7.099 -22.138 -2.453 1.00 0.80 H new ATOM 0 HA2 GLY A 87 -6.531 -23.128 -0.379 1.00 0.88 H new ATOM 0 HA3 GLY A 87 -6.649 -24.724 -1.093 1.00 0.88 H new ATOM 1486 N ALA A 88 -4.415 -22.878 -2.528 1.00 0.76 N ATOM 1487 CA ALA A 88 -2.991 -22.628 -2.684 1.00 0.76 C ATOM 1488 C ALA A 88 -2.501 -21.971 -1.407 1.00 0.80 C ATOM 1489 O ALA A 88 -3.021 -20.939 -0.974 1.00 0.83 O ATOM 1490 CB ALA A 88 -2.713 -21.731 -3.878 1.00 0.76 C ATOM 0 H ALA A 88 -5.016 -22.397 -3.197 1.00 0.76 H new ATOM 0 HA ALA A 88 -2.469 -23.568 -2.864 1.00 0.76 H new ATOM 0 HB1 ALA A 88 -1.639 -21.564 -3.966 1.00 0.76 H new ATOM 0 HB2 ALA A 88 -3.081 -22.209 -4.786 1.00 0.76 H new ATOM 0 HB3 ALA A 88 -3.219 -20.775 -3.741 1.00 0.76 H new ATOM 1496 N SER A 89 -1.507 -22.605 -0.811 1.00 0.81 N ATOM 1497 CA SER A 89 -0.910 -22.156 0.426 1.00 0.86 C ATOM 1498 C SER A 89 -0.258 -20.786 0.256 1.00 0.78 C ATOM 1499 O SER A 89 -0.130 -20.290 -0.868 1.00 0.77 O ATOM 1500 CB SER A 89 0.125 -23.184 0.866 1.00 0.93 C ATOM 1501 OG SER A 89 -0.350 -24.503 0.646 1.00 1.60 O ATOM 0 H SER A 89 -1.088 -23.458 -1.181 1.00 0.81 H new ATOM 0 HA SER A 89 -1.686 -22.057 1.185 1.00 0.86 H new ATOM 0 HB2 SER A 89 1.053 -23.030 0.316 1.00 0.93 H new ATOM 0 HB3 SER A 89 0.354 -23.047 1.923 1.00 0.93 H new ATOM 0 HG SER A 89 0.330 -25.148 0.933 1.00 1.60 H new ATOM 1507 N LYS A 90 0.166 -20.181 1.352 1.00 0.76 N ATOM 1508 CA LYS A 90 0.789 -18.868 1.296 1.00 0.74 C ATOM 1509 C LYS A 90 2.068 -18.931 0.458 1.00 0.69 C ATOM 1510 O LYS A 90 2.435 -17.967 -0.215 1.00 0.67 O ATOM 1511 CB LYS A 90 1.094 -18.368 2.710 1.00 0.81 C ATOM 1512 CG LYS A 90 1.241 -16.858 2.812 1.00 1.29 C ATOM 1513 CD LYS A 90 -0.068 -16.152 2.505 1.00 1.77 C ATOM 1514 CE LYS A 90 0.053 -14.647 2.683 1.00 2.22 C ATOM 1515 NZ LYS A 90 -1.229 -13.955 2.399 1.00 2.96 N ATOM 0 H LYS A 90 0.091 -20.576 2.290 1.00 0.76 H new ATOM 0 HA LYS A 90 0.100 -18.167 0.825 1.00 0.74 H new ATOM 0 HB2 LYS A 90 0.296 -18.691 3.379 1.00 0.81 H new ATOM 0 HB3 LYS A 90 2.014 -18.837 3.060 1.00 0.81 H new ATOM 0 HG2 LYS A 90 1.574 -16.590 3.815 1.00 1.29 H new ATOM 0 HG3 LYS A 90 2.011 -16.518 2.119 1.00 1.29 H new ATOM 0 HD2 LYS A 90 -0.371 -16.375 1.482 1.00 1.77 H new ATOM 0 HD3 LYS A 90 -0.851 -16.535 3.160 1.00 1.77 H new ATOM 0 HE2 LYS A 90 0.368 -14.425 3.703 1.00 2.22 H new ATOM 0 HE3 LYS A 90 0.828 -14.263 2.020 1.00 2.22 H new ATOM 0 HZ1 LYS A 90 -1.107 -12.931 2.531 1.00 2.96 H new ATOM 0 HZ2 LYS A 90 -1.517 -14.146 1.418 1.00 2.96 H new ATOM 0 HZ3 LYS A 90 -1.963 -14.303 3.049 1.00 2.96 H new ATOM 1529 N GLU A 91 2.727 -20.085 0.490 1.00 0.71 N ATOM 1530 CA GLU A 91 3.932 -20.311 -0.301 1.00 0.70 C ATOM 1531 C GLU A 91 3.626 -20.361 -1.797 1.00 0.67 C ATOM 1532 O GLU A 91 4.347 -19.797 -2.604 1.00 0.67 O ATOM 1533 CB GLU A 91 4.613 -21.605 0.123 1.00 0.73 C ATOM 1534 CG GLU A 91 5.368 -21.478 1.427 1.00 1.30 C ATOM 1535 CD GLU A 91 6.370 -20.347 1.400 1.00 1.74 C ATOM 1536 OE1 GLU A 91 7.391 -20.472 0.691 1.00 2.34 O ATOM 1537 OE2 GLU A 91 6.138 -19.327 2.083 1.00 2.10 O ATOM 0 H GLU A 91 2.445 -20.883 1.059 1.00 0.71 H new ATOM 0 HA GLU A 91 4.601 -19.470 -0.118 1.00 0.70 H new ATOM 0 HB2 GLU A 91 3.862 -22.389 0.220 1.00 0.73 H new ATOM 0 HB3 GLU A 91 5.303 -21.919 -0.660 1.00 0.73 H new ATOM 0 HG2 GLU A 91 4.660 -21.315 2.240 1.00 1.30 H new ATOM 0 HG3 GLU A 91 5.885 -22.414 1.638 1.00 1.30 H new ATOM 1544 N GLU A 92 2.554 -21.061 -2.145 1.00 0.66 N ATOM 1545 CA GLU A 92 2.067 -21.154 -3.504 1.00 0.65 C ATOM 1546 C GLU A 92 1.787 -19.782 -4.070 1.00 0.60 C ATOM 1547 O GLU A 92 2.103 -19.511 -5.213 1.00 0.57 O ATOM 1548 CB GLU A 92 0.790 -21.960 -3.517 1.00 0.69 C ATOM 1549 CG GLU A 92 0.948 -23.342 -2.941 1.00 0.74 C ATOM 1550 CD GLU A 92 1.788 -24.240 -3.821 1.00 1.06 C ATOM 1551 OE1 GLU A 92 1.242 -24.808 -4.792 1.00 1.10 O ATOM 1552 OE2 GLU A 92 2.994 -24.389 -3.545 1.00 1.45 O ATOM 0 H GLU A 92 1.993 -21.587 -1.475 1.00 0.66 H new ATOM 0 HA GLU A 92 2.830 -21.636 -4.115 1.00 0.65 H new ATOM 0 HB2 GLU A 92 0.026 -21.425 -2.953 1.00 0.69 H new ATOM 0 HB3 GLU A 92 0.431 -22.041 -4.543 1.00 0.69 H new ATOM 0 HG2 GLU A 92 1.407 -23.271 -1.955 1.00 0.74 H new ATOM 0 HG3 GLU A 92 -0.036 -23.790 -2.803 1.00 0.74 H new ATOM 1559 N LEU A 93 1.238 -18.904 -3.250 1.00 0.61 N ATOM 1560 CA LEU A 93 1.046 -17.520 -3.682 1.00 0.60 C ATOM 1561 C LEU A 93 2.404 -16.859 -3.741 1.00 0.61 C ATOM 1562 O LEU A 93 2.644 -16.072 -4.649 1.00 0.64 O ATOM 1563 CB LEU A 93 0.066 -16.769 -2.783 1.00 0.64 C ATOM 1564 CG LEU A 93 -1.387 -17.267 -2.859 1.00 0.69 C ATOM 1565 CD1 LEU A 93 -2.341 -16.094 -2.855 1.00 1.08 C ATOM 1566 CD2 LEU A 93 -1.633 -18.119 -4.099 1.00 1.07 C ATOM 0 H LEU A 93 0.922 -19.111 -2.303 1.00 0.61 H new ATOM 0 HA LEU A 93 0.591 -17.500 -4.672 1.00 0.60 H new ATOM 0 HB2 LEU A 93 0.409 -16.846 -1.751 1.00 0.64 H new ATOM 0 HB3 LEU A 93 0.088 -15.712 -3.048 1.00 0.64 H new ATOM 0 HG LEU A 93 -1.563 -17.890 -1.982 1.00 0.69 H new ATOM 0 HD11 LEU A 93 -3.367 -16.459 -2.909 1.00 1.08 H new ATOM 0 HD12 LEU A 93 -2.208 -15.520 -1.938 1.00 1.08 H new ATOM 0 HD13 LEU A 93 -2.137 -15.456 -3.715 1.00 1.08 H new ATOM 0 HD21 LEU A 93 -2.672 -18.450 -4.113 1.00 1.07 H new ATOM 0 HD22 LEU A 93 -1.428 -17.529 -4.992 1.00 1.07 H new ATOM 0 HD23 LEU A 93 -0.976 -18.988 -4.079 1.00 1.07 H new ATOM 1578 N LYS A 94 3.306 -17.173 -2.840 1.00 0.61 N ATOM 1579 CA LYS A 94 4.564 -16.452 -2.757 1.00 0.61 C ATOM 1580 C LYS A 94 5.471 -16.840 -3.900 1.00 0.66 C ATOM 1581 O LYS A 94 6.271 -16.040 -4.386 1.00 0.72 O ATOM 1582 CB LYS A 94 5.253 -16.740 -1.427 1.00 0.64 C ATOM 1583 CG LYS A 94 6.536 -15.953 -1.224 1.00 0.69 C ATOM 1584 CD LYS A 94 7.138 -16.208 0.149 1.00 1.16 C ATOM 1585 CE LYS A 94 8.523 -15.597 0.272 1.00 1.38 C ATOM 1586 NZ LYS A 94 9.512 -16.290 -0.596 1.00 2.06 N ATOM 0 H LYS A 94 3.197 -17.920 -2.154 1.00 0.61 H new ATOM 0 HA LYS A 94 4.353 -15.385 -2.822 1.00 0.61 H new ATOM 0 HB2 LYS A 94 4.564 -16.512 -0.614 1.00 0.64 H new ATOM 0 HB3 LYS A 94 5.476 -17.805 -1.366 1.00 0.64 H new ATOM 0 HG2 LYS A 94 7.257 -16.226 -1.994 1.00 0.69 H new ATOM 0 HG3 LYS A 94 6.333 -14.888 -1.341 1.00 0.69 H new ATOM 0 HD2 LYS A 94 6.486 -15.791 0.916 1.00 1.16 H new ATOM 0 HD3 LYS A 94 7.196 -17.282 0.328 1.00 1.16 H new ATOM 0 HE2 LYS A 94 8.480 -14.542 0.003 1.00 1.38 H new ATOM 0 HE3 LYS A 94 8.852 -15.648 1.310 1.00 1.38 H new ATOM 0 HZ1 LYS A 94 10.475 -16.038 -0.295 1.00 2.06 H new ATOM 0 HZ2 LYS A 94 9.382 -17.319 -0.517 1.00 2.06 H new ATOM 0 HZ3 LYS A 94 9.371 -15.998 -1.584 1.00 2.06 H new ATOM 1600 N ALA A 95 5.353 -18.078 -4.316 1.00 0.67 N ATOM 1601 CA ALA A 95 6.181 -18.578 -5.380 1.00 0.73 C ATOM 1602 C ALA A 95 5.526 -18.388 -6.742 1.00 0.73 C ATOM 1603 O ALA A 95 6.141 -17.835 -7.655 1.00 0.93 O ATOM 1604 CB ALA A 95 6.542 -20.036 -5.142 1.00 0.77 C ATOM 0 H ALA A 95 4.692 -18.754 -3.933 1.00 0.67 H new ATOM 0 HA ALA A 95 7.102 -17.995 -5.383 1.00 0.73 H new ATOM 0 HB1 ALA A 95 7.169 -20.394 -5.959 1.00 0.77 H new ATOM 0 HB2 ALA A 95 7.085 -20.128 -4.201 1.00 0.77 H new ATOM 0 HB3 ALA A 95 5.631 -20.633 -5.095 1.00 0.77 H new ATOM 1610 N LYS A 96 4.290 -18.887 -6.880 1.00 0.70 N ATOM 1611 CA LYS A 96 3.528 -18.712 -8.129 1.00 0.76 C ATOM 1612 C LYS A 96 3.581 -17.251 -8.607 1.00 0.58 C ATOM 1613 O LYS A 96 3.809 -16.966 -9.783 1.00 0.55 O ATOM 1614 CB LYS A 96 2.065 -19.118 -7.946 1.00 1.02 C ATOM 1615 CG LYS A 96 1.441 -19.799 -9.153 1.00 1.75 C ATOM 1616 CD LYS A 96 1.515 -18.937 -10.398 1.00 2.07 C ATOM 1617 CE LYS A 96 0.532 -19.405 -11.456 1.00 2.92 C ATOM 1618 NZ LYS A 96 0.764 -20.824 -11.837 1.00 3.11 N ATOM 0 H LYS A 96 3.799 -19.409 -6.154 1.00 0.70 H new ATOM 0 HA LYS A 96 3.990 -19.357 -8.877 1.00 0.76 H new ATOM 0 HB2 LYS A 96 1.992 -19.788 -7.089 1.00 1.02 H new ATOM 0 HB3 LYS A 96 1.482 -18.229 -7.706 1.00 1.02 H new ATOM 0 HG2 LYS A 96 1.950 -20.745 -9.337 1.00 1.75 H new ATOM 0 HG3 LYS A 96 0.399 -20.034 -8.937 1.00 1.75 H new ATOM 0 HD2 LYS A 96 1.304 -17.900 -10.137 1.00 2.07 H new ATOM 0 HD3 LYS A 96 2.527 -18.965 -10.802 1.00 2.07 H new ATOM 0 HE2 LYS A 96 -0.486 -19.291 -11.083 1.00 2.92 H new ATOM 0 HE3 LYS A 96 0.620 -18.772 -12.339 1.00 2.92 H new ATOM 0 HZ1 LYS A 96 0.154 -21.071 -12.642 1.00 3.11 H new ATOM 0 HZ2 LYS A 96 1.761 -20.953 -12.105 1.00 3.11 H new ATOM 0 HZ3 LYS A 96 0.540 -21.441 -11.031 1.00 3.11 H new ATOM 1632 N VAL A 97 3.347 -16.338 -7.649 1.00 0.62 N ATOM 1633 CA VAL A 97 3.415 -14.899 -7.893 1.00 0.57 C ATOM 1634 C VAL A 97 4.700 -14.497 -8.615 1.00 0.54 C ATOM 1635 O VAL A 97 4.672 -13.675 -9.523 1.00 0.59 O ATOM 1636 CB VAL A 97 3.262 -14.102 -6.587 1.00 0.60 C ATOM 1637 CG1 VAL A 97 4.595 -13.838 -5.973 1.00 0.97 C ATOM 1638 CG2 VAL A 97 2.522 -12.804 -6.828 1.00 0.93 C ATOM 0 H VAL A 97 3.107 -16.582 -6.688 1.00 0.62 H new ATOM 0 HA VAL A 97 2.578 -14.654 -8.547 1.00 0.57 H new ATOM 0 HB VAL A 97 2.675 -14.703 -5.892 1.00 0.60 H new ATOM 0 HG11 VAL A 97 4.465 -13.273 -5.050 1.00 0.97 H new ATOM 0 HG12 VAL A 97 5.088 -14.785 -5.752 1.00 0.97 H new ATOM 0 HG13 VAL A 97 5.208 -13.263 -6.667 1.00 0.97 H new ATOM 0 HG21 VAL A 97 2.427 -12.259 -5.889 1.00 0.93 H new ATOM 0 HG22 VAL A 97 3.075 -12.197 -7.545 1.00 0.93 H new ATOM 0 HG23 VAL A 97 1.530 -13.019 -7.224 1.00 0.93 H new ATOM 1648 N GLU A 98 5.810 -15.108 -8.239 1.00 0.53 N ATOM 1649 CA GLU A 98 7.102 -14.758 -8.809 1.00 0.57 C ATOM 1650 C GLU A 98 7.204 -15.210 -10.255 1.00 0.52 C ATOM 1651 O GLU A 98 7.839 -14.550 -11.070 1.00 0.53 O ATOM 1652 CB GLU A 98 8.223 -15.358 -7.974 1.00 0.68 C ATOM 1653 CG GLU A 98 8.354 -14.704 -6.607 1.00 0.81 C ATOM 1654 CD GLU A 98 9.062 -13.367 -6.668 1.00 1.31 C ATOM 1655 OE1 GLU A 98 8.613 -12.491 -7.439 1.00 2.03 O ATOM 1656 OE2 GLU A 98 10.055 -13.171 -5.940 1.00 1.65 O ATOM 0 H GLU A 98 5.844 -15.850 -7.540 1.00 0.53 H new ATOM 0 HA GLU A 98 7.200 -13.672 -8.796 1.00 0.57 H new ATOM 0 HB2 GLU A 98 8.043 -16.425 -7.845 1.00 0.68 H new ATOM 0 HB3 GLU A 98 9.165 -15.256 -8.512 1.00 0.68 H new ATOM 0 HG2 GLU A 98 7.362 -14.567 -6.177 1.00 0.81 H new ATOM 0 HG3 GLU A 98 8.901 -15.371 -5.940 1.00 0.81 H new ATOM 1663 N GLU A 99 6.564 -16.325 -10.575 1.00 0.49 N ATOM 1664 CA GLU A 99 6.528 -16.810 -11.946 1.00 0.49 C ATOM 1665 C GLU A 99 5.789 -15.813 -12.821 1.00 0.48 C ATOM 1666 O GLU A 99 6.229 -15.482 -13.921 1.00 0.51 O ATOM 1667 CB GLU A 99 5.842 -18.176 -12.012 1.00 0.52 C ATOM 1668 CG GLU A 99 6.554 -19.257 -11.215 1.00 0.91 C ATOM 1669 CD GLU A 99 7.943 -19.545 -11.744 1.00 1.68 C ATOM 1670 OE1 GLU A 99 8.056 -20.184 -12.814 1.00 1.82 O ATOM 1671 OE2 GLU A 99 8.927 -19.139 -11.096 1.00 2.48 O ATOM 0 H GLU A 99 6.064 -16.910 -9.905 1.00 0.49 H new ATOM 0 HA GLU A 99 7.550 -16.919 -12.309 1.00 0.49 H new ATOM 0 HB2 GLU A 99 4.821 -18.078 -11.643 1.00 0.52 H new ATOM 0 HB3 GLU A 99 5.776 -18.489 -13.054 1.00 0.52 H new ATOM 0 HG2 GLU A 99 6.622 -18.950 -10.172 1.00 0.91 H new ATOM 0 HG3 GLU A 99 5.962 -20.172 -11.240 1.00 0.91 H new ATOM 1678 N ALA A 100 4.680 -15.310 -12.305 1.00 0.49 N ATOM 1679 CA ALA A 100 3.866 -14.356 -13.031 1.00 0.55 C ATOM 1680 C ALA A 100 4.530 -12.979 -13.069 1.00 0.54 C ATOM 1681 O ALA A 100 4.554 -12.321 -14.110 1.00 0.58 O ATOM 1682 CB ALA A 100 2.485 -14.286 -12.401 1.00 0.63 C ATOM 0 H ALA A 100 4.323 -15.550 -11.380 1.00 0.49 H new ATOM 0 HA ALA A 100 3.765 -14.690 -14.064 1.00 0.55 H new ATOM 0 HB1 ALA A 100 1.872 -13.569 -12.947 1.00 0.63 H new ATOM 0 HB2 ALA A 100 2.016 -15.269 -12.442 1.00 0.63 H new ATOM 0 HB3 ALA A 100 2.575 -13.970 -11.362 1.00 0.63 H new ATOM 1688 N LEU A 101 5.074 -12.553 -11.933 1.00 0.51 N ATOM 1689 CA LEU A 101 5.779 -11.277 -11.825 1.00 0.53 C ATOM 1690 C LEU A 101 7.075 -11.275 -12.626 1.00 0.51 C ATOM 1691 O LEU A 101 7.664 -10.223 -12.865 1.00 0.53 O ATOM 1692 CB LEU A 101 6.074 -10.968 -10.358 1.00 0.53 C ATOM 1693 CG LEU A 101 4.959 -10.258 -9.577 1.00 0.66 C ATOM 1694 CD1 LEU A 101 4.979 -8.765 -9.861 1.00 1.40 C ATOM 1695 CD2 LEU A 101 3.587 -10.827 -9.914 1.00 1.28 C ATOM 0 H LEU A 101 5.039 -13.081 -11.061 1.00 0.51 H new ATOM 0 HA LEU A 101 5.131 -10.505 -12.241 1.00 0.53 H new ATOM 0 HB2 LEU A 101 6.305 -11.905 -9.850 1.00 0.53 H new ATOM 0 HB3 LEU A 101 6.971 -10.351 -10.312 1.00 0.53 H new ATOM 0 HG LEU A 101 5.146 -10.427 -8.517 1.00 0.66 H new ATOM 0 HD11 LEU A 101 4.182 -8.277 -9.299 1.00 1.40 H new ATOM 0 HD12 LEU A 101 5.941 -8.350 -9.560 1.00 1.40 H new ATOM 0 HD13 LEU A 101 4.828 -8.595 -10.927 1.00 1.40 H new ATOM 0 HD21 LEU A 101 2.824 -10.299 -9.342 1.00 1.28 H new ATOM 0 HD22 LEU A 101 3.393 -10.702 -10.979 1.00 1.28 H new ATOM 0 HD23 LEU A 101 3.561 -11.887 -9.662 1.00 1.28 H new ATOM 1707 N HIS A 102 7.538 -12.447 -13.016 1.00 0.51 N ATOM 1708 CA HIS A 102 8.662 -12.532 -13.932 1.00 0.53 C ATOM 1709 C HIS A 102 8.141 -12.538 -15.360 1.00 0.56 C ATOM 1710 O HIS A 102 8.662 -11.829 -16.217 1.00 0.57 O ATOM 1711 CB HIS A 102 9.517 -13.765 -13.642 1.00 0.55 C ATOM 1712 CG HIS A 102 10.337 -13.635 -12.395 1.00 1.07 C ATOM 1713 ND1 HIS A 102 10.961 -14.699 -11.784 1.00 1.95 N ATOM 1714 CD2 HIS A 102 10.624 -12.550 -11.638 1.00 1.39 C ATOM 1715 CE1 HIS A 102 11.594 -14.278 -10.706 1.00 2.48 C ATOM 1716 NE2 HIS A 102 11.407 -12.977 -10.596 1.00 2.14 N ATOM 0 H HIS A 102 7.159 -13.346 -12.717 1.00 0.51 H new ATOM 0 HA HIS A 102 9.306 -11.663 -13.795 1.00 0.53 H new ATOM 0 HB2 HIS A 102 8.868 -14.636 -13.553 1.00 0.55 H new ATOM 0 HB3 HIS A 102 10.180 -13.946 -14.488 1.00 0.55 H new ATOM 0 HD2 HIS A 102 10.297 -11.537 -11.821 1.00 1.39 H new ATOM 0 HE1 HIS A 102 12.168 -14.894 -10.029 1.00 2.48 H new ATOM 0 HE2 HIS A 102 11.784 -12.385 -9.856 1.00 2.14 H new ATOM 1725 N ALA A 103 7.126 -13.357 -15.620 1.00 0.58 N ATOM 1726 CA ALA A 103 6.636 -13.596 -16.977 1.00 0.61 C ATOM 1727 C ALA A 103 6.041 -12.350 -17.648 1.00 0.61 C ATOM 1728 O ALA A 103 5.690 -12.402 -18.828 1.00 0.64 O ATOM 1729 CB ALA A 103 5.614 -14.720 -16.955 1.00 0.63 C ATOM 0 H ALA A 103 6.620 -13.873 -14.900 1.00 0.58 H new ATOM 0 HA ALA A 103 7.500 -13.876 -17.579 1.00 0.61 H new ATOM 0 HB1 ALA A 103 5.248 -14.899 -17.966 1.00 0.63 H new ATOM 0 HB2 ALA A 103 6.080 -15.628 -16.572 1.00 0.63 H new ATOM 0 HB3 ALA A 103 4.780 -14.441 -16.311 1.00 0.63 H new ATOM 1735 N VAL A 104 5.937 -11.239 -16.928 1.00 0.60 N ATOM 1736 CA VAL A 104 5.326 -10.050 -17.460 1.00 0.63 C ATOM 1737 C VAL A 104 6.236 -9.346 -18.476 1.00 0.76 C ATOM 1738 O VAL A 104 5.931 -9.320 -19.665 1.00 1.68 O ATOM 1739 CB VAL A 104 4.906 -9.118 -16.306 1.00 0.57 C ATOM 1740 CG1 VAL A 104 5.887 -9.192 -15.158 1.00 0.60 C ATOM 1741 CG2 VAL A 104 4.751 -7.685 -16.767 1.00 0.51 C ATOM 0 H VAL A 104 6.273 -11.148 -15.969 1.00 0.60 H new ATOM 0 HA VAL A 104 4.429 -10.335 -18.009 1.00 0.63 H new ATOM 0 HB VAL A 104 3.934 -9.466 -15.957 1.00 0.57 H new ATOM 0 HG11 VAL A 104 5.564 -8.524 -14.360 1.00 0.60 H new ATOM 0 HG12 VAL A 104 5.930 -10.214 -14.781 1.00 0.60 H new ATOM 0 HG13 VAL A 104 6.876 -8.892 -15.504 1.00 0.60 H new ATOM 0 HG21 VAL A 104 4.454 -7.062 -15.924 1.00 0.51 H new ATOM 0 HG22 VAL A 104 5.700 -7.327 -17.167 1.00 0.51 H new ATOM 0 HG23 VAL A 104 3.987 -7.633 -17.543 1.00 0.51 H new ATOM 1751 N THR A 105 7.302 -8.724 -17.973 1.00 0.77 N ATOM 1752 CA THR A 105 8.395 -8.178 -18.794 1.00 0.79 C ATOM 1753 C THR A 105 7.993 -6.942 -19.603 1.00 0.75 C ATOM 1754 O THR A 105 8.766 -6.476 -20.441 1.00 0.95 O ATOM 1755 CB THR A 105 9.025 -9.239 -19.744 1.00 0.94 C ATOM 1756 OG1 THR A 105 8.129 -9.591 -20.808 1.00 0.88 O ATOM 1757 CG2 THR A 105 9.404 -10.493 -18.974 1.00 1.03 C ATOM 0 H THR A 105 7.437 -8.581 -16.972 1.00 0.77 H new ATOM 0 HA THR A 105 9.147 -7.871 -18.067 1.00 0.79 H new ATOM 0 HB THR A 105 9.921 -8.792 -20.175 1.00 0.94 H new ATOM 0 HG1 THR A 105 7.249 -9.194 -20.640 1.00 0.88 H new ATOM 0 HG21 THR A 105 9.842 -11.221 -19.657 1.00 1.03 H new ATOM 0 HG22 THR A 105 10.128 -10.240 -18.200 1.00 1.03 H new ATOM 0 HG23 THR A 105 8.514 -10.919 -18.512 1.00 1.03 H new ATOM 1765 N ASP A 106 6.814 -6.387 -19.352 1.00 0.77 N ATOM 1766 CA ASP A 106 6.443 -5.116 -19.957 1.00 0.79 C ATOM 1767 C ASP A 106 6.942 -3.963 -19.098 1.00 0.73 C ATOM 1768 O ASP A 106 6.872 -4.016 -17.871 1.00 0.72 O ATOM 1769 CB ASP A 106 4.926 -4.997 -20.117 1.00 0.79 C ATOM 1770 CG ASP A 106 4.308 -6.111 -20.938 1.00 1.35 C ATOM 1771 OD1 ASP A 106 4.519 -6.132 -22.168 1.00 1.38 O ATOM 1772 OD2 ASP A 106 3.636 -6.991 -20.358 1.00 2.07 O ATOM 0 H ASP A 106 6.106 -6.792 -18.740 1.00 0.77 H new ATOM 0 HA ASP A 106 6.904 -5.073 -20.944 1.00 0.79 H new ATOM 0 HB2 ASP A 106 4.465 -4.988 -19.129 1.00 0.79 H new ATOM 0 HB3 ASP A 106 4.693 -4.041 -20.586 1.00 0.79 H new ATOM 1777 N GLU A 107 7.451 -2.933 -19.760 1.00 0.71 N ATOM 1778 CA GLU A 107 8.256 -1.899 -19.113 1.00 0.69 C ATOM 1779 C GLU A 107 7.542 -1.189 -17.960 1.00 0.66 C ATOM 1780 O GLU A 107 8.028 -1.204 -16.827 1.00 0.63 O ATOM 1781 CB GLU A 107 8.755 -0.881 -20.148 1.00 0.73 C ATOM 1782 CG GLU A 107 7.666 -0.272 -21.017 1.00 1.63 C ATOM 1783 CD GLU A 107 8.221 0.730 -22.007 1.00 2.35 C ATOM 1784 OE1 GLU A 107 8.728 1.787 -21.577 1.00 3.18 O ATOM 1785 OE2 GLU A 107 8.137 0.472 -23.225 1.00 2.65 O ATOM 0 H GLU A 107 7.319 -2.788 -20.761 1.00 0.71 H new ATOM 0 HA GLU A 107 9.106 -2.414 -18.666 1.00 0.69 H new ATOM 0 HB2 GLU A 107 9.276 -0.078 -19.626 1.00 0.73 H new ATOM 0 HB3 GLU A 107 9.486 -1.368 -20.793 1.00 0.73 H new ATOM 0 HG2 GLU A 107 7.148 -1.065 -21.556 1.00 1.63 H new ATOM 0 HG3 GLU A 107 6.927 0.217 -20.382 1.00 1.63 H new ATOM 1792 N GLU A 108 6.393 -0.582 -18.244 1.00 0.67 N ATOM 1793 CA GLU A 108 5.637 0.165 -17.241 1.00 0.66 C ATOM 1794 C GLU A 108 5.257 -0.745 -16.080 1.00 0.58 C ATOM 1795 O GLU A 108 5.257 -0.335 -14.918 1.00 0.54 O ATOM 1796 CB GLU A 108 4.374 0.765 -17.868 1.00 0.76 C ATOM 1797 CG GLU A 108 3.571 1.650 -16.923 1.00 1.46 C ATOM 1798 CD GLU A 108 4.224 2.997 -16.679 1.00 2.09 C ATOM 1799 OE1 GLU A 108 5.322 3.024 -16.086 1.00 2.78 O ATOM 1800 OE2 GLU A 108 3.640 4.030 -17.067 1.00 2.40 O ATOM 0 H GLU A 108 5.962 -0.593 -19.168 1.00 0.67 H new ATOM 0 HA GLU A 108 6.264 0.973 -16.865 1.00 0.66 H new ATOM 0 HB2 GLU A 108 4.658 1.350 -18.743 1.00 0.76 H new ATOM 0 HB3 GLU A 108 3.736 -0.045 -18.220 1.00 0.76 H new ATOM 0 HG2 GLU A 108 2.574 1.804 -17.337 1.00 1.46 H new ATOM 0 HG3 GLU A 108 3.444 1.135 -15.971 1.00 1.46 H new ATOM 1807 N LYS A 109 4.930 -1.987 -16.403 1.00 0.59 N ATOM 1808 CA LYS A 109 4.576 -2.982 -15.407 1.00 0.55 C ATOM 1809 C LYS A 109 5.767 -3.283 -14.495 1.00 0.51 C ATOM 1810 O LYS A 109 5.632 -3.318 -13.274 1.00 0.48 O ATOM 1811 CB LYS A 109 4.095 -4.256 -16.099 1.00 0.58 C ATOM 1812 CG LYS A 109 2.877 -4.044 -16.984 1.00 0.65 C ATOM 1813 CD LYS A 109 2.402 -5.343 -17.608 1.00 1.22 C ATOM 1814 CE LYS A 109 1.369 -5.106 -18.694 1.00 1.11 C ATOM 1815 NZ LYS A 109 1.065 -6.351 -19.447 1.00 1.81 N ATOM 0 H LYS A 109 4.903 -2.332 -17.363 1.00 0.59 H new ATOM 0 HA LYS A 109 3.770 -2.588 -14.788 1.00 0.55 H new ATOM 0 HB2 LYS A 109 4.907 -4.660 -16.703 1.00 0.58 H new ATOM 0 HB3 LYS A 109 3.858 -5.004 -15.342 1.00 0.58 H new ATOM 0 HG2 LYS A 109 2.071 -3.608 -16.394 1.00 0.65 H new ATOM 0 HG3 LYS A 109 3.119 -3.330 -17.771 1.00 0.65 H new ATOM 0 HD2 LYS A 109 3.254 -5.877 -18.028 1.00 1.22 H new ATOM 0 HD3 LYS A 109 1.976 -5.982 -16.835 1.00 1.22 H new ATOM 0 HE2 LYS A 109 0.453 -4.719 -18.247 1.00 1.11 H new ATOM 0 HE3 LYS A 109 1.734 -4.344 -19.383 1.00 1.11 H new ATOM 0 HZ1 LYS A 109 0.420 -6.132 -20.233 1.00 1.81 H new ATOM 0 HZ2 LYS A 109 1.947 -6.753 -19.824 1.00 1.81 H new ATOM 0 HZ3 LYS A 109 0.615 -7.040 -18.811 1.00 1.81 H new ATOM 1829 N LYS A 110 6.938 -3.468 -15.093 1.00 0.53 N ATOM 1830 CA LYS A 110 8.155 -3.754 -14.328 1.00 0.53 C ATOM 1831 C LYS A 110 8.611 -2.553 -13.505 1.00 0.51 C ATOM 1832 O LYS A 110 9.391 -2.685 -12.559 1.00 0.51 O ATOM 1833 CB LYS A 110 9.310 -4.140 -15.249 1.00 0.56 C ATOM 1834 CG LYS A 110 9.134 -5.445 -16.001 1.00 0.62 C ATOM 1835 CD LYS A 110 10.421 -5.822 -16.727 1.00 0.80 C ATOM 1836 CE LYS A 110 10.782 -4.806 -17.801 1.00 0.81 C ATOM 1837 NZ LYS A 110 12.089 -5.111 -18.441 1.00 1.14 N ATOM 0 H LYS A 110 7.075 -3.426 -16.103 1.00 0.53 H new ATOM 0 HA LYS A 110 7.900 -4.580 -13.665 1.00 0.53 H new ATOM 0 HB2 LYS A 110 9.457 -3.340 -15.974 1.00 0.56 H new ATOM 0 HB3 LYS A 110 10.221 -4.203 -14.654 1.00 0.56 H new ATOM 0 HG2 LYS A 110 8.856 -6.237 -15.306 1.00 0.62 H new ATOM 0 HG3 LYS A 110 8.319 -5.351 -16.719 1.00 0.62 H new ATOM 0 HD2 LYS A 110 11.236 -5.895 -16.007 1.00 0.80 H new ATOM 0 HD3 LYS A 110 10.307 -6.806 -17.181 1.00 0.80 H new ATOM 0 HE2 LYS A 110 10.001 -4.790 -18.561 1.00 0.81 H new ATOM 0 HE3 LYS A 110 10.818 -3.810 -17.360 1.00 0.81 H new ATOM 0 HZ1 LYS A 110 12.296 -4.395 -19.166 1.00 1.14 H new ATOM 0 HZ2 LYS A 110 12.839 -5.101 -17.721 1.00 1.14 H new ATOM 0 HZ3 LYS A 110 12.047 -6.051 -18.885 1.00 1.14 H new ATOM 1851 N GLN A 111 8.092 -1.388 -13.861 1.00 0.51 N ATOM 1852 CA GLN A 111 8.282 -0.205 -13.034 1.00 0.51 C ATOM 1853 C GLN A 111 7.567 -0.390 -11.699 1.00 0.50 C ATOM 1854 O GLN A 111 8.088 -0.014 -10.657 1.00 0.51 O ATOM 1855 CB GLN A 111 7.778 1.055 -13.741 1.00 0.52 C ATOM 1856 CG GLN A 111 8.625 1.470 -14.935 1.00 1.08 C ATOM 1857 CD GLN A 111 10.052 1.811 -14.546 1.00 1.23 C ATOM 1858 OE1 GLN A 111 10.364 2.959 -14.219 1.00 1.69 O ATOM 1859 NE2 GLN A 111 10.932 0.823 -14.584 1.00 1.61 N ATOM 0 H GLN A 111 7.542 -1.236 -14.707 1.00 0.51 H new ATOM 0 HA GLN A 111 9.350 -0.078 -12.856 1.00 0.51 H new ATOM 0 HB2 GLN A 111 6.754 0.888 -14.074 1.00 0.52 H new ATOM 0 HB3 GLN A 111 7.750 1.876 -13.024 1.00 0.52 H new ATOM 0 HG2 GLN A 111 8.635 0.663 -15.667 1.00 1.08 H new ATOM 0 HG3 GLN A 111 8.168 2.333 -15.418 1.00 1.08 H new ATOM 0 HE21 GLN A 111 10.636 -0.113 -14.860 1.00 1.61 H new ATOM 0 HE22 GLN A 111 11.906 0.998 -14.338 1.00 1.61 H new ATOM 1868 N TYR A 112 6.391 -1.011 -11.735 1.00 0.50 N ATOM 1869 CA TYR A 112 5.642 -1.308 -10.514 1.00 0.49 C ATOM 1870 C TYR A 112 6.323 -2.423 -9.743 1.00 0.49 C ATOM 1871 O TYR A 112 6.286 -2.448 -8.521 1.00 0.50 O ATOM 1872 CB TYR A 112 4.196 -1.690 -10.834 1.00 0.49 C ATOM 1873 CG TYR A 112 3.435 -0.594 -11.541 1.00 0.57 C ATOM 1874 CD1 TYR A 112 3.381 0.687 -11.019 1.00 0.70 C ATOM 1875 CD2 TYR A 112 2.762 -0.849 -12.732 1.00 0.66 C ATOM 1876 CE1 TYR A 112 2.677 1.689 -11.660 1.00 0.82 C ATOM 1877 CE2 TYR A 112 2.055 0.147 -13.377 1.00 0.75 C ATOM 1878 CZ TYR A 112 2.053 1.432 -12.849 1.00 0.80 C ATOM 1879 OH TYR A 112 1.307 2.409 -13.473 1.00 0.92 O ATOM 0 H TYR A 112 5.935 -1.319 -12.594 1.00 0.50 H new ATOM 0 HA TYR A 112 5.624 -0.409 -9.898 1.00 0.49 H new ATOM 0 HB2 TYR A 112 4.192 -2.585 -11.455 1.00 0.49 H new ATOM 0 HB3 TYR A 112 3.680 -1.943 -9.908 1.00 0.49 H new ATOM 0 HD1 TYR A 112 3.897 0.907 -10.096 1.00 0.70 H new ATOM 0 HD2 TYR A 112 2.793 -1.841 -13.159 1.00 0.66 H new ATOM 0 HE1 TYR A 112 2.620 2.674 -11.222 1.00 0.82 H new ATOM 0 HE2 TYR A 112 1.509 -0.071 -14.283 1.00 0.75 H new ATOM 0 HH TYR A 112 0.936 2.054 -14.307 1.00 0.92 H new ATOM 1889 N ILE A 113 6.959 -3.338 -10.466 1.00 0.49 N ATOM 1890 CA ILE A 113 7.703 -4.418 -9.833 1.00 0.51 C ATOM 1891 C ILE A 113 8.876 -3.866 -9.007 1.00 0.53 C ATOM 1892 O ILE A 113 9.104 -4.289 -7.875 1.00 0.54 O ATOM 1893 CB ILE A 113 8.239 -5.418 -10.875 1.00 0.57 C ATOM 1894 CG1 ILE A 113 7.072 -6.036 -11.642 1.00 0.63 C ATOM 1895 CG2 ILE A 113 9.075 -6.501 -10.200 1.00 0.59 C ATOM 1896 CD1 ILE A 113 7.495 -7.066 -12.660 1.00 0.72 C ATOM 0 H ILE A 113 6.974 -3.353 -11.486 1.00 0.49 H new ATOM 0 HA ILE A 113 7.011 -4.939 -9.171 1.00 0.51 H new ATOM 0 HB ILE A 113 8.882 -4.888 -11.578 1.00 0.57 H new ATOM 0 HG12 ILE A 113 6.387 -6.499 -10.932 1.00 0.63 H new ATOM 0 HG13 ILE A 113 6.520 -5.243 -12.147 1.00 0.63 H new ATOM 0 HG21 ILE A 113 9.444 -7.197 -10.953 1.00 0.59 H new ATOM 0 HG22 ILE A 113 9.919 -6.041 -9.686 1.00 0.59 H new ATOM 0 HG23 ILE A 113 8.460 -7.039 -9.479 1.00 0.59 H new ATOM 0 HD11 ILE A 113 6.614 -7.461 -13.165 1.00 0.72 H new ATOM 0 HD12 ILE A 113 8.156 -6.603 -13.392 1.00 0.72 H new ATOM 0 HD13 ILE A 113 8.021 -7.879 -12.159 1.00 0.72 H new ATOM 1908 N ALA A 114 9.609 -2.919 -9.588 1.00 0.56 N ATOM 1909 CA ALA A 114 10.763 -2.299 -8.927 1.00 0.59 C ATOM 1910 C ALA A 114 10.323 -1.257 -7.896 1.00 0.59 C ATOM 1911 O ALA A 114 10.859 -1.204 -6.792 1.00 0.60 O ATOM 1912 CB ALA A 114 11.663 -1.656 -9.972 1.00 0.63 C ATOM 0 H ALA A 114 9.424 -2.559 -10.524 1.00 0.56 H new ATOM 0 HA ALA A 114 11.314 -3.076 -8.398 1.00 0.59 H new ATOM 0 HB1 ALA A 114 12.520 -1.196 -9.480 1.00 0.63 H new ATOM 0 HB2 ALA A 114 12.011 -2.417 -10.670 1.00 0.63 H new ATOM 0 HB3 ALA A 114 11.104 -0.894 -10.515 1.00 0.63 H new ATOM 1918 N ASP A 115 9.345 -0.450 -8.257 1.00 0.61 N ATOM 1919 CA ASP A 115 8.948 0.673 -7.405 1.00 0.66 C ATOM 1920 C ASP A 115 8.078 0.199 -6.248 1.00 0.60 C ATOM 1921 O ASP A 115 8.379 0.435 -5.080 1.00 0.59 O ATOM 1922 CB ASP A 115 8.202 1.727 -8.232 1.00 0.77 C ATOM 1923 CG ASP A 115 7.952 3.020 -7.476 1.00 1.03 C ATOM 1924 OD1 ASP A 115 6.994 3.068 -6.670 1.00 1.73 O ATOM 1925 OD2 ASP A 115 8.725 3.978 -7.658 1.00 1.20 O ATOM 0 H ASP A 115 8.811 -0.542 -9.122 1.00 0.61 H new ATOM 0 HA ASP A 115 9.851 1.121 -6.990 1.00 0.66 H new ATOM 0 HB2 ASP A 115 8.777 1.946 -9.132 1.00 0.77 H new ATOM 0 HB3 ASP A 115 7.247 1.314 -8.557 1.00 0.77 H new ATOM 1930 N PHE A 116 7.017 -0.493 -6.593 1.00 0.60 N ATOM 1931 CA PHE A 116 6.022 -0.878 -5.607 1.00 0.60 C ATOM 1932 C PHE A 116 6.178 -2.338 -5.151 1.00 0.56 C ATOM 1933 O PHE A 116 5.721 -2.707 -4.065 1.00 0.55 O ATOM 1934 CB PHE A 116 4.632 -0.583 -6.167 1.00 0.68 C ATOM 1935 CG PHE A 116 3.508 -1.104 -5.337 1.00 0.53 C ATOM 1936 CD1 PHE A 116 3.198 -0.526 -4.119 1.00 1.11 C ATOM 1937 CD2 PHE A 116 2.765 -2.176 -5.783 1.00 1.01 C ATOM 1938 CE1 PHE A 116 2.156 -1.012 -3.356 1.00 1.62 C ATOM 1939 CE2 PHE A 116 1.722 -2.670 -5.027 1.00 1.29 C ATOM 1940 CZ PHE A 116 1.417 -2.086 -3.812 1.00 1.52 C ATOM 0 H PHE A 116 6.817 -0.802 -7.544 1.00 0.60 H new ATOM 0 HA PHE A 116 6.171 -0.286 -4.704 1.00 0.60 H new ATOM 0 HB2 PHE A 116 4.519 0.496 -6.274 1.00 0.68 H new ATOM 0 HB3 PHE A 116 4.558 -1.012 -7.166 1.00 0.68 H new ATOM 0 HD1 PHE A 116 3.777 0.313 -3.762 1.00 1.11 H new ATOM 0 HD2 PHE A 116 3.001 -2.633 -6.732 1.00 1.01 H new ATOM 0 HE1 PHE A 116 1.919 -0.555 -2.407 1.00 1.62 H new ATOM 0 HE2 PHE A 116 1.145 -3.511 -5.384 1.00 1.29 H new ATOM 0 HZ PHE A 116 0.600 -2.470 -3.219 1.00 1.52 H new ATOM 1950 N GLY A 117 6.830 -3.150 -5.975 1.00 0.55 N ATOM 1951 CA GLY A 117 6.925 -4.586 -5.730 1.00 0.56 C ATOM 1952 C GLY A 117 7.403 -4.963 -4.331 1.00 0.54 C ATOM 1953 O GLY A 117 6.668 -5.624 -3.594 1.00 0.55 O ATOM 0 H GLY A 117 7.303 -2.837 -6.823 1.00 0.55 H new ATOM 0 HA2 GLY A 117 5.946 -5.035 -5.898 1.00 0.56 H new ATOM 0 HA3 GLY A 117 7.606 -5.022 -6.462 1.00 0.56 H new ATOM 1957 N PRO A 118 8.631 -4.568 -3.936 1.00 0.52 N ATOM 1958 CA PRO A 118 9.206 -4.923 -2.628 1.00 0.53 C ATOM 1959 C PRO A 118 8.271 -4.636 -1.454 1.00 0.46 C ATOM 1960 O PRO A 118 8.161 -5.432 -0.521 1.00 0.45 O ATOM 1961 CB PRO A 118 10.444 -4.034 -2.536 1.00 0.54 C ATOM 1962 CG PRO A 118 10.847 -3.805 -3.950 1.00 0.65 C ATOM 1963 CD PRO A 118 9.569 -3.759 -4.742 1.00 0.53 C ATOM 0 HA PRO A 118 9.409 -5.992 -2.565 1.00 0.53 H new ATOM 0 HB2 PRO A 118 10.221 -3.095 -2.030 1.00 0.54 H new ATOM 0 HB3 PRO A 118 11.240 -4.519 -1.971 1.00 0.54 H new ATOM 0 HG2 PRO A 118 11.403 -2.873 -4.051 1.00 0.65 H new ATOM 0 HG3 PRO A 118 11.498 -4.604 -4.305 1.00 0.65 H new ATOM 0 HD2 PRO A 118 9.212 -2.737 -4.867 1.00 0.53 H new ATOM 0 HD3 PRO A 118 9.701 -4.175 -5.741 1.00 0.53 H new ATOM 1971 N ALA A 119 7.592 -3.504 -1.506 1.00 0.46 N ATOM 1972 CA ALA A 119 6.694 -3.100 -0.435 1.00 0.42 C ATOM 1973 C ALA A 119 5.371 -3.852 -0.497 1.00 0.44 C ATOM 1974 O ALA A 119 4.780 -4.177 0.533 1.00 0.43 O ATOM 1975 CB ALA A 119 6.436 -1.606 -0.507 1.00 0.41 C ATOM 0 H ALA A 119 7.645 -2.844 -2.282 1.00 0.46 H new ATOM 0 HA ALA A 119 7.178 -3.344 0.511 1.00 0.42 H new ATOM 0 HB1 ALA A 119 5.763 -1.314 0.299 1.00 0.41 H new ATOM 0 HB2 ALA A 119 7.379 -1.069 -0.405 1.00 0.41 H new ATOM 0 HB3 ALA A 119 5.981 -1.361 -1.467 1.00 0.41 H new ATOM 1981 N CYS A 120 4.931 -4.165 -1.708 1.00 0.47 N ATOM 1982 CA CYS A 120 3.777 -5.031 -1.914 1.00 0.50 C ATOM 1983 C CYS A 120 3.993 -6.388 -1.243 1.00 0.52 C ATOM 1984 O CYS A 120 3.043 -7.027 -0.791 1.00 0.53 O ATOM 1985 CB CYS A 120 3.532 -5.225 -3.414 1.00 0.56 C ATOM 1986 SG CYS A 120 2.187 -6.388 -3.814 1.00 1.17 S ATOM 0 H CYS A 120 5.360 -3.829 -2.570 1.00 0.47 H new ATOM 0 HA CYS A 120 2.905 -4.557 -1.464 1.00 0.50 H new ATOM 0 HB2 CYS A 120 3.304 -4.257 -3.860 1.00 0.56 H new ATOM 0 HB3 CYS A 120 4.453 -5.580 -3.877 1.00 0.56 H new ATOM 1991 N LYS A 121 5.251 -6.817 -1.169 1.00 0.54 N ATOM 1992 CA LYS A 121 5.592 -8.097 -0.556 1.00 0.58 C ATOM 1993 C LYS A 121 5.181 -8.134 0.916 1.00 0.59 C ATOM 1994 O LYS A 121 4.527 -9.080 1.346 1.00 0.65 O ATOM 1995 CB LYS A 121 7.092 -8.376 -0.696 1.00 0.63 C ATOM 1996 CG LYS A 121 7.602 -8.256 -2.126 1.00 1.01 C ATOM 1997 CD LYS A 121 6.911 -9.234 -3.067 1.00 1.04 C ATOM 1998 CE LYS A 121 7.407 -10.656 -2.866 1.00 1.37 C ATOM 1999 NZ LYS A 121 8.854 -10.780 -3.181 1.00 1.47 N ATOM 0 H LYS A 121 6.051 -6.296 -1.527 1.00 0.54 H new ATOM 0 HA LYS A 121 5.039 -8.876 -1.080 1.00 0.58 H new ATOM 0 HB2 LYS A 121 7.643 -7.681 -0.063 1.00 0.63 H new ATOM 0 HB3 LYS A 121 7.303 -9.380 -0.327 1.00 0.63 H new ATOM 0 HG2 LYS A 121 7.444 -7.238 -2.482 1.00 1.01 H new ATOM 0 HG3 LYS A 121 8.677 -8.436 -2.143 1.00 1.01 H new ATOM 0 HD2 LYS A 121 5.834 -9.198 -2.902 1.00 1.04 H new ATOM 0 HD3 LYS A 121 7.086 -8.930 -4.099 1.00 1.04 H new ATOM 0 HE2 LYS A 121 7.231 -10.961 -1.834 1.00 1.37 H new ATOM 0 HE3 LYS A 121 6.836 -11.334 -3.501 1.00 1.37 H new ATOM 0 HZ1 LYS A 121 9.085 -11.777 -3.365 1.00 1.47 H new ATOM 0 HZ2 LYS A 121 9.076 -10.212 -4.023 1.00 1.47 H new ATOM 0 HZ3 LYS A 121 9.415 -10.438 -2.375 1.00 1.47 H new ATOM 2013 N LYS A 122 5.572 -7.118 1.692 1.00 0.54 N ATOM 2014 CA LYS A 122 5.141 -7.050 3.091 1.00 0.55 C ATOM 2015 C LYS A 122 3.621 -6.870 3.145 1.00 0.53 C ATOM 2016 O LYS A 122 2.985 -7.239 4.132 1.00 0.57 O ATOM 2017 CB LYS A 122 5.856 -5.932 3.866 1.00 0.52 C ATOM 2018 CG LYS A 122 5.434 -4.521 3.488 1.00 0.46 C ATOM 2019 CD LYS A 122 6.000 -3.497 4.461 1.00 0.47 C ATOM 2020 CE LYS A 122 7.516 -3.406 4.382 1.00 1.15 C ATOM 2021 NZ LYS A 122 8.076 -2.540 5.453 1.00 1.50 N ATOM 0 H LYS A 122 6.170 -6.351 1.386 1.00 0.54 H new ATOM 0 HA LYS A 122 5.414 -7.986 3.578 1.00 0.55 H new ATOM 0 HB2 LYS A 122 5.677 -6.076 4.931 1.00 0.52 H new ATOM 0 HB3 LYS A 122 6.930 -6.029 3.707 1.00 0.52 H new ATOM 0 HG2 LYS A 122 5.776 -4.295 2.478 1.00 0.46 H new ATOM 0 HG3 LYS A 122 4.346 -4.454 3.478 1.00 0.46 H new ATOM 0 HD2 LYS A 122 5.568 -2.519 4.249 1.00 0.47 H new ATOM 0 HD3 LYS A 122 5.706 -3.762 5.477 1.00 0.47 H new ATOM 0 HE2 LYS A 122 7.944 -4.405 4.462 1.00 1.15 H new ATOM 0 HE3 LYS A 122 7.806 -3.012 3.408 1.00 1.15 H new ATOM 0 HZ1 LYS A 122 9.112 -2.504 5.364 1.00 1.50 H new ATOM 0 HZ2 LYS A 122 7.687 -1.580 5.362 1.00 1.50 H new ATOM 0 HZ3 LYS A 122 7.821 -2.930 6.383 1.00 1.50 H new ATOM 2035 N ILE A 123 3.048 -6.270 2.110 1.00 0.49 N ATOM 2036 CA ILE A 123 1.611 -6.024 2.080 1.00 0.48 C ATOM 2037 C ILE A 123 0.792 -7.315 2.013 1.00 0.51 C ATOM 2038 O ILE A 123 -0.157 -7.542 2.763 1.00 0.54 O ATOM 2039 CB ILE A 123 1.213 -5.108 0.918 1.00 0.46 C ATOM 2040 CG1 ILE A 123 1.769 -3.707 1.165 1.00 0.44 C ATOM 2041 CG2 ILE A 123 -0.302 -5.072 0.772 1.00 0.47 C ATOM 2042 CD1 ILE A 123 1.404 -2.715 0.093 1.00 0.44 C ATOM 0 H ILE A 123 3.552 -5.946 1.284 1.00 0.49 H new ATOM 0 HA ILE A 123 1.382 -5.525 3.021 1.00 0.48 H new ATOM 0 HB ILE A 123 1.632 -5.495 -0.011 1.00 0.46 H new ATOM 0 HG12 ILE A 123 1.402 -3.344 2.125 1.00 0.44 H new ATOM 0 HG13 ILE A 123 2.855 -3.764 1.240 1.00 0.44 H new ATOM 0 HG21 ILE A 123 -0.572 -4.418 -0.057 1.00 0.47 H new ATOM 0 HG22 ILE A 123 -0.673 -6.078 0.576 1.00 0.47 H new ATOM 0 HG23 ILE A 123 -0.747 -4.694 1.692 1.00 0.47 H new ATOM 0 HD11 ILE A 123 1.833 -1.743 0.336 1.00 0.44 H new ATOM 0 HD12 ILE A 123 1.795 -3.055 -0.866 1.00 0.44 H new ATOM 0 HD13 ILE A 123 0.319 -2.628 0.032 1.00 0.44 H new ATOM 2054 N TYR A 124 1.236 -8.162 1.092 1.00 0.52 N ATOM 2055 CA TYR A 124 0.772 -9.537 0.920 1.00 0.58 C ATOM 2056 C TYR A 124 1.459 -10.464 1.920 1.00 0.64 C ATOM 2057 O TYR A 124 1.390 -11.679 1.771 1.00 0.82 O ATOM 2058 CB TYR A 124 1.012 -10.016 -0.514 1.00 0.59 C ATOM 2059 CG TYR A 124 -0.167 -9.769 -1.429 1.00 0.63 C ATOM 2060 CD1 TYR A 124 -0.507 -8.485 -1.833 1.00 0.95 C ATOM 2061 CD2 TYR A 124 -0.943 -10.826 -1.886 1.00 1.14 C ATOM 2062 CE1 TYR A 124 -1.589 -8.262 -2.661 1.00 1.05 C ATOM 2063 CE2 TYR A 124 -2.024 -10.610 -2.717 1.00 1.28 C ATOM 2064 CZ TYR A 124 -2.344 -9.325 -3.101 1.00 0.95 C ATOM 2065 OH TYR A 124 -3.426 -9.103 -3.924 1.00 1.17 O ATOM 0 H TYR A 124 1.956 -7.902 0.418 1.00 0.52 H new ATOM 0 HA TYR A 124 -0.301 -9.561 1.111 1.00 0.58 H new ATOM 0 HB2 TYR A 124 1.889 -9.510 -0.917 1.00 0.59 H new ATOM 0 HB3 TYR A 124 1.237 -11.082 -0.501 1.00 0.59 H new ATOM 0 HD1 TYR A 124 0.084 -7.647 -1.494 1.00 0.95 H new ATOM 0 HD2 TYR A 124 -0.697 -11.834 -1.586 1.00 1.14 H new ATOM 0 HE1 TYR A 124 -1.842 -7.256 -2.962 1.00 1.05 H new ATOM 0 HE2 TYR A 124 -2.616 -11.444 -3.065 1.00 1.28 H new ATOM 0 HH TYR A 124 -3.850 -9.958 -4.144 1.00 1.17 H new ATOM 2075 N GLY A 125 1.929 -9.839 3.006 1.00 0.73 N ATOM 2076 CA GLY A 125 3.099 -10.198 3.843 1.00 0.86 C ATOM 2077 C GLY A 125 3.677 -11.609 3.777 1.00 0.71 C ATOM 2078 O GLY A 125 4.154 -12.114 4.792 1.00 0.78 O ATOM 0 H GLY A 125 1.469 -8.999 3.358 1.00 0.73 H new ATOM 0 HA2 GLY A 125 3.903 -9.506 3.592 1.00 0.86 H new ATOM 0 HA3 GLY A 125 2.827 -10.007 4.881 1.00 0.86 H new ATOM 2082 N VAL A 126 3.584 -12.241 2.622 1.00 0.71 N ATOM 2083 CA VAL A 126 4.270 -13.502 2.322 1.00 0.84 C ATOM 2084 C VAL A 126 5.732 -13.487 2.797 1.00 0.99 C ATOM 2085 O VAL A 126 6.645 -13.107 2.055 1.00 1.53 O ATOM 2086 CB VAL A 126 4.222 -13.808 0.801 1.00 0.93 C ATOM 2087 CG1 VAL A 126 2.833 -14.264 0.386 1.00 1.38 C ATOM 2088 CG2 VAL A 126 4.631 -12.591 -0.021 1.00 0.98 C ATOM 0 H VAL A 126 3.021 -11.893 1.846 1.00 0.71 H new ATOM 0 HA VAL A 126 3.743 -14.286 2.866 1.00 0.84 H new ATOM 0 HB VAL A 126 4.932 -14.612 0.607 1.00 0.93 H new ATOM 0 HG11 VAL A 126 2.823 -14.473 -0.684 1.00 1.38 H new ATOM 0 HG12 VAL A 126 2.568 -15.168 0.935 1.00 1.38 H new ATOM 0 HG13 VAL A 126 2.111 -13.479 0.609 1.00 1.38 H new ATOM 0 HG21 VAL A 126 4.587 -12.837 -1.082 1.00 0.98 H new ATOM 0 HG22 VAL A 126 3.951 -11.765 0.188 1.00 0.98 H new ATOM 0 HG23 VAL A 126 5.648 -12.299 0.242 1.00 0.98 H new